Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T43332 Target Info
Target Name Coagulation factor VII (F7)
Synonyms Serum prothrombin conversion accelerator; SPCA; Proconvertin; Eptacog alfa
Target Type Successful Target
Gene Name F7
Biochemical Class Peptidase
UniProt ID
FA7_HUMAN
Ligand General Information  Top
Ligand Name alpha-L-Fucose Ligand Info
Canonical SMILES CC1C(C(C(C(O1)O)O)O)O
InChI 1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKey SHZGCJCMOBCMKK-SXUWKVJYSA-N
PubChem Compound ID 439554
Drug Binding Sites of Target  Top
PDB ID: 2C4F      crystal structure of factor VII.stf complexed with pd0297121
Method X-ray diffraction Resolution 1.72 Å Mutation No [1]
PDB Sequence
FLLRPGSLRC
17
KQCSFARIFK
32
DARTKLFWIS
43
YSDGDQCASS
53
PCQNGGSCKD
63

QLQSYICFCL
73
PAFEGRNCET
83
HKDDQLICVN
93
ENGGCEQYCS
103
DHTGTKRSCR
113

CHEGYSLLAD
123
GVSCTPTVEY
133
PCGKIPILE
Residue
Distance (Å)
GLY58
3.537
GLY59
3.654
SER60
2.475
Residue
Distance (Å)
PHE71
3.405
CYS72
4.042
LEU73
3.503
PDB ID: 3TH2      Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+
Method X-ray diffraction Resolution 1.72 Å Mutation No [2]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Residue
Distance (Å)
GLY58
3.561
GLY59
4.166
SER60
1.450
Residue
Distance (Å)
PHE71
3.567
CYS72
3.865
LEU73
3.727
PDB ID: 2A2Q      Complex of Active-site Inhibited Human Coagulation Factor VIIa with Human Soluble Tissue Factor in the Presence of Ca2+, Mg2+, Na+, and Zn2+
Method X-ray diffraction Resolution 1.80 Å Mutation Yes [3]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Residue
Distance (Å)
GLY58
3.792
GLY59
4.340
SER60
1.373
Residue
Distance (Å)
PHE71
4.032
CYS72
4.013
LEU73
3.786
PDB ID: 3TH4      Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+
Method X-ray diffraction Resolution 1.80 Å Mutation No [4]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.467
GLY59
4.162
SER60
1.463
Residue
Distance (Å)
PHE71
3.397
CYS72
3.677
LEU73
3.716
PDB ID: 4IBL      Rubidium Sites in Blood Coagulation Factor VIIa
Method X-ray diffraction Resolution 1.80 Å Mutation No [5]
PDB Sequence
AFLLRPGSLR
15
CKQCSFARIF
31
KDARTKLFWI
42
SYSDGDQCAS
52
SPCQNGGSCK
62

DQLQSYICFC
72
LPAFEGRNCE
82
THKDDQLICV
92
NENGGCEQYC
102
SDHTGTKRSC
112

RCHEGYSLLA
122
DGVSCTPTVE
132
YPCGKIPILE
142
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.664
GLY59
4.194
SER60
1.421
Residue
Distance (Å)
PHE71
3.767
CYS72
4.244
LEU73
4.081
PDB ID: 2AER      Crystal Structure of Benzamidine-Factor VIIa/Soluble Tissue Factor complex.
Method X-ray diffraction Resolution 1.87 Å Mutation Yes [3]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.260
GLY59
4.388
SER60
2.403
Residue
Distance (Å)
PHE71
3.494
CYS72
3.709
LEU73
3.634
PDB ID: 1DAN      Complex of active site inhibited human blood coagulation factor VIIA with human recombinant soluble tissue factor
Method X-ray diffraction Resolution 2.00 Å Mutation No [6]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.755
GLY59
4.362
SER60
1.418
Residue
Distance (Å)
PHE71
3.349
CYS72
3.898
LEU73
4.162
PDB ID: 2EC9      Crystal structure analysis of human Factor VIIa , Souluble tissue factor complexed with BCX-3607
Method X-ray diffraction Resolution 2.00 Å Mutation No [7]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.107
GLY59
4.085
SER60
2.329
Residue
Distance (Å)
PHE71
3.319
CYS72
3.730
LEU73
3.590
PDB ID: 2FIR      Crystal structure of DFPR-VIIa/sTF
Method X-ray diffraction Resolution 2.00 Å Mutation No [3]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.424
GLY59
4.617
SER60
2.473
Residue
Distance (Å)
PHE71
3.548
CYS72
3.544
LEU73
3.826
PDB ID: 2PUQ      Crystal structure of active site inhibited coagulation factor VIIA in complex with soluble tissue factor
Method X-ray diffraction Resolution 2.05 Å Mutation No [8]
PDB Sequence
QCASSPCQNG
58
GSCKDQLQSY
68
ICFCLPAFEG
78
RNCETHKDDQ
88
LICVNENGGC
98

