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 T20401 Target Info
Target Name Carbonic anhydrase II (CA-II)
Synonyms Carbonic anhydrase C; Carbonic anhydrase 2; Carbonate dehydratase II; CAC
Target Type Successful Target
Gene Name CA2
Biochemical Class Alpha-carbonic anhydrase
UniProt ID
CAH2_HUMAN
Ligand General Information  Top
Ligand Name (2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide Ligand Info
Canonical SMILES C1=CC2=C(C=C1S(=O)(=O)N)N=C(O2)NO
InChI 1S/C7H7N3O4S/c8-15(12,13)4-1-2-6-5(3-4)9-7(10-11)14-6/h1-3,11H,(H,9,10)(H2,8,12,13)
InChIKey LFVGWDIBDCWZBB-UHFFFAOYSA-N
PubChem Compound ID 146027012
Drug Binding Sites of Target  Top
PDB ID: 6OUK      Carbonic Anhydrase II complexed with benzene sulfonamide MB10-580B
Method X-ray diffraction Resolution 1.50 Å Mutation No [1]
PDB Sequence
HWGYGKHNGP
13
EHWHKDFPIA
23
KGERQSPVDI
33
DTHTAKYDPS
43
LKPLSVSYDQ
53

ATSLRILNNG
63
HAFNVEFDDS
73
QDKAVLKGGP
83
LDGTYRLIQF
93
HFHWGSLDGQ
103

GSEHTVDKKK
113
YAAELHLVHW
123
NTKYGDFGKA
134
VQQPDGLAVL
144
GIFLKVGSAK
154

PGLQKVVDVL
164
DSIKTKGKSA
174
DFTNFDPRGL
184
LPESLDYWTY
194
PGSLTTPPLL
204

ECVTWIVLKE
214
PISVSSEQVL
224
KFRKLNFNGE
234
GEPEELMVDN
244
WRPAQPLKNR
254

QIKASFK
Residue
Distance (Å)
HIS4
3.986
TRP5
3.425
GLY6
4.834
HIS10
3.297
ASN11
3.177
GLY12
4.271
HIS15
2.838
TRP16
3.126
HIS17
4.886
LYS18
4.029
ASP19
3.134
PHE20
3.908
GLN92
4.075
HIS94
3.275
Residue
Distance (Å)
HIS96
3.298
GLU106
4.215
HIS119
3.338
VAL121
3.754
PHE131
3.907
LEU141
4.598
VAL143
3.651
SER197
3.901
LEU198
3.203
THR199
2.769
THR200
3.049
PRO201
4.021
PRO202
4.038
TRP209
3.470
PDB ID: 6OUM      Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB10-580B
Method X-ray diffraction Resolution 1.56 Å Mutation Yes [2]
PDB Sequence
HWGYGKHNGP
13
EHWHKDFPIA
23
KGERQSPVDI
33
DTHTAKYDPS
43
LKPLSVSYDQ
53

ATSLRILNNG
63
HSFQVTFDDS
73
QDKAVLKGGP
83
LDGTYRLLQF
93
HFHWGSLDGQ
103

GSEHTVDKKK
113
YAAELHLVHW
123
NTKYGDVGKA
134
VQQPDGLAVL
144
GIFLKVGSAK
154

PGLQKVVDVL
164
DSIKTEGKSA
174
DFTNFDPRGL
184
LPESLDYWTY
194
PGSLTTPPLA
204

ECVTWIVLKE
214
PISVSSEQVL
224
KFRKLNFNGE
234
GEPEELMVDN
244
WRPAQPLKNR
254

QIKASFK
Residue
Distance (Å)
GLN92
3.908
HIS94
3.129
HIS96
3.223
GLU106
4.220
HIS119
3.311
VAL121
3.737
LEU141
4.647
VAL143
3.545
Residue
Distance (Å)
SER197
3.893
LEU198
3.357
THR199
2.910
THR200
2.841
PRO201
3.344
PRO202
3.446
TRP209
3.286
References  Top
REF 1 Carbonic Anhydrase II complexed with benzene sulfonamide MB10-580B
REF 2 Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB10-580B

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