Structure of PDB 8adq Chain A Binding Site BS01

Receptor Information
>8adq Chain A (length=252) Species: 392499 (Rhizorhabdus wittichii RW1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHNKVRTCWNEGRPALAGWLQLPGTLHAEALARLDYDAVVIDMQHSPIDF
GQVAPMLIAIELGGAEPFVRTQVNDPSDIMKLLDAGAYGIIAPMVNTRAE
AQTLASALHYSPRGLRSFGPRRPSLRYGSGYLAQASETVVGLAMIETREA
LANIDEILSVDGIDGVFIGPTDLALDLGHAPLVDTEEAEVVSAIAHVRER
AHAAGKRVGIFCGSGGFARVKLAEGFDFVTAAPDLAMLSAAARQVIADAR
AL
Ligand information
Ligand ID3PY
InChIInChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)
InChIKeyHHDDCCUIIUWNGJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CO
CACTVS 3.341OCC(=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)O
FormulaC3 H4 O4
Name3-HYDROXYPYRUVIC ACID
ChEMBLCHEMBL1230192
DrugBankDB02951
ZINCZINC000001532558
PDB chain8adq Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8adq Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		W18 R69 M143 E145 G168 P169 T170 D171 F210
Binding residue
(residue number reindexed from 1)		W19 R70 M144 E146 G169 P170 T171 D172 F211
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016832 aldehyde-lyase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:8adq, PDBe:8adq, PDBj:8adq
PDBsum8adq
PubMed36214476
UniProtA0A9J9HGY6

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