Structure of PDB 4zbt Chain A Binding Site BS01
Receptor Information
>4zbt Chain A (length=260) Species:
749414
(Streptomyces bingchenggensis BCW-1) [
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MKGYTVPLSPRGIANLAPAPPWHYAGTVVGVEFFTDPAAAAATLPEGLTP
DPDSAGRGVAMFIDWQYSSTGLEYLDPARSQYREFLITLDAHCNGAPVAW
CPYIYVDNDAAMARGWVQGFPKKLGAVHQTRAYSVGGPGTPVLGPGGQFG
ATASSAGQRIAEAKITLEQPVPDPAALMSRPVINLRHFPRLAAGQHDQPA
VHELVMSVLDDTAVSDAWVGTADLAFLPAHGEELADLPVRRTGKGFHFDL
AYTVTDLMTL
Ligand information
Ligand ID
PYR
InChI
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKey
LCTONWCANYUPML-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6
CC(=O)C(=O)O
ACDLabs 12.01
O=C(C(=O)O)C
Formula
C3 H4 O3
Name
PYRUVIC ACID
ChEMBL
CHEMBL1162144
DrugBank
DB00119
ZINC
ZINC000001532517
PDB chain
4zbt Chain A Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
4zbt
Sbi00515, a Protein of Unknown Function from Streptomyces bingchenggensis, Highlights the Functional Versatility of the Acetoacetate Decarboxylase Scaffold.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
Y24 Y82 A111 R114 Q118 K122
Binding residue
(residue number reindexed from 1)
Y24 Y82 A111 R114 Q118 K122
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0016829
lyase activity
View graph for
Molecular Function
External links
PDB
RCSB:4zbt
,
PDBe:4zbt
,
PDBj:4zbt
PDBsum
4zbt
PubMed
26039798
UniProt
D7C0E5
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