Structure of PDB 8wkr Chain B Binding Site BS01

Receptor Information
>8wkr Chain B (length=404) Species: 644042 (Lactiplantibacillus plantarum JDM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPENYHFETLQVHAGQTVDETGARAVPIYQTTSYVFKRLTNPTTDVVDKR
VAALEHGTAGVTLATGSAAITAAILNIAQQGDEIVAANTLYGGTYDLFSV
TLKKLGITTHFVDPDEPANFETAINDHTKALYVESIGNPGINLVDFEAIG
KIAHDHGIIFIVDNTFGTPYLVRPLEHGADVVVHSATFIGGHGTTMGGVI
VEGGQFDWRASGKYPDFTTPDPQYNGLVFADLGGAAFTTKVRAETLRDTG
ATISPFNSFLLLQGLESLSLRVERHVTNTRKIVAFLKAHPKVAWINYPEL
EDSPYHDLATKYFPNGVGSIFTLGLTGGEAAGKALIEHLQLFSLLANVAD
AKSLIIHPASTTHAQLNEQELLAAGVTPDLIRISVGVENADDLIADLDQA
LAQV
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain8wkr Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wkr Allosteric regulation of an acidophilic O-acetylhomoserine sulfhydrylase from Lactobacillus plantarum
Resolution2.05 Å
Binding residue
(original residue number in PDB)		H216 Q287 S291
Binding residue
(residue number reindexed from 1)		H192 Q263 S267
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003961 O-acetylhomoserine aminocarboxypropyltransferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0018826 methionine gamma-lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0019346 transsulfuration
GO:0071266 'de novo' L-methionine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8wkr, PDBe:8wkr, PDBj:8wkr
PDBsum8wkr
PubMed38568076
UniProtA0A0G9F7S9

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