Structure of PDB 8jv2 Chain A Binding Site BS01

Receptor Information
>8jv2 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 IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain8jv2 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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PDB8jv2 Structure of the SAR11 PotD in complex with proline
Resolution1.3 Å
Binding residue
(original residue number in PDB)		W29 Y33 W246 R249 E272 Y310
Binding residue
(residue number reindexed from 1)		W8 Y12 W225 R228 E251 Y289
Annotation score4
External links