Structure of PDB 4fll Chain A Binding Site BS01

Receptor Information

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

YRYTGKLRPHYPLMPTRPVPSYIQRPDYADHPLGMSESEQALKGTSQIKL
LSSEDIEGMRLVCRLAREVLDVAAGMIKPGVTTEEIDHAVHLACIARNCY
PSPLNYYNFPKSCCTSVNEVICHGIPDRRPLQEGDIVNVDITLYRNGYHG
DLNETFFVGEVDDGARKLVQTTYECLMQAIDAVKPGVRYRELGNIIQKHA
QANGFSVVRSYCGHGIHKLFHTAPNVPHYAKNKAVGVMKSGHVFTIEPMI
CEGGWQDETWPDGWTAVTRDGKRSAQFEHTLLVTDTGCEILTRRLDSARP
HFMS

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: 4fll Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4fll Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
• Resolution: 1.5 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: 4

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:4fll, PDBe:4fll, PDBj:4fll
• PDBsum: 4fll
• PubMed: 22913487
• UniProt: P53582|MAP11_HUMAN Methionine aminopeptidase 1 (Gene Name=METAP1)