Structure of PDB 3v17 Chain B Binding Site BS01

Receptor Information
>3v17 Chain B (length=276) Species: 160488 (Pseudomonas putida KT2440) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLTITPLSPALGAQISGVDISRDISAEERDAIEQALLQHQVLFLRDQPIN
PEQQARFAARFGDLHIHPIYPNVPDTPQVLVLDTAVTDVRDNAVWHTDVT
FLPTPALGAVLSAKQLPAYGGDTLWASGIAAFEALSAPLREMLDGLTATH
DFTKSFPLERFGTTPQDLARWEATRRNNPPLSHPVVRTHPVSGRKALFVN
EGFTTRINELSELESDALLRLLFAHATRPEFSIRWRWQENDVAFWDNRVT
QHFAVDDYRPNRRVMHRATILGDAPF
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain3v17 Chain B Residue 279 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3v17 The Fe(II) / alpha-ketoglutarate dependent taurine dioxygenases from Pseudomonas putida and Escherichia coli are tetramers
Resolution2.57 Å
Binding residue
(original residue number in PDB)		L112 T124 H253 R264
Binding residue
(residue number reindexed from 1)		L111 T123 H252 R263
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H97 D99 H253 R268
Catalytic site (residue number reindexed from 1) H96 D98 H252 R267
Enzyme Commision number 1.14.11.17: taurine dioxygenase.
Gene Ontology
Molecular Function
GO:0000907 sulfonate dioxygenase activity
GO:0000908 taurine dioxygenase activity
GO:0003824 catalytic activity
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0006790 sulfur compound metabolic process
GO:0044273 sulfur compound catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3v17, PDBe:3v17, PDBj:3v17
PDBsum3v17
PubMed22221834
UniProtQ88RA3|TAUD_PSEPK Alpha-ketoglutarate-dependent taurine dioxygenase (Gene Name=tauD)

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