Structure of PDB 2ivq Chain J Binding Site BS01

Receptor Information
>2ivq 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
QALPADAARLVGAKLDLDEDSILLLQMIPLRGCIDDRIPTDPTMYKFYEM
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 chain2ivq Chain J Residue 1159 [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]
PDB2ivq Structure of Cyanase Reveals that a Novel Dimeric and Decameric Arrangement of Subunits is Required for Formation of the Enzyme Active Site.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S122 I124
Binding residue
(residue number reindexed from 1)		S122 I124
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K96 E99 S122
Catalytic site (residue number reindexed from 1) K96 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:2ivq, PDBe:2ivq, PDBj:2ivq
PDBsum2ivq
PubMed
UniProtP00816|CYNS_ECOLI Cyanate hydratase (Gene Name=cynS)

[Back to BioLiP]