Structure of PDB 3w36 Chain A Binding Site BS01

Receptor Information
>3w36 Chain A (length=470) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEFDLDKDNYIKWAQPTDENAGQSPTLAILGPMDVTVFLWINRVVWLAAF
DALAPYHETAVGVYSQIPRRPSSESATNRNLNIAALHAQHGVWKRVLPQQ
VDQLRELMTALGLDPSDETENLSSPVGIGNVAAKNAFNALKNDGMNFLGY
EGRKYNPRPWADYTGYEPVNTAFKVNNPSRWQPQLQAHNARRAGGGPGDL
GIYVTQHFVTPQTARTKAHIFRDPSRFRIPRPEFSDHTNTRAYKRSVDEI
IDASANLNDERKALAEIMENKLWGIGHSSIVIANKYDQNNEMGVHGWCHW
MLAHVLATFEPLIAAWHHKTRFDAVRPVTAIRHVYGNRKIRAWGGVGMGT
VDIRASEWSSYLPVGDHPEYPSGSTSLCSATSQAARRYFDSDELDWTINY
PAGSTVVEPGITPGKDLSIHIPTWTDFTRTCATSRVWGGVHFQTTVDRTI
DFGEQFGDLAHEFVQRHVKG
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 chain3w36 Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3w36 Structural Basis of Stereospecific Vanadium-Dependent Haloperoxidase Family Enzymes in Napyradiomycin Biosynthesis.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		K372 R379 H420 S425 G426 S427 R488 H494
Binding residue
(residue number reindexed from 1)		K319 R326 H367 S372 G373 S374 R435 H441
Annotation score1
Enzymatic activity
Enzyme Commision number 1.11.1.10: chloride peroxidase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
Biological Process
GO:0098869 cellular oxidant detoxification

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3w36, PDBe:3w36, PDBj:3w36
PDBsum3w36
PubMed35985031
UniProtA7KH27

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