Structure of PDB 4ikr Chain A Binding Site BS02

Receptor Information

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

YRYTGKLRPHYPLMPTRPVPSYIQRPDYADHPLGMSESEQALKGTSQIKL
LSSEDIEGMRLVCRLAREVLDVAAGMIKPGVTTEEIDHAVHLACIARNCY
PSPLNYYNFPKSCCTSVNEVICHGIPDRRPLQEGDIVNVDITLYRNGYHG
DLNETFFVGEVDDGARKLVQTTYECLMQAIDAVKPGVRYRELGNIIQKHA
QANGFSVVRSYCGHGIHKLFHTAPNVPHYAKNKAVGVMKSGHVFTIEPMI
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: 4ikr Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ikr Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases
• Resolution: 1.78 Å
• Binding residue (original residue number in PDB): D229 D240 E367
• Binding residue (residue number reindexed from 1): D140 D151 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:4ikr, PDBe:4ikr, PDBj:4ikr
• PDBsum: 4ikr
• PubMed: 23767698
• UniProt: P53582|MAP11_HUMAN Methionine aminopeptidase 1 (Gene Name=METAP1)