Structure of PDB 4m4g Chain A Binding Site BS01

Receptor Information
>4m4g Chain A (length=239) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EHTWPDKGSLYIATTHTQARYALPGVIKGFIERYPRVSLHMHQGSPTQIA
EAVSKGNADFAIATEALHLYDDLVMLPCYHWNRSIVVTPDHPLAATSSVT
IEALAQYPLVTYTFGFTGRSELDTAFNRAGLTPRIVFTATDADVIKTYVR
LGLGVGVIASMAVDPLADPDLVRIDAHDIFSHSTTKIGFRRSTFLRSYMY
DFIQRFAPHLTRDVVDTAVALRSNEEIEAMFQDIKLPEK
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 chain4m4g Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4m4g Crystal structure of ligand binding domain of CysB, a LysR member from Salmonella typhimurium LT2 in complex with effector ligand, N-acetylserine
Resolution2.7 Å
Binding residue
(original residue number in PDB)		T100 H101 T102 Q103 F201 G203
Binding residue
(residue number reindexed from 1)		T15 H16 T17 Q18 F116 G118
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4m4g, PDBe:4m4g, PDBj:4m4g
PDBsum4m4g
PubMed
UniProtP06614|CYSB_SALTY HTH-type transcriptional regulator CysB (Gene Name=cysB)

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