Structure of PDB 8k6x Chain C Binding Site BS01

Receptor Information
>8k6x Chain C (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 IDVQO
InChIInChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/p-1
InChIKeyZHNUHDYFZUAESO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(=N)[O-]
CACTVS 3.385[O-]C=N
OpenEye OEToolkits 2.0.7[H]/N=C\[O-]
FormulaC H2 N O
Namemethanimidate
ChEMBL
DrugBank
ZINC
PDB chain8k6x Chain C Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8k6x Structural mechanism of Escherichia coli cyanase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		I120 S122
Binding residue
(residue number reindexed from 1)		I120 S122
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
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Biological Process
External links
PDB RCSB:8k6x, PDBe:8k6x, PDBj:8k6x
PDBsum8k6x
PubMed37971797
UniProtP00816|CYNS_ECOLI Cyanate hydratase (Gene Name=cynS)

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