Structure of PDB 4xpn Chain A Binding Site BS02

Receptor Information
>4xpn Chain A (length=296) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGSLNLDSIIGRLLEVQGSRPGKNVQLTENEIRGLCLKSREIFLSQPILL
ELEAPLKICGDIHGQYYDLLRLFEYGGFPPESNYLFLGDYVDRGKQSLET
ICLLLAYKIKYPENFFLLRGNHECASINRIYGFYDECKRRYNIKLWKTFT
DCFNCLPIAAIVDEKIFCCHGGLSPDLQSMEQIRRIMRPTDVPDQGLLCD
LLWSDPDKDVQGWGENDRGVSFTFGAEVVAKFLHKHDLDLICRAHQVVED
GYEFFAKRQLVTLFSAPNYCGEFDNAGAMMSVDETLMCSFQILKPA
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4xpn Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xpn Structural and Functional Analysis of the GADD34:PP1 eIF2 alpha Phosphatase.
Resolution2.285 Å
Binding residue
(original residue number in PDB)		D64 H66 D92
Binding residue
(residue number reindexed from 1)		D61 H63 D89
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D64 H66 D92 D95 R96 N124 H125 H173 R221 H248
Catalytic site (residue number reindexed from 1) D61 H63 D89 D92 R93 N121 H122 H170 R218 H245
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:4xpn, PDBe:4xpn, PDBj:4xpn
PDBsum4xpn
PubMed26095357
UniProtP62136|PP1A_HUMAN Serine/threonine-protein phosphatase PP1-alpha catalytic subunit (Gene Name=PPP1CA)

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