Structure of PDB 4cit Chain A Binding Site BS04

Receptor Information

>4cit Chain A (length=410) Species: 63186 (Zobellia galactanivorans)

KEEPINITPEELDASIDRVTEIMIHDIFSPPVASRIFAYPNVAAYEIVAA
TNDNYNSLAGQLNGLTAIPEPDTTKTINYELAAVVAHMELSKRLIFSEDR
MESLRDSLYMVWEGKNPVLFSDSKAYGLQVADHIGEWMNKDNYAQTRTMP
KDPGRWQPTPPAYMDGIEPHWNKIRPFVLDSAAQFKPVPPPAYSLEEDSA
FYKELKEVYDVRNKITEEGDSSEEIQIARFWDCNPYVSKKITPGAHWMGI
AKIAARKTNSDFAKTLFAYTKASVAMADAFISCWDEKYRSNLIRPETVIN
QHIDDSWKPVLQTPPFPEYTSGHSVVSGAASVVLTEVFGDNFSFDDDTEV
PYGLPIRSFKSFKQAADEAAISRMYGGIHYRAAIEVGVKQGRDLGTFVVN
KLHMLSDKKV

Ligand information

• Ligand ID: VO4
• InChI: InChI=1S/4O.V/q;3*-1;
• InChIKey: LSGOVYNHVSXFFJ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341: [O-][V]([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-][V](=O)([O-])[O-]
• Formula: O4 V
• Name: VANADATE ION
• PDB chain: 4cit Chain A Residue 1453

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4cit The Bacterial Vanadium Iodoperoxidase from the Marine Flavobacteriaceae Zobellia Galactanivorans Reveals Novel Molecular and Evolutionary Features of Halide Specificity in This Enzyme Family.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): R331 H416
• Binding residue (residue number reindexed from 1): R294 H379
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.11.1.-

Gene Ontology

Molecular Function

• GO:0004601 peroxidase activity

Biological Process

• GO:0098869 cellular oxidant detoxification

External links

• PDB: RCSB:4cit, PDBe:4cit, PDBj:4cit
• PDBsum: 4cit
• PubMed: 25261522
• UniProt: G0LAH5