Structure of PDB 8k6x Chain A Binding Site BS01

Receptor Information
>8k6x Chain A (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 IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain8k6x Chain A Residue 205 [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 score5
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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