Structure of PDB 8k6h Chain I Binding Site BS01

Receptor Information
>8k6h Chain I (length=156) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIQSQINRNIRLDLADAILLSKAKKDLSFAEIADGTGLAEAFVTAALLGQ
QALPADAARLVGAKLDLDEDSILLLQMIPLRGCIDDRIPTDPTMYRFYEM
LQVYGTTLKALVHEKFGDGIISAINFKLDVKKVADPEGGERAVITLDGKY
LPTKPF
Ligand information
Ligand ID0NM
InChIInChI=1S/CHNO/c2-1-3/h3H
InChIKeyXLJMAIOERFSOGZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC#N
OpenEye OEToolkits 1.7.6C(#N)O
ACDLabs 12.01N#CO
FormulaC H N O
Namecyanic acid
ChEMBLCHEMBL1161700
DrugBank
ZINC
PDB chain8k6h Chain I Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8k6h Structural mechanism of Escherichia coli cyanase.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		I120 S122 A123
Binding residue
(residue number reindexed from 1)		I120 S122 A123
Annotation score1
Enzymatic activity
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
View graph for
Biological Process
External links
PDB RCSB:8k6h, PDBe:8k6h, PDBj:8k6h
PDBsum8k6h
PubMed37971797
UniProtP00816|CYNS_ECOLI Cyanate hydratase (Gene Name=cynS)

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