Structure of PDB 1vni Chain A Binding Site BS01

Receptor Information
>1vni Chain A (length=574) Species: 38902 (Curvularia inaequalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTPIPLPKIDEPEEYNTNYILFWNHVGLELNRVTHTVGGPLTGPPLSARA
LGMLHLAIHDAYFSICPPTDFTTFLSPDTENAAYRLPSPNGANDARQAVA
GAALKMLSSLYMKPVEQPNPNPGANISDNAYAQLGLVLDRSVLEAPGGVD
RESASFMFGEDVADVFFALLNDPRGASQEGYHPTPGRYKFDDEPTHPVVL
IPVDPNNPNGPKMPFRQYHAPFYGKTTKRFATQSEHFLADPPGLRSNADE
TAEYDDAVRVAIAMGGAQALNSTKRSPWQTAQGLYWAYDGSNLIGTPPRF
YNQIVRRIAVTYKKEEDLANSEVNNADFARLFALVDVACTDAGIFSWKEK
WEFEFWRPLSGVRDDGRPDHGDPFWLTLGAPATNTNDIPFKPPFPAYPSG
HATFGGAVFQMVRRYYNGRVGTWKDDEPDNIAIDMMISEELNGVNRDLRQ
PYDPTAPIEDQPGIVRTRIVRHFDSAWELMFENAISRIFLGVHWRFDAAA
ARDILIPTTTKDVYAVDNNGATVFQNVEDIRYTTRGTREDEEGLFPIGGV
PLGIEIADEIFNNGLKPTPPEIQP
Ligand information
Ligand IDVO4
InChIInChI=1S/4O.V/q;3*-1;
InChIKeyLSGOVYNHVSXFFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-][V]([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-][V](=O)([O-])[O-]
FormulaO4 V
NameVANADATE ION
ChEMBL
DrugBank
ZINC
PDB chain1vni Chain A Residue 610 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1vni X-ray crystal structures of active site mutants of the vanadium-containing chloroperoxidase from the fungus Curvularia inaequalis.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		K353 R360 S402 G403 H404 R490 H496
Binding residue
(residue number reindexed from 1)		K350 R357 S399 G400 H401 R487 H493
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K353 R360 S402 G403 H404 R490 H496
Catalytic site (residue number reindexed from 1) K350 R357 S399 G400 H401 R487 H493
Enzyme Commision number 1.11.1.10: chloride peroxidase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0016691 chloride peroxidase activity
GO:0046872 metal ion binding
Biological Process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1vni, PDBe:1vni, PDBj:1vni
PDBsum1vni
PubMed10499093
UniProtP49053|PRXC_CURIN Vanadium chloroperoxidase (Gene Name=CPO)

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