Structure of PDB 1gqw Chain B Binding Site BS02

Receptor Information
>1gqw Chain B (length=273) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERLSITPLGPYIGAQISGADRPLSDNQFEQLYHAVLRHQVVFLRDQAITP
QQQRALAQRFGELHIHPVYPHAEGVDEIIVLDTHNDNPPDNDNWHTDVTF
IETPPAGAILAAKELPSTGGDTLWTSGIAAYEALSVPFRQLLSGLRAEHD
FRKSFPEYKYEHQRWREAVAKNPPLLHPVVRTHPVSGKQALFVNEGFTTR
IVDVSEKESEALLSFLFAHITKPEFQVRWRWQPNDIAIWDNRVTQHYANA
DYLPQRRIMHRATILGDKPFYRA
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 chain1gqw Chain B Residue 352 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gqw X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates
Resolution3.0 Å
Binding residue
(original residue number in PDB)		N95 H99 D101 H255 A257 R266 R270
Binding residue
(residue number reindexed from 1)		N91 H95 D97 H246 A248 R257 R261
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H99 D101 H255 R270
Catalytic site (residue number reindexed from 1) H95 D97 H246 R261
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:1gqw, PDBe:1gqw, PDBj:1gqw
PDBsum1gqw
PubMed11955067
UniProtP37610|TAUD_ECOLI Alpha-ketoglutarate-dependent taurine dioxygenase (Gene Name=tauD)

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