Structure of PDB 3vca Chain A Binding Site BS01

Receptor Information
>3vca Chain A (length=397) Species: 266834 (Sinorhizobium meliloti 1021) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSIHQRLDRRLSGFSLEQPFYTSPEVYALDLQHIFYKQWLYAVPVCQLAK
AGSYTTLRVGAYEVVIVRSRDGEVRAFHNSCRHRGSLICKARQGQVAKLV
CPYHQWTYELDGKLIWANDMGPDFDASKYGLKPVNLRNLDGLIYICLSDT
PPDFQTFAQLARPYLEVHDLKDAKVAFTSTIIEKGNWKLVWENNRECYHC
SSNHPALCRSFPLDPEVAGVGVSKKLQAHFDRCEAAGTPAQFVLAGDGQY
RLARMPLQEKALSYTMDGKAAVSRHLGRVAPPDAGTLLMFHYPSTWNHFL
PDHSLTFRVMPISPTETEVTTTWLVHKDAVEGVDYDLKRLTEVWIATNDE
DREIVETNQQGILSPAYVPGPYSPGQESGVMQFVDWYAASLERALAP
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain3vca Chain A Residue 501 [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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PDB3vca Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman, and UV-Visible Spectroscopic Analysis of a Rieske-Type Demethylase.
Resolution1.59 Å
Binding residue
(original residue number in PDB)		C86 H88 R89 C106 Y108 H109 W111
Binding residue
(residue number reindexed from 1)		C81 H83 R84 C101 Y103 H104 W106
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H109 E201 H204 H209 N357
Catalytic site (residue number reindexed from 1) H104 E196 H199 H204 N348
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0044237 cellular metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3vca, PDBe:3vca, PDBj:3vca
PDBsum3vca
PubMed22224443
UniProtQ92ZP9

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