Structure of PDB 4u71 Chain A Binding Site BS01

Receptor Information

>4u71 Chain A (length=304) Species: 9606 (Homo sapiens)

YRYTGKLRPHYPLMPTRPVPSYIQRPDYADHPLGMSESEQALKGTSQIKL
LSSEDIEGMRLVCRLAREVLDVAAGMIKPGVTTEEIDHAVHLACIARNCY
PSPLNYYNFPKSCCTSVNEVICHGIPDRRPLQEGDIVNVDITLYRNGYHG
DLNETFFVGEVDDGARKLVQTTYECLMQAIDAVKPGVRYRELGNIIQKHA
QANGFSVVRSYCGHGIHKLMHTAPNVPHYAKNKAVGVMKSGHVFTIEPMI
CEGGWQDETWPDGWTAVTRDGKRSAQFEHTLLVTDTGCEILTRRLDSARP
HFMS

Ligand information

• Ligand ID: CO
• InChI: InChI=1S/Co/q+2
• InChIKey: XLJKHNWPARRRJB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Co+2]
  CACTVS 3.341: [Co++]
• Formula: Co
• Name: COBALT (II) ION
• DrugBank: DB14205
• PDB chain: 4u71 Chain A Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4u71 Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D240 H303 T334 E336 E367
• Binding residue (residue number reindexed from 1): D151 H214 T245 E247 E278
• Annotation score: 3

Enzymatic activity

• Catalytic site (original residue number in PDB): D229 D240 H303 H310 E336 E367
• Catalytic site (residue number reindexed from 1): D140 D151 H214 H221 E247 E278
• 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:4u71, PDBe:4u71, PDBj:4u71
• PDBsum: 4u71
• PubMed: 25699713
• UniProt: P53582|MAP11_HUMAN Methionine aminopeptidase 1 (Gene Name=METAP1)