Structure of PDB 4knu Chain E Binding Site BS02

Receptor Information

>4knu Chain E (length=285) Species: 228410 (Nitrosomonas europaea ATCC 19718)

KTVQVTLHAVETDVAYDNKGSTYRAWTFDGKVPGPVVRVTEGDTVEFTLI
NDKNSKNSHSMDFHAARLDVVEDFESIKPGETKKYTFTADNPGVFFYHCG
SDPMIQHIARGMYGVIIVDPKDANALPKADREYVLIQAEHYENPDDKTAM
MQNKWSNVVFNGGVFKYDPVHDSEATSWLQAKPGERVRIYFVNAGPNELS
SLHPIAGIWDRVYPSGNPKNVQYALQSYLIGAGDAATLDLISPVEGANAI
VDHSMRHAHSGAIAVIMFTNDADPEAGRGENILIR

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: 4knu Chain E Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4knu Characterization of a nitrite reductase involved in nitrifier denitrification.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): H88 H122
• Binding residue (residue number reindexed from 1): H64 H98
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H83 D86 H88 H122 C123 H131 M136 H227 Q250 S251 H277
• Catalytic site (residue number reindexed from 1): H59 D62 H64 H98 C99 H107 M112 H203 Q226 S227 H253
• 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:4knu, PDBe:4knu, PDBj:4knu
• PDBsum: 4knu
• PubMed: 23857587
• UniProt: Q82VX5