EQYCSDHTGT
108
KRSCRCHEGY
118
SLLADGVSCT
128
PTVEYPCGKI
138
PILE
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.167
GLY59
4.275
SER60
1.334
Residue
Distance (Å)
PHE71
3.485
CYS72
3.696
LEU73
4.342
PDB ID: 1WTG      Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-biphenylalanine-Gln-p-aminobenzamidine
Method X-ray diffraction Resolution 2.20 Å Mutation Yes [9]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.550
GLY59
4.176
SER60
1.432
Residue
Distance (Å)
PHE71
3.634
CYS72
3.482
LEU73
3.619
PDB ID: 2ZWL      Human factor viia-tissue factor complexed with highly selective peptide inhibitor
Method X-ray diffraction Resolution 2.20 Å Mutation No [10]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.503
GLY59
4.006
SER60
1.431
Residue
Distance (Å)
PHE71
3.292
CYS72
3.417
LEU73
3.514
PDB ID: 3ELA      Crystal structure of active site inhibited coagulation factor VIIA mutant in complex with soluble tissue factor
Method X-ray diffraction Resolution 2.20 Å Mutation Yes [11]
PDB Sequence
DQCASSPCQN
57
GGSCKDQLQS
67
YICFCLPAFE
77
GRNCETHKDD
87
QLICVNENGG
97

CEQYCSDHTG
107
TKRSCRCHEG
117
YSLLADGVSC
127
TPTVEYPCGK
137
IPILE
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.209
GLY59
4.180
SER60
2.668
Residue
Distance (Å)
PHE71
3.428
CYS72
3.806
LEU73
3.598
PDB ID: 1WUN      Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-Trp-Gln-p-aminobenzamidine
Method X-ray diffraction Resolution 2.40 Å Mutation Yes [12]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.523
GLY59
4.052
SER60
1.431
Residue
Distance (Å)
PHE71
3.606
CYS72
3.556
LEU73
3.836
PDB ID: 1W0Y      tf7a_3771 complex
Method X-ray diffraction Resolution 2.50 Å Mutation No [13]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDAERTKL
39
FWISYSDGDQ
49
CASSPCQNGG
59

