Structure of PDB 1dwk Chain J Binding Site BS01

Receptor Information
>1dwk Chain J (length=156) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIQSQINRNIRLDLADAILLSKAKKDLSFAEIADGTGLAEAFVTAALLGQ
QALPADAARLVGAKLDLDEDSILLLQMIPLRGCIDDRIPTDPTMYRFYEM
LQVYGTTLKALVHEKFGDGIISAINFKLDVKKVADPEGGERAVITLDGKY
LPTKPF
Ligand information
Ligand IDOXL
InChIInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
InChIKeyMUBZPKHOEPUJKR-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)[O-])[O-]
FormulaC2 O4
NameOXALATE ION
ChEMBL
DrugBank
ZINC
PDB chain1dwk Chain J Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1dwk Structure of Cyanase Reveals that a Novel Dimeric and Decameric Arrangement of Subunits is Required for Formation of the Enzyme Active Site.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		I120 S122
Binding residue
(residue number reindexed from 1)		I120 S122
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R96 E99 S122
Catalytic site (residue number reindexed from 1) R96 E99 S122
Enzyme Commision number 4.2.1.104: cyanase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0008824 cyanate hydratase activity
GO:0016829 lyase activity
Biological Process
GO:0009439 cyanate metabolic process
GO:0009440 cyanate catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1dwk, PDBe:1dwk, PDBj:1dwk
PDBsum1dwk
PubMed10801492
UniProtP00816|CYNS_ECOLI Cyanate hydratase (Gene Name=cynS)

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