Structure of PDB 6zee Chain K Binding Site BS01

Receptor Information

>6zee Chain K (length=294) Species: 9606 (Homo sapiens)

SLNLDSIIGRLLEVQGSRPGKNVQLTENEIRGLCLKSREIFLSQPILLEL
EAPLKICGDIHGQYYDLLRLFEYGGFPPESNYLFLGDYVDRGKQSLETIC
LLLAYKIKYPENFFLLRGNHECASINRIYGFYDECKRRYNIKLWKTFTDC
FNCLPIAAIVDEKIFCCHGGLSPDLQSMEQIRRIMRPTDVPDQGLLCDLL
WSDPDKDVQGWGENDRGVSFTFGAEVVAKFLHKHDLDLICRAHQVVEDGY
EFFAKRQLVTLFSAPNYCGEFDNAGAMMSVDETLMCSFQILKPA

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: 6zee Chain K Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6zee Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D92 N124 H173 H248
• Binding residue (residue number reindexed from 1): D87 N119 H168 H243
• 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:6zee, PDBe:6zee, PDBj:6zee
• PDBsum: 6zee
• PubMed: 32975518
• UniProt: P62136|PP1A_HUMAN Serine/threonine-protein phosphatase PP1-alpha catalytic subunit (Gene Name=PPP1CA)