Structure of PDB 2iv1 Chain I Binding Site BS01

Receptor Information
>2iv1 Chain I (length=156) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIQSQINRNIRLDLADAILLSKAKKDLSFAEIADGTGLAEAFVTAALLGQ
QALPADAARLVGAKLDLDEDSILLLQMIPLRGCIDDRIPTDPTMYQFYEM
LQVYGTTLKALVHEKFGDGIISAINFKLDVKKVADPEGGERAVITLDGKY
LPTKPF
Ligand information
Ligand IDCL
InChIInChI=1S/ClH/h1H/p-1
InChIKeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cl-]
FormulaCl
NameCHLORIDE ION
ChEMBL
DrugBankDB14547
ZINC
PDB chain2iv1 Chain I Residue 1159 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2iv1 Structure of Cyanase Reveals that a Novel Dimeric and Decameric Arrangement of Subunits is Required for Formation of the Enzyme Active Site.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		R11 P79 L80
Binding residue
(residue number reindexed from 1)		R11 P79 L80
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q96 E99 S122
Catalytic site (residue number reindexed from 1) Q96 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

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Molecular Function
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Biological Process
External links
PDB RCSB:2iv1, PDBe:2iv1, PDBj:2iv1
PDBsum2iv1
PubMed
UniProtP00816|CYNS_ECOLI Cyanate hydratase (Gene Name=cynS)

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