Structure of PDB 4y42 Chain B Binding Site BS01

Receptor Information
>4y42 Chain B (length=155) Species: 399741 (Serratia proteamaculans 568) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQSLHYSSPRETLTDTIMMAKIRKNLTFEAINQGTGLSLAFVTAALLGQH
PLPEQAARVVAEKLDLDEDAIRLLQTIPLRGSIPGGVPTDPTIYRFYEMV
QIYGSTLKALVHEQFGDGIISAINFKLDIKKVPDPDGGERAVITLDGKYL
PTKPF
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain4y42 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4y42 Serendipitous crystallization and structure determination of cyanase (CynS) from Serratia proteamaculans
Resolution2.09 Å
Binding residue
(original residue number in PDB)		N125 K149
Binding residue
(residue number reindexed from 1)		N124 K148
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R96 E99 S122
Catalytic site (residue number reindexed from 1) R95 E98 S121
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

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Molecular Function
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Biological Process
External links
PDB RCSB:4y42, PDBe:4y42, PDBj:4y42
PDBsum4y42
PubMed25849512
UniProtA8GBZ7|CYNS_SERP5 Cyanate hydratase (Gene Name=cynS)

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