Structure of PDB 8wch Chain B Binding Site BS01

Receptor Information
>8wch Chain B (length=396) Species: 335992 (Candidatus Pelagibacter ubique HTCC1062) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AENVKIGVLYPLTGPVAQVGKDAVAAVQTALDIINNSHNIPGMPLAKDAG
LKGLGGGKISIVVGDHGGKPDIGVGETEKMLNSDKVHAMFGAYYSSVTGA
ASQVSERAGIPWVNGESTSPKLTTRGFKYFFRVTPHDGEFTQLMFEFMDD
FNTKNGNKLKTLGIIHEDTLWGADSGGTQNTMAKDKGYKVVEKISYKAKT
TSLSSEVQRLKAKNPDVLLPSSYTADAYLFLNTAKELDYNPKLLVAQNAG
YTDPKFIATMGSKAEGVITRSPFNTDLATTIPMIGTVNEIFKTHSGGRDL
SDVPARAFTGFMALANAINNAGSTDPEKIRQALVDLDMSSDSLIVPYRGI
KFGADGQNEKTRGILMQVQDGKYCTVYPFELAACKLQYPMPTWSQK
Ligand information
Ligand IDPCA
InChIInChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKeyODHCTXKNWHHXJC