Structure of PDB 6iff Chain B Binding Site BS01

Receptor Information

>6iff Chain B (length=429) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539)

QSVGDSIFPSLGQRGLDVQHYDLHLTVPRPGEPHLSGDVTLTVGAREPLS
RIVLDLLGPRVSAAQWNGQRVRWVQTAQKVEVTLPRPLRPGETGRLRLIY
AGTPELSGLPIRPGWQNEAGLSYSLSEPHGTRGFLPCNDHPSDPATFTVR
VTVPASASAAASGLFTTQTERNGLKTLTFTQRVPVPTYALGLIVGPLERR
TAPDVQLGTQTVHRRDIYAAGLPAGTTVPEGETARMLRVLSDWFGPYPDE
VYGVALLPVRQLALETAGLTTMPATSNRERVRLHALAHQWFGDQVTLADW
ADTWLSEGFATYAELLWAESQGEDGQAMAADWYARLSVLPSRPLRATREE
EIFDASAYFRGALALHALRLKVGDAAFGQFLHSYVKTFTGRPVSTTALLT
LVKTQLGAEAEQTLRVWVEGRTLPPLPEP

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: 6iff Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6iff Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
• Resolution: 1.83 Å
• Binding residue (original residue number in PDB): H322 H326 E345
• Binding residue (residue number reindexed from 1): H284 H288 E307
• 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): E265 H284 A285 H288 E307 E350 Y358
• 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:6iff, PDBe:6iff, PDBj:6iff
• PDBsum: 6iff
• PubMed: 31923495
• UniProt: Q9RVZ5