Structure of PDB 5jfr Chain A Binding Site BS01

Receptor Information

>5jfr Chain A (length=366) Species: 9606 (Homo sapiens)

KVQTDPPSVPICDLYPNGVFPKGQECEYPPTQDGRTAAWRTTSEEKKALD
QASEEIWNDFREAAEAHRQVRKYVMSWIKPGMTMIEICEKLEDCSRKLIK
ENGLNAGLAFPTGCSLNNCAAHYTPNAGDTTVLQYDDICKIDFGTHISGR
IIDCAFTVTFNPKYDTLLKAVKDATNTGIKCAGIDVRLCDVGEAIQEVME
SYEVEIDGKTYQVKPIRNLNGHSIGQYRIHAGKTVPIVKGTRMEEGEVYA
IETFGSTGKGVVHDDMECSHYMKNFDVGHVPIRLPRTKHLLNVINENFGT
LAFCRRWLDRLGESKYLMALKNLCDLGIVDPYPPLCDIKGSYTAQFEHTI
LLRPTCKEVVSRGDDY

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: 5jfr Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5jfr Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 2.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): D251 D262 E459
• Binding residue (residue number reindexed from 1): D142 D153 E347
• 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): D142 D153 H222 H230 E252 E347
• 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:5jfr, PDBe:5jfr, PDBj:5jfr
• PDBsum: 5jfr
• PubMed: 27136719
• UniProt: P50579|MAP2_HUMAN Methionine aminopeptidase 2 (Gene Name=METAP2)