Structure of PDB 6ifg Chain A Binding Site BS03

Receptor Information

>6ifg Chain A (length=430) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539)

QSVGDSIFPSLGQRGLDVQHYDLHLTVPRPGEPHLSGDVTLTVGAREPLS
RIVLDLLGPRVSAAQWNGQRVRWVQTAQKVEVTLPRPLRPGETGRLRLIY
AGTPELDPGLPIRPGWQNEAGLSYSLSEPHGTRGFLPCNDHPSDPATFTV
RVTVPASASAAASGLFTTQTERNGLKTLTFTQRVPVPTYALGLIVGPLER
RTAPDVQLGTQTVHRRDIYAAGLPAGTTVPEGETARMLRVLSDWFGPYPD
EVYGVALLPVRQLALETAGLTTMPATSNRERVRLHALAHQWFGDQVTLAD
WADTWLSEGFATYAELLWAESQGEDGQAMAADWYARLSVLPSRPLRATRE
EEIFDASAYFRGALALHALRLKVGDAAFGQFLHSYVKTFTGRPVSTTALL
TLVKTQLGAEAEQTLRVWVEGRTLPPLPEP

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 6ifg Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ifg Two-domain aminopeptidase of M1 family: Structural features for substrate binding and gating in absence of C-terminal domain.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D52 V53 D181
• Binding residue (residue number reindexed from 1): D17 V18 D144
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): E303 H322 A323 H326 E345 E388 Y396
• Catalytic site (residue number reindexed from 1): E266 H285 A286 H289 E308 E351 Y359
• Enzyme Commision number: 3.4.11.2: membrane alanyl aminopeptidase.

Gene Ontology

Molecular Function

• GO:0008237 metallopeptidase activity
• GO:0008270 zinc ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:6ifg, PDBe:6ifg, PDBj:6ifg
• PDBsum: 6ifg
• PubMed: 31351924
• UniProt: Q9RVZ5