Structure of PDB 1oik Chain D Binding Site BS01

Receptor Information
>1oik Chain D (length=254) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELDVHPVAGRIGAEIRGVKLSPDLDAATVEAIQAALVRHKVIFFRGQTHL
DDQSQEGFAKLLGEPVAHPVVDGTRYLLQLDRANSWHTDVTFVEAYPKAS
ILRSVVAPASGGDTVWANTAAAYQELPEPLRELADKLWAVHSNRVYETEH
PVVRVHPISGERALQLGHFVKRIKGYSLADSQHLFAVLQGHVTRLENTVR
WRWEAGDVAIWDNRATQHYAVDDYGTQPRIVRRVTLAGEVPVGVDGQLSR
TTRK
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 chain1oik Chain D Residue 1300 [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]
PDB1oik Crystal Structure of the Alkylsulfatase Atsk: Insights Into the Catalytic Mechanism of the Fe(II) Alpha-Ketoglutarate-Dependent Dioxygenase Superfamily
Resolution2.06 Å
Binding residue
(original residue number in PDB)		H108 D110 L123 T135 H264 A266 R275 R279
Binding residue
(residue number reindexed from 1)		H87 D89 L102 T114 H218 A220 R229 R233
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.11.77: alkyl sulfatase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016706 2-oxoglutarate-dependent dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1oik, PDBe:1oik, PDBj:1oik
PDBsum1oik
PubMed15023059
UniProtQ9WWU5|ATSK_PSEPU Alpha-ketoglutarate-dependent sulfate ester dioxygenase (Gene Name=atsK)

[Back to BioLiP]