Structure of PDB 8jv4 Chain A Binding Site BS01

Receptor Information
>8jv4 Chain A (length=360) Species: 439493 (Candidatus Pelagibacter sp. HTCC7211) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAVTVVSWGGAYTESQKLGYGDPTAAKLGIPVNWVDYTGGLSEIKAQKEA
GAITWDIMDVYAKDTIIGCDEGIFHEFDFDKDFLPAPDGTPASQDFFTSM
PSKCAVGNILYSWNFAYNDAKIGDKKPKSIKDFFNTKKFPGKRAIYKGAM
SNLEIALVADGVKASGAQAGGDLLYRKMEGAGIDRALAKIKKLCTDPNGG
CVFWNAGAQPPELLANGEVVMATGWNGRFFNAQMEGTPLVQVWDAQILDY
EYFALVKDGPGYADGSAMKVLAEMTSTEGLAGSAKYIAYAPWRKSSIAIM
EAGEPWFKDGKTNMVPHMPTAPSNLKSHILMNPDYWADNQDEINEKWEAM
KAGLHHHHHH
Ligand information
Ligand IDDQY
InChIInChI=1S/C5H12O2S/c1-8(2)4-3-5(6)7/h8H,3-4H2,1-2H3,(H,6,7)
InChIKeyBBSYGEAKHYDEGI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2CS(C)CCC(=O)O
ACDLabs 12.01O=C(O)CCS(C)C
CACTVS 3.370C[SH](C)CCC(O)=O
FormulaC5 H12 O2 S
Name3-(dimethyl-lambda~4~-sulfanyl)propanoic acid
ChEMBL
DrugBank
ZINC
PDB chain8jv4 Chain A Residue 501 [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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PDB8jv4 Structure of the SAR11 PotD in complex with DMSP
Resolution1.445 Å
Binding residue
(original residue number in PDB)		W29 Y33 Y82 Y132 W246 R249 E272 Y310
Binding residue
(residue number reindexed from 1)		W8 Y12 Y61 Y111 W225 R228 E251 Y289
Annotation score1
External links