Structure of PDB 6edh Chain B Binding Site BS01

Receptor Information
>6edh Chain B (length=281) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERLSITPLGPYIGAQISGADLTRPLSDNQFEQLYHAVLRHQVVFLRDQAI
TPQQQRALAQRFGELHIHPVYPHAEGVDEIIVLDTHNDNPPDNDNWHTDV
TFIETPPAGAILAAKELPSTGGDTLWTSGIAAYEALSVPFRQLLSGLRAE
HDFRKSFPEYKYRKTEEEHQRWREAVAKNPPLLHPVVRTHPVSGKQALFV
NEGFTTRIVDVSEKESEALLSFLFAHITKPEFQVRWRWQPNDIAIWDNRV
TQHYANADYLPQRRIMHRATILGDKPFYRAG
Ligand information
Ligand IDVVO
InChIInChI=1S/O.V/q;+2
InChIKeyMHHDXUNFNAZUGB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
OpenEye OEToolkits 2.0.6		O=[V+2]
CACTVS 3.385O=[V++]
FormulaO V
Nameoxovanadium(2+)
ChEMBL
DrugBank
ZINC
PDB chain6edh Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6edh Structure of a Ferryl Mimic in the Archetypal Iron(II)- and 2-(Oxo)-glutarate-Dependent Dioxygenase, TauD.
Resolution1.73 Å
Binding residue
(original residue number in PDB)		N95 H99 D101 H255 R270
Binding residue
(residue number reindexed from 1)		N93 H97 D99 H253 R268
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H99 D101 H255 R270
Catalytic site (residue number reindexed from 1) H97 D99 H253 R268
Enzyme Commision number 1.14.11.17: taurine dioxygenase.
Gene Ontology
Molecular Function
GO:0000908 taurine dioxygenase activity
GO:0008198 ferrous iron binding
GO:0016491 oxidoreductase activity
GO:0031418 L-ascorbic acid binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0006790 sulfur compound metabolic process
GO:0019529 taurine catabolic process
GO:0051289 protein homotetramerization
Cellular Component
GO:0005737 cytoplasm
GO:1990205 taurine dioxygenase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6edh, PDBe:6edh, PDBj:6edh
PDBsum6edh
PubMed31503454
UniProtP37610|TAUD_ECOLI Alpha-ketoglutarate-dependent taurine dioxygenase (Gene Name=tauD)

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