SCKDQLQSYI
69
CFCLPAFEGR
79
NCETHKDDQL
89
ICVNENGGCE
99
QYCSDHTGTK
109

RSCRCHEGYS
119
LLADGVSCTP
129
TVEYPCGKIP
139
ILE
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.504
GLY59
4.242
SER60
1.394
Residue
Distance (Å)
PHE71
3.668
CYS72
3.375
LEU73
3.587
PDB ID: 1WQV      Human Factor Viia-Tissue Factor Complexed with propylsulfonamide-D-Thr-Met-p-aminobenzamidine
Method X-ray diffraction Resolution 2.50 Å Mutation No [14]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.745
GLY59
4.232
SER60
1.430
Residue
Distance (Å)
PHE71
3.381
CYS72
3.183
LEU73
3.723
PDB ID: 2ZZU      Human Factor VIIA-Tissue Factor Complexed with ethylsulfonamide-D-5-(3-carboxybenzyloxy)-Trp-Gln-p-aminobenzamidine
Method X-ray diffraction Resolution 2.50 Å Mutation No [15]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.553
GLY59
4.056
SER60
1.430
Residue
Distance (Å)
PHE71
3.238
CYS72
3.252
LEU73
3.699
PDB ID: 1WSS      Human Factor Viia-Tissue Factor in Complex with peptide-mimetic inhibitor that has two charged groups in P2 and P4
Method X-ray diffraction Resolution 2.60 Å Mutation No [16]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.624
GLY59
4.194
SER60
1.431
Residue
Distance (Å)
PHE71
3.587
CYS72
3.204
LEU73
3.840
PDB ID: 1WV7      Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-5-propoxy-Trp-Gln-p-aminobenzamidine
Method X-ray diffraction Resolution 2.70 Å Mutation Yes [12]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.612
GLY59
4.197
SER60
1.433
Residue
Distance (Å)
PHE71
3.316
CYS72
3.327
LEU73
3.866
PDB ID: 2ZP0      Human factor viia-tissue factor complexed with benzylsulfonamide-D-ile-gln-P-aminobenzamidine
Method X-ray diffraction Resolution 2.70 Å Mutation No [17]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.622
GLY59
4.066
SER60
1.431
Residue
Distance (Å)
PHE71
3.248
CYS72
3.162
LEU73
3.644
PDB ID: 3TH3      Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+
Method X-ray diffraction Resolution 2.70 Å Mutation No [18]
PDB Sequence
GDQCASSPCQ
56
NGGSCKDQLQ
66
SYICFCLPAF
76
EGRNCETHKD
86
DQLICVNENG
96

GCEQYCSDHT
106
GTKRSCRCHE
116
GYSLLADGVS
126
CTPTVEYPCG
136
KIPILE
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Residue
Distance (Å)
GLY58
3.921
GLY59
4.266
SER60
1.453
Residue
Distance (Å)
PHE71
4.366
CYS72
4.159
LEU73
3.363
PDB ID: 1QFK      STRUCTURE OF HUMAN FACTOR VIIA AND ITS IMPLICATIONS FOR THE TRIGGERING OF BLOOD COAGULATION
Method X-ray diffraction Resolution 2.80 Å Mutation No [19]
PDB Sequence
QCASSPCQNG
58
GSCKDQLQSY
68
ICFCLPAFEG
78
RNCETHKDDQ
88
LICVNENGGC
98

EQYCSDHTGT
108
KRSCRCHEGY
118
SLLADGVSCT
128
PTVEYPCGKI
138
PILEKR
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Residue
Distance (Å)
GLY58
3.995
SER60
1.420
Residue
Distance (Å)
PHE71
4.218
LEU73
3.812
PDB ID: 2B8O      Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor VIIa/Soluble Tissue Factor Complex
Method X-ray diffraction Resolution 2.80 Å Mutation No [20]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
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Residue
Distance (Å)
GLY58
3.749
GLY59
4.077
SER60
1.352
Residue
Distance (Å)
PHE71
4.189
CYS72
4.430
LEU73
4.286
PDB ID: 1DVA      Crystal Structure of the Complex Between the Peptide Exosite Inhibitor E-76 and Coagulation Factor VIIA
Method X-ray diffraction Resolution 3.00 Å Mutation No [21]
PDB Sequence
ISYSDGDQCA
51
SSPCQNGGSC
61
KDQLQSYICF
71
CLPAFEGRNC
81
ETHKDDQLIC
91

VNENGGCEQY
101
CSDHTGTKRS
111
CRCHEGYSLL
121
ADGVSCTPTV
131
EYPCGKIPIL
141

E
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Residue
Distance (Å)
GLY58
3.584
GLY59
3.068
SER60
1.378
CYS61
4.901
Residue
Distance (Å)
PHE71
3.392
CYS72
3.299
LEU73
4.042
GLU132
2.852
PDB ID: 1W2K      tf7a_4380 complex
Method X-ray diffraction Resolution 3.00 Å Mutation No [13]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDAERTKL
39
FWISYSDGDQ
49
CASSPCQNGG
59

SCKDQLQSYI
69
CFCLPAFEGR
79
NCETHKDDQL
89
ICVNENGGCE
99
QYCSDHTGTK
109

RSCRCHEGYS
119
LLADGVSCTP
129
TVEYPCGKIP
139
ILE
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Residue
Distance (Å)
GLY58
3.405
GLY59
4.469
SER60
1.423
Residue
Distance (Å)
PHE71
3.274
CYS72
3.613
LEU73
3.520
PDB ID: 6R2W      Crystal structure of the super-active FVIIa variant VYT in complex with tissue factor
Method X-ray diffraction Resolution 1.25 Å Mutation Yes [22]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LEK
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Residue
Distance (Å)
GLY58
2.713
GLY59
2.636
SER60
1.372
PHE71
2.559
Residue
Distance (Å)
CYS72
3.090
LEU73
2.304
PRO74
4.486
PDB ID: 4YLQ      Crystal Structure of a FVIIa-Trypsin Chimera (FT) in Complex with Soluble Tissue Factor
Method X-ray diffraction Resolution 1.40 Å Mutation Yes [23]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LEK
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Residue
Distance (Å)
GLY58
2.655
GLY59
2.671
SER60
1.376
PHE71
2.683
Residue
Distance (Å)
CYS72
3.121
LEU73
2.210
PRO74
4.449
PDB ID: 4Z6A      Crystal Structure of a FVIIa-Trypsin Chimera (YT) in Complex with Soluble Tissue Factor
Method X-ray diffraction Resolution 2.25 Å Mutation Yes [23]
PDB Sequence
DQCASSPCQN
57
GGSCKDQLQS
67
YICFCLPAFE
77
GRNCETHKDD
87
QLICVNENGG
97

CEQYCSDHTK
109
RSCRCHEGYS
119
LLADGVSCTP
129
TVEYPCGKIP
139
ILEK
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Residue
Distance (Å)
GLY58
2.580
GLY59
2.938
SER60
1.374
PHE71
2.690
Residue
Distance (Å)
CYS72
3.083
LEU73
2.240
PRO74
4.529
PDB ID: 4ZMA      Crystal Structure of a FVIIa-Trypsin Chimera (ST) in Complex with Soluble Tissue Factor
Method X-ray diffraction Resolution 2.30 Å Mutation Yes [23]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHKRSCR
113

CHEGYSLLAD
123
GVSCTPTVEY
133
PCGKIPILEK
143
R
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .L:58 or .L:59 or .L:60 or .L:71 or .L:72 or .L:73 or .L:74; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
2.599
GLY59
2.530
SER60
1.373
PHE71
2.515
Residue
Distance (Å)
CYS72
3.088
LEU73
2.402
PRO74
4.442
PDB ID: 1FAK      HUMAN TISSUE FACTOR COMPLEXED WITH COAGULATION FACTOR VIIA INHIBITED WITH A BPTI-MUTANT
Method X-ray diffraction Resolution 2.10 Å Mutation No [24]
PDB Sequence
RTKLFWISYS
45
DGDQCASSPC
55
QNGGSCKDQL
65
QSYICFCLPA
75
FEGRNCETHK
85

DDQLICVNEN
95
GGCEQYCSDH
105
TGTKRSCRCH
115
EGYSLLADGV
125
SCTPTVEYPC
135

GKIPILEK
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Residue
Distance (Å)
GLY58
2.914
GLY59
4.222
SER60
1.415
Residue
Distance (Å)
PHE71
3.861
CYS72
3.864
LEU73
3.718
PDB ID: 1FF7      THE FIRST EGF-LIKE DOMAIN FROM HUMAN BLOOD COAGULATION FVII (FUCOSYLATED AT SER-60), NMR, 20 STRUCTURES
Method Solution NMR Resolution N.A. Mutation No [25]
PDB Sequence
SDGDQCASSP
54
CQNGGSCKDQ
64
LQSYICFCLP
74
AFEGRNCETH
84
KDDGSA
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Residue
Distance (Å)
GLY58
2.753
GLY59
3.886
SER60
1.398
Residue
Distance (Å)
PHE71
2.243
CYS72
3.093
LEU73
2.806
PDB ID: 1FFM      THE FIRST EGF-LIKE DOMAIN FROM HUMAN BLOOD COAGULATION FVII (FUCOSYLATED AT SER-60), NMR, MINIMIZED AVERAGE STRUCTURE
Method Solution NMR Resolution N.A. Mutation No [25]
PDB Sequence
SDGDQCASSP
54
CQNGGSCKDQ
64
LQSYICFCLP
74
AFEGRNCETH
84
KDDGSA
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .A:58 or .A:59 or .A:60 or .A:71 or .A:72 or .A:73; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY58
3.316
GLY59
3.556
SER60
1.398
Residue
Distance (Å)
PHE71
2.164
CYS72
2.391
LEU73
3.103
References  Top
REF 1 The discovery of fluoropyridine-based inhibitors of the factor VIIa/TF complex--Part 2. Bioorg Med Chem Lett. 2006 Feb 15;16(4):1060-4.
REF 2 Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla)
REF 3 High resolution structures of p-aminobenzamidine- and benzamidine-VIIa/soluble tissue factor: unpredicted conformation of the 192-193 peptide bond and mapping of Ca2+, Mg2+, Na+, and Zn2+ sites in factor VIIa. J Biol Chem. 2006 Aug 25;281(34):24873-88.
REF 4 Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla)
REF 5 Structure of human factor VIIa-soluble tissue factor with calcium, magnesium and rubidium. doi:10.1107/S2059798321003922.
REF 6 The crystal structure of the complex of blood coagulation factor VIIa with soluble tissue factor. Nature. 1996 Mar 7;380(6569):41-6.
REF 7 Probing the S2 site of factor VIIa to generate potent and selective inhibitors: the structure of BCX-3607 in complex with tissue factor-factor VIIa. Acta Crystallogr D Biol Crystallogr. 2007 Jun;63(Pt 6):689-97.
REF 8 Engineering the substrate and inhibitor specificities of human coagulation Factor VIIa. Biochem J. 2007 Aug 1;405(3):429-38.
REF 9 Novel interactions of large P3 moiety and small P4 moiety in the binding of the peptide mimetic factor VIIa inhibitor. Biochem Biophys Res Commun. 2005 Jan 28;326(4):859-65.
REF 10 Human factor viia-tissue factor complexed with highly selective peptide inhibitor
REF 11 Mechanism of the Ca2+-induced enhancement of the intrinsic factor VIIa activity. J Biol Chem. 2008 Sep 19;283(38):25863-70.
REF 12 Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor. Biochem Biophys Res Commun. 2005 Feb 11;327(2):589-96.
REF 13 Design of selective phenylglycine amide tissue factor/factor VIIa inhibitors. Bioorg Med Chem Lett. 2005 Feb 1;15(3):817-22.
REF 14 Crystal structure of human factor VIIa/tissue factor in complex with peptide mimetic inhibitor. Biochem Biophys Res Commun. 2004 Nov 26;324(4):1227-33.
REF 15 Design and synthesis of peptidomimetic factor VIIa inhibitors. Chem Pharm Bull (Tokyo). 2010 Jan;58(1):38-44.
REF 16 Structure of human factor VIIa/tissue factor in complex with a peptide-mimetic inhibitor: high selectivity against thrombin by introducing two charged groups in P2 and P4. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2005 Feb 1;61(Pt 2):169-73.
REF 17 Peptide Mimetic Factor VIIa Inhibitor: Importance of Hydrophilic Pocket in S2 Site to Improve Selectivity aganist Thrombin
REF 18 Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla)
REF 19 Structure of human factor VIIa and its implications for the triggering of blood coagulation. Proc Natl Acad Sci U S A. 1999 Aug 3;96(16):8925-30.
REF 20 Crystal Structure of Factor VIIa/soluble Tissue Factor complexed with Glu-Gly-Arg-Chloromethyl ketone
REF 21 Peptide exosite inhibitors of factor VIIa as anticoagulants. Nature. 2000 Mar 30;404(6777):465-70.
REF 22 Beating tissue factor at its own game: Design and properties of a soluble tissue factor-independent coagulation factor VIIa. J Biol Chem. 2020 Jan 10;295(2):517-528.
REF 23 Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity. J Biol Chem. 2016 Feb 26;291(9):4671-83.
REF 24 Structure of extracellular tissue factor complexed with factor VIIa inhibited with a BPTI mutant. J Mol Biol. 1999 Feb 5;285(5):2089-104.
REF 25 The effect of O-fucosylation on the first EGF-like domain from human blood coagulation factor VII. Biochemistry. 1999 Jun 1;38(22):7097-110.

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