Structure of PDB 5hpe Chain A Binding Site BS02

Receptor Information

>5hpe Chain A (length=326) Species: 9606 (Homo sapiens)

EYSGPKLEDGKVTISFMKELMQWYKDQKKLHRKCAYQILVQVKEVLSKLS
TLVETTLKETEKITVCGDTHGQFYDLLNIFELNGLPSETNPYIFNGDFVD
RGSFSVEVILTLFGFKLLYPDHFHLLRGNHETDNMNQIYGFEGEVKAKYT
AQMYELFSEVFEWLPLAQCINGKVLIMHGGLFSEDGVTLDDIRKIERNRQ
PPDSGPMCDLLWSDPQPQNGRSISKRGVSCQFGPDVTKAFLEENNLDYII
RSHEVKAEGYEVAHGGRCVTVFSAPNYCDQMGNKASYIHLQGSDLRPQFH
QFTAVPHPNVKPMAYAWDHIEVEDDE

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: 5hpe Chain A Residue 1102

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5hpe Structural and functional basis of protein phosphatase 5 substrate specificity.
• Resolution: 2.27 Å
• Binding residue (original residue number in PDB): D242 H244 D271 E1013
• Binding residue (residue number reindexed from 1): D68 H70 D97 E323
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D242 H244 D271 D274 R275 N303 H304 H352 R400 H427
• Catalytic site (residue number reindexed from 1): D68 H70 D97 D100 R101 N129 H130 H178 R226 H253
• Enzyme Commision number: 3.1.3.16: protein-serine/threonine phosphatase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity

External links

• PDB: RCSB:5hpe, PDBe:5hpe, PDBj:5hpe
• PDBsum: 5hpe
• PubMed: 27466404
• UniProt: P53041|PPP5_HUMAN Serine/threonine-protein phosphatase 5 (Gene Name=PPP5C);
  Q16543