Structure of PDB 6qej Chain A Binding Site BS02

Receptor Information

>6qej Chain A (length=360) Species: 9606 (Homo sapiens)

KVQTDPPSVPICDLYPNGVFPKGQECEYPPWRTSEEKKALDQASEEIWND
FREAAEAHRQVRKYVMSWIKPGMTMIEICEKLEDCSRKLIKENGLNAGLA
FPTGCSLNNCAAHYTPNAGDTTVLQYDDICKIDFGTHISGRIIDCAFTVT
FNPKYDTLLKAVKDATNTGIKCAGIDVRLCDVGEAIQEVMESYEVEIDGK
TYQVKPIRNLNGHSIGQYRIHAGKTVPIVKGGEATRMEEGEVYAIETFGS
TGKGVVHDDMECSHYMKNFDVGHVPIRLPRTKHLLNVINENFGTLAFCRR
WLDRLGESKYLMALKNLCDLGIVDPYPPLCDIKGSYTAQFEHTILLRPTC
KEVVSRGDDY

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: 6qej Chain A Residue 504

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6qej Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
• Resolution: 1.62 Å
• Binding residue (original residue number in PDB): D262 H331 E364 E459
• Binding residue (residue number reindexed from 1): D144 H213 E246 E341
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D251 D262 H331 H339 E364 E459
• Catalytic site (residue number reindexed from 1): D133 D144 H213 H221 E246 E341
• Enzyme Commision number: 3.4.11.18: methionyl aminopeptidase.

Gene Ontology

Molecular Function

• GO:0070006 metalloaminopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:6qej, PDBe:6qej, PDBj:6qej
• PDBsum: 6qej
• PubMed: 30939017
• UniProt: P50579|MAP2_HUMAN Methionine aminopeptidase 2 (Gene Name=METAP2)