Structure of PDB 5ys8 Chain B Binding Site BS03

Receptor Information
>5ys8 Chain B (length=181) Species: 290338 (Citrobacter koseri ATCC BAA-895) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LANPAPLGLMGFGMTTILLNLHNAGFFALDGIILAMGIFYGGIAQIFAGL
LEYKKGNTFGLTAFTSYGSFWLTLVAILLMPKMGLTEAPNAQFLGAYLGL
WGVFTLFMFFGTLKAARALQFVFLSLTVLFALLAFGNIAGNEAVIHVAGW
IGLVCGASAIYLAMGEVLNEQFGRTILPIGE
Ligand information
Ligand ID78M
InChIInChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h8-9,17,19-20H,2-7,10-16H2,1H3/b9-8-/t17-/m0/s1
InChIKeyBJMLBVHMHXYQFS-JJEJIETFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCC=CCCCCCC(=O)OCC(CO)O
ACDLabs 12.01O=C(OCC(O)CO)CCCCC\C=C/CCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O
CACTVS 3.370CCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
CACTVS 3.370CCCCCCC\C=C/CCCCCC(=O)OC[C@@H](O)CO
FormulaC18 H34 O4
Name(2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE;
7.8 MONOACYLGLYCEROL
ChEMBL
DrugBank
ZINCZINC000098208564
PDB chain5ys8 Chain B Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ys8 Succinate-acetate permease from Citrobacter koseri is an anion channel that unidirectionally translocates acetate
Resolution2.798 Å
Binding residue
(original residue number in PDB)		L55 Y58 K59
Binding residue
(residue number reindexed from 1)		L50 Y53 K54
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015360 acetate:proton symporter activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0035433 acetate transmembrane transport
GO:0071422 succinate transmembrane transport
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ys8, PDBe:5ys8, PDBj:5ys8
PDBsum5ys8
PubMed29588525
UniProtA8ALU5

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