Structure of PDB 8jv1 Chain A Binding Site BS01

Receptor Information
>8jv1 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 IDABU
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NCCCC(O)=O
ACDLabs 12.01O=C(O)CCCN
OpenEye OEToolkits 1.7.0C(CC(=O)O)CN
FormulaC4 H9 N O2
NameGAMMA-AMINO-BUTANOIC ACID;
GAMMA(AMINO)-BUTYRIC ACID
ChEMBLCHEMBL96
DrugBankDB02530
ZINCZINC000001532620
PDB chain8jv1 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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PDB8jv1 Structure of the SAR11 PotD in complex with GABA
Resolution1.309 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 score4
External links