Structure of PDB 1yw8 Chain A Binding Site BS01

Receptor Information

>1yw8 Chain A (length=369) Species: 9606 (Homo sapiens)

KVQTDPPSVPICDLYPNGVFPKGQECEYPPTQDGRTAAWRTTSEEKKALD
QASEEIWNDFREAAEAHRQVRKYVMSWIKPGMTMIEICEKLEDCSRKLIK
ENGLNAGLAFPTGCSLNNCAAHYTPNAGDTTVLQYDDICKIDFGTHISGR
IIDCAFTVTFNPKYDTLLKAVKDATNTGIKCAGIDVRLCDVGEAIQEVME
SYEVEIDGKTYQVKPIRNLNGHSIGQYRIHAGKTVPIIKGGEATRMEEGE
VYAIETFGSTGKGVVHDDMECSHYMKNFDVGHVPIRLPRTKHLLNVINEN
FGTLAFCRRWLDRLGESKYLMALKNLCDLGIVDPYPPLCDIKGSYTAQFE
HTILLRPTCKEVVSRGDDY

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: 1yw8 Chain A Residue 480

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1yw8 Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding.
• Resolution: 2.65 Å
• Binding residue (original residue number in PDB): F219 D251 D262 E459
• Binding residue (residue number reindexed from 1): F110 D142 D153 E350
• 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 E255 E350
• 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:1yw8, PDBe:1yw8, PDBj:1yw8
• PDBsum: 1yw8
• PubMed: 16789740
• UniProt: P50579|MAP2_HUMAN Methionine aminopeptidase 2 (Gene Name=METAP2)