Structure of PDB 8adq Chain A Binding Site BS04

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 IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8adq Chain A Residue 309 [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)		E145 D171
Binding residue
(residue number reindexed from 1)		E146 D172
Annotation score4
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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