Structure of PDB 3b3v Chain A Binding Site BS03

Receptor Information

>3b3v Chain A (length=291) Species: 671 (Vibrio proteolyticus)

MPPITQQATVTAWLPQVDASQITGTISSLESFTNRFYTTTSGAQASDWIA
SEWQALSASLPNASVKQVSHSGYNQKSVVMTITGSEAPDEWIVIGGHLDS
TIGSHTNEQSVAPGADDDASGIAAVTEVIRVLSENNFQPKRSIAFMAYAA
EEVGLRGSQDLANQYKSEGKNVVSALQLDMTNYKGSAQDVVFITDYTDSN
FTQYLTQLMDEYLPSLTYGFDTCGYACADHASWHNAGYPAAMPFESKFND
YNPRIHTTQDTLANSDPTGSHAKKFTQLGLAYAIEMGSATG

Ligand information

• Ligand ID: VAL
• InChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
• InChIKey: KZSNJWFQEVHDMF-BYPYZUCNSA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C(N)C(C)C
  OpenEye OEToolkits 1.5.0: CC(C)C(C(=O)O)N
  OpenEye OEToolkits 1.5.0: CC(C)[C@@H](C(=O)O)N
  CACTVS 3.341: CC(C)[C@H](N)C(O)=O
  CACTVS 3.341: CC(C)[CH](N)C(O)=O
• Formula: C5 H11 N O2
• Name: VALINE
• ChEMBL: CHEMBL43068
• DrugBank: DB00161
• ZINC: ZINC000000895099
• PDB chain: 3b3v Chain A Residue 299

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3b3v Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus.
• Resolution: 1.22 Å
• Binding residue (original residue number in PDB): H97 D117 E151 E152 D179 M180 C227 H256
• Binding residue (residue number reindexed from 1): H97 D117 E151 E152 D179 M180 C227 H256
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H97 D117 E151 E152 D179 H256
• Catalytic site (residue number reindexed from 1): H97 D117 E151 E152 D179 H256
• Enzyme Commision number: 3.4.11.10: bacterial leucyl aminopeptidase.

Gene Ontology

Molecular Function

• GO:0008235 metalloexopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:3b3v, PDBe:3b3v, PDBj:3b3v
• PDBsum: 3b3v
• PubMed: 18576673
• UniProt: Q01693|AMPX_VIBPR Bacterial leucyl aminopeptidase