Structure of PDB 4lq5 Chain A Binding Site BS02

Receptor Information
>4lq5 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 IDOAS
InChIInChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyVZXPDPZARILFQX-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)OC[C@@H](C(=O)O)N
CACTVS 3.341CC(=O)OC[CH](N)C(O)=O
CACTVS 3.341CC(=O)OC[C@H](N)C(O)=O
ACDLabs 10.04O=C(OCC(N)C(=O)O)C
OpenEye OEToolkits 1.5.0CC(=O)OCC(C(=O)O)N
FormulaC5 H9 N O4
NameO-ACETYLSERINE
ChEMBLCHEMBL1234916
DrugBankDB01837
ZINCZINC000000895446
PDB chain4lq5 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4lq5 rystal structure of ligand binding domain of CysB, a LysR member from Salmonella typhimurium LT2 in complex with effector ligand, O-acetylserine at 2.8A
Resolution2.803 Å
Binding residue
(original residue number in PDB)		K320 L321 P322 E323
Binding residue
(residue number reindexed from 1)		K235 L236 P237 E238
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4lq5, PDBe:4lq5, PDBj:4lq5
PDBsum4lq5
PubMed
UniProtP06614|CYSB_SALTY HTH-type transcriptional regulator CysB (Gene Name=cysB)

[Back to BioLiP]