Structure of PDB 4mp0 Chain A Binding Site BS01

Receptor Information

>4mp0 Chain A (length=295) Species: 9606 (Homo sapiens)

SLNLDSIIGRLLEVQGSRPGKNVQLTENEIRGLCLKSREIFLSQPILLEL
EAPLKICGDIHGQYYDLLRLFEYGGFPPESNYLFLGDYVDRGKQSLETIC
LLLAYKIKYPENFFLLRGNHECASINRIYGFYDECKRRYNIKLWKTFTDC
FNCLPIAAIVDEKIFCCHGGLSPDLQSMEQIRRIMRPTDVPDQGLLCDLL
WSDPDKDVQGWGENDRGVSFTFGAEVVAKFLHKHDLDLICRAHQVVEDGY
EFFAKRQLVTLFSAPNYCGEFDNAGAMMSVDETLMCSFQILKPAD

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 4mp0 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4mp0 Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code.
• Resolution: 2.1003 Å
• Binding residue (original residue number in PDB): D64 H66 D92
• Binding residue (residue number reindexed from 1): D59 H61 D87
• Annotation score: 1

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): D59 H61 D87 D90 R91 N119 H120 H168 R216 H243
• Enzyme Commision number: 3.1.3.16: protein-serine/threonine phosphatase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity

External links

• PDB: RCSB:4mp0, PDBe:4mp0, PDBj:4mp0
• PDBsum: 4mp0
• PubMed: 24591642
• UniProt: P62136|PP1A_HUMAN Serine/threonine-protein phosphatase PP1-alpha catalytic subunit (Gene Name=PPP1CA)