Structure of PDB 4usz Chain A Binding Site BS01

Receptor Information

>4usz Chain A (length=415) Species: 63186 (Zobellia galactanivorans)

KEEPINITPEELDASIDRVTEIMIHDIFSPPVASRIFAYPNVAAYEIVAA
TNDNYNSLAGQLNGLTAIPEPDTTKTINYELAAVVAHMELSKRLIFSEDR
MESLRDSLYMVWEGKNPVLFSDSKAYGLQVADHIGEWMNKDNYAQTRTMP
KFTVDADDPGRWQPTPPAYMDGIEPHWNKIRPFVLDSAAQFKPVPPPAYS
LEEDSAFYKELKEVYDVRNKITEEGDSSEEIQIARFWDCNPYVSKKITPG
AHWMGIAKIAARKTNSDFAKTLFAYTKASVAMADAFISCWDEKYRSNLIR
PETVINQHIDDSWKPVLQTPPFPEYTSGHSVVSGAASVVLTEVFGDNFSF
DDDTEVPYGLPIRSFKSFKQAADEAAISRMYGGIHYRAAIEVGVKQGRDL
GTFVVNKLHMLSDKK

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: 4usz Chain A Residue 1447

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4usz The Bacterial Vanadium Iodoperoxidase from the Marine Flavobacteriaceae Zobellia Galactanivorans Reveals Novel Molecular and Evolutionary Features of Halide Specificity in This Enzyme Family.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): K324 R331 F353 S358 G359 H360 R410 H416
• Binding residue (residue number reindexed from 1): K293 R300 F322 S327 G328 H329 R379 H385
• 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:4usz, PDBe:4usz, PDBj:4usz
• PDBsum: 4usz
• PubMed: 25261522
• UniProt: G0LAH5