Structure of PDB 3wi9 Chain A Binding Site BS02

Receptor Information

>3wi9 Chain A (length=303) Species: 235909 (Geobacillus kaustophilus HTA426)

TQQSAANMLAAHKGVNQAPVPLKMERVGPHDVHIEMTAQITDIEIDKGKI
YKAWTFNGQAPGPLVVVNEGDTIHFTLKNMDPVVPHSMDFHAVHASPSKD
FIDVMPNKSGTFTYPANKPGVFMYHCGTKPVLQHIANGMHGVIIVKPKNG
YPTDKEVDREYVLIQNEWYKYNDMNDFQNGVPSYVVFSSKALKPGDPNTN
GDTFTLKEKPLLAKVGEKIRLYINNVGPNEVSSFHVVGTVFDDVYLDGNP
NNHLQGMQTVMLPASGGAVVEFTVTRPGTYPIVTHQFNHAQKGAVAMLKV
TET

Ligand information

• Ligand ID: CU
• InChI: InChI=1S/Cu/q+2
• InChIKey: JPVYNHNXODAKFH-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Cu+2]
  CACTVS 3.341: [Cu++]
• Formula: Cu
• Name: COPPER (II) ION
• DrugBank: DB14552
• PDB chain: 3wi9 Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3wi9 Structural and functional characterization of the Geobacillus copper nitrite reductase: involvement of the unique N-terminal region in the interprotein electron transfer with its redox partner
• Resolution: 1.3 Å
• Binding residue (original residue number in PDB): H100 H134
• Binding residue (residue number reindexed from 1): H91 H125
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H95 D98 H100 H134 C135 H143 M148 H244 Q267 T268 H294
• Catalytic site (residue number reindexed from 1): H86 D89 H91 H125 C126 H134 M139 H235 Q258 T259 H285
• Enzyme Commision number: 1.7.2.1: nitrite reductase (NO-forming).

Gene Ontology

Molecular Function

• GO:0005507 copper ion binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0050421 nitrite reductase (NO-forming) activity

External links

• PDB: RCSB:3wi9, PDBe:3wi9, PDBj:3wi9
• PDBsum: 3wi9
• PubMed: 24440558
• UniProt: Q5L1X8