Structure of PDB 4u75 Chain A Binding Site BS03

Receptor Information

>4u75 Chain A (length=304) Species: 9606 (Homo sapiens)

YRYTGKLRPHYPLMPTRPVPSYIQRPDYADHPLGMSESEQALKGTSQIKL
LSSEDIEGMRLVCRLAREVLDVAAGMIKPGVTTEEIDHAVHLACIARNCY
PSPLNYYNFPKSCCTSVNEVICHGIPDRRPLQEGDIVNVDITLYRNGYHG
DLNETFFVGEVDDGARKLVQTTYECLMQAIDAVKPGVRYRELGNIIQKHA
QANGFSVVRSYCGHGIHKLMHTAPNVPHYAKNKAVGVMKSGHVFTIEPMI
CEGGWQDETWPDGWTAVTRDGKRSAQFEHTLLVTDTGCEILTRRLDSARP
HFMS

Ligand information

• Ligand ID: MET
• InChI: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
• InChIKey: FFEARJCKVFRZRR-BYPYZUCNSA-N
• SMILES:
  CACTVS 3.341: CSCC[CH](N)C(O)=O
  OpenEye OEToolkits 1.5.0: CSCCC(C(=O)O)N
  CACTVS 3.341: CSCC[C@H](N)C(O)=O
  OpenEye OEToolkits 1.5.0: CSCC[C@@H](C(=O)O)N
  ACDLabs 10.04: O=C(O)C(N)CCSC
• Formula: C5 H11 N O2 S
• Name: METHIONINE
• ChEMBL: CHEMBL42336
• DrugBank: DB00134
• ZINC: ZINC000001532529
• PDB chain: 4u75 Chain A Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4u75 Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
• Resolution: 1.94 Å
• Binding residue (original residue number in PDB): F198 C203 D229 D240 H303 H310 E336 E367
• Binding residue (residue number reindexed from 1): F109 C114 D140 D151 H214 H221 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:4u75, PDBe:4u75, PDBj:4u75
• PDBsum: 4u75
• PubMed: 25699713
• UniProt: P53582|MAP11_HUMAN Methionine aminopeptidase 1 (Gene Name=METAP1)