Structure of PDB 9fdd Chain D Binding Site BS01

Receptor Information
>9fdd Chain D (length=324) Species: 570 (Klebsiella) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLQQLRYIVEVVNHNLNVSSTAEGLYTSQPGISKQVRMLEDELGIQIFA
RSGKHLTQVTPAGQEIIRIAREVLSKVDAIKSVAGEHTWPDKGSLYVATT
HTQARYALPGVIKGFIERYPRVSLHMHQGSPTQIAEAVSKGNADFAIATE
ALHLYDDLVMLPCYHWNRSIVVTPEHPLATKGSVSIEELAQYPLVTYTFG
FTGRSELDTAFNRAGLTPRIVFTATDADVIKTYVRLGLGVGVIASMAVDP
VSDPDLVKLDANGIFSHSTTKIGFRRSTFLRSYMYDFIQRFAPHLTRDVV
DTAVALRSNEDIEAMFKDIKLPEK
Ligand information
Ligand IDSAC
InChIInChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1
InChIKeyJJIHLJJYMXLCOY-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](CO)C(=O)O
OpenEye OEToolkits 1.5.0CC(=O)NC(CO)C(=O)O
CACTVS 3.341CC(=O)N[C@@H](CO)C(O)=O
ACDLabs 10.04O=C(O)C(NC(=O)C)CO
CACTVS 3.341CC(=O)N[CH](CO)C(O)=O
FormulaC5 H9 N O4
NameN-ACETYL-SERINE
ChEMBL
DrugBankDB02340
ZINCZINC000000158173
PDB chain9fdd Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9fdd The Structure of the LysR-type Transcriptional Regulator, CysB, Bound to the Inducer, N-acetylserine.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		T100 T102 Q103 T149 E150 W166 Y197
Binding residue
(residue number reindexed from 1)		T100 T102 Q103 T149 E150 W166 Y197
Annotation score4
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0003677 DNA binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0019344 cysteine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:9fdd, PDBe:9fdd, PDBj:9fdd
PDBsum9fdd
PubMed38976018
UniProtP45600|CYSB_KLEPN HTH-type transcriptional regulator CysB (Gene Name=cysB)

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