Structure of PDB 4ysa Chain A Binding Site BS01

Receptor Information

>4ysa Chain A (length=294) Species: 420246 (Geobacillus thermodenitrificans NG80-2)

IAAHKGVNQAPVPLKMERVGPHDVHIEMTAQITDIEIDKGKIYKAWTFNG
QAPGPLVVVNEGDTIHFTLKNMDPVVPHSMDFHAVHASPSKDFIDVMPNK
SGTFTYPANKPGVFMYHCGTKPVLQHIANGMHGVIIVKPKNGYPTDKEVD
REYVLIQNEWYKYNDMNDFQNGVPSYVVFSSKALKPGDPNTNGDTFTLKE
KPLLAKVGEKIRLYINNVGPNEVSSFHVVGTVFDDVYLDGNPNNHLQGMQ
TVMLPASGGAVVEFTVTRPGTYPIVTHQFNHAQKGAVAMLKVTE

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: 4ysa Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ysa Redox-coupled structural changes in nitrite reductase revealed by serial femtosecond and microfocus crystallography
• Resolution: 1.43 Å
• Binding residue (original residue number in PDB): H95 C135 H143 M148
• Binding residue (residue number reindexed from 1): H78 C118 H126 M131
• 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): H78 D81 H83 H117 C118 H126 M131 H227 Q250 T251 H277
• 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:4ysa, PDBe:4ysa, PDBj:4ysa
• PDBsum: 4ysa
• PubMed: 26769972
• UniProt: A4IL26