Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T59845 Target Info
Target Name Serine/threonine PP1-alpha (PPP1CA)
Synonyms Serine/threonine-protein phosphatase PP1-alpha catalytic subunit; Protein phosphatase 1alpha; PPP1A; PP-1A
Target Type Successful Target
Gene Name PPP1CA
Biochemical Class Phosphoric monoester hydrolase
UniProt ID
PP1A_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Tautomycin diacid Ligand Info
Structure Description Crystal Structure of Protein Phosphatase-1 Bound to the natural toxin inhibitor Tautomycin PDB:3E7B
Method X-ray diffraction Resolution 1.70 Å Mutation No [1]
PDB Sequence
SLNLDSIIGR
15
LLEVQGSRPG
25
KNVQLTENEI
35
RGLCLKSREI
45
FLSQPILLEL
55

EAPLKICGDI
65
HGQYYDLLRL
75
FEYGGFPPES
85
NYLFLGDYVD
95
RGKQSLETIC
105

LLLAYKIKYP
115
ENFFLLRGNH
125
ECASINRIYG
135
FYDECKRRYN
145
IKLWKTFTDC
155

FNCLPIAAIV
165
DEKIFCCHGG
175
LSPDLQSMEQ
185
IRRIMRPTDV
195
PDQGLLCDLL
205

WSDPDKDVQG
215
WGENDRGVSF
225
TFGAEVVAKF
235
LHKHDLDLIC
245
RAHQVVEDGY
255

EFFAKRQLVT
265
LFSAPNYCGE
275
FDNAGAMMSV
285
DETLMCSFQI
295
LKPA
Residue
Distance (Å)
ARG96
2.855
ASN124
4.294
HIS125
4.406
CYS127
3.685
SER129
3.736
ILE130
3.537
ILE133
3.922
TYR134
3.494
ASP194
4.266
VAL195
3.023
PRO196
3.500
ASP197
3.381
CYS202
4.242
Residue
Distance (Å)
TRP206
3.752
ASN219
4.769
ASP220
3.560
ARG221
2.673
GLY222
3.529
VAL223
3.709
HIS248
3.022
GLN249
3.497
VAL250
3.110
PHE267
4.653
TYR272
2.496
CYS273
4.674
PHE276
3.579
Ligand Name: Tautomycetin diacid form Ligand Info
Structure Description Crystal structure of Protein Phosphatase 1 bound to the natural inhibitor Tautomycetin PDB:6ALZ
Method X-ray diffraction Resolution 2.21 Å Mutation No [2]
PDB Sequence
LNLDSIIGRL
16
LEVQGSRPGK
26
NVQLTENEIR
36
GLCLKSREIF
46
LSQPILLELE
56

APLKICGDIH
66
GQYYDLLRLF
76
EYGGFPPESN
86
YLFLGDYVDR
96
GKQSLETICL
106

LLAYKIKYPE
116
NFFLLRGNHE
126
CASINRIYGF
136
YDECKRRYNI
146
KLWKTFTDCF
156

NCLPIAAIVD
166
EKIFCCHGGL
176
SPDLQSMEQI
186
RRIMRPTDVP
196
DQGLLCDLLW
206

SDPDKDVQGW
216
GENDRGVSFT
226
FGAEVVAKFL
236
HKHDLDLICR
246
AHQVVEDGYE
256

FFAKRQLVTL
266
FSAPNYCGEF
276
DNAGAMMSVD
286
ETLMCSFQIL
296
KPA
Residue
Distance (Å)
ASP64
4.977
ARG96
2.922
ASN124
4.659
HIS125
4.769
CYS127
1.765
ALA128
4.995
SER129
3.469
ILE130
4.058
TYR134
3.458
VAL195
3.447
PRO196
4.306
ASP197
3.829
Residue
Distance (Å)
CYS202
4.926
TRP206
3.538
ASP220
3.879
ARG221
2.261
GLY222
3.969
VAL223
3.473
HIS248
3.361
GLN249
3.777
VAL250
3.183
TYR272
2.643
PHE276
3.542
References  Top
REF 1 Crystal structures of protein phosphatase-1 bound to nodularin-R and tautomycin: a novel scaffold for structure-based drug design of serine/threonine phosphatase inhibitors. J Mol Biol. 2009 Jan 9;385(1):11-21.
REF 2 PP1:Tautomycetin Complex Reveals a Path toward the Development of PP1-Specific Inhibitors. J Am Chem Soc. 2017 Dec 13;139(49):17703-17706.

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