Structure of PDB 4q5o Chain B Binding Site BS02

Receptor Information
>4q5o Chain B (length=282) Species: 317655 (Sphingopyxis alaskensis RB2256) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDLYPSRQRADAEMRPRLDPVVHSEWTNDAPISARQAAAFDRDGYIVLED
IFSADEVAFLQKAAGNLLADPAALDADTIVTEPQSNEIRSIFEIHAQSPV
MARLAADARLADVARFLLGDEVYIHQSRLNYKPGFKGREFYWHSDFETWH
VEDGMPRMRALSMSVLLAENTPHNGPLMVIPGSHRTYLTCGVPDEESLAE
LAHRHGIVAPTGKPGTVILFDCNLMHGSNGNITPFPRANAFLVYNAVSNR
LEKPFGVEKPRPWFLARRGEPAALRVERGPLV
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 chain4q5o Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4q5o Crystal structure of the ectoine hydroxylase, a snapshot of the active site.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		R129 N131 F141 H144 H245 S247 R256 F260
Binding residue
(residue number reindexed from 1)		R128 N130 F140 H143 H226 S228 R237 F241
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.11.55: ectoine hydroxylase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016706 2-oxoglutarate-dependent dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:4q5o, PDBe:4q5o, PDBj:4q5o
PDBsum4q5o
PubMed25172507
UniProtQ1GNW5|ECTD_SPHAL Ectoine dioxygenase (Gene Name=ectD)

[Back to BioLiP]