Structure of PDB 1oii Chain C Binding Site BS01

Receptor Information
>1oii Chain C (length=237) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELDVHPVAGRIGAEIRGVKLSPDLDAATVEAIQAALVRHKVIFFRGQTHL
DDQSQEGFAKLLGEPVRANSWHTDVTFVEAYPKASILRSVVAPASGGDTV
WANTAAAYQELPEPLRELADKLWAVHSNEYETEHPVVRVHPISGERALQL
GHFVKRIKGYSLADSQHLFAVLQGHVTRLENTVRWRWEAGDVAIWDNRAT
QHYAVDDYGTQPRIVRRVTLAGEVPVGVDGQLSRTTR
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain1oii Chain C Residue 1300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1oii Crystal Structure of the Alkylsulfatase Atsk: Insights Into the Catalytic Mechanism of the Fe(II) Alpha-Ketoglutarate-Dependent Dioxygenase Superfamily
Resolution2.19 Å
Binding residue
(original residue number in PDB)		H108 D110 H264
Binding residue
(residue number reindexed from 1)		H72 D74 H202
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H108 D110 H264 R279
Catalytic site (residue number reindexed from 1) H72 D74 H202 R217
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:1oii, PDBe:1oii, PDBj:1oii
PDBsum1oii
PubMed15023059
UniProtQ9WWU5|ATSK_PSEPU Alpha-ketoglutarate-dependent sulfate ester dioxygenase (Gene Name=atsK)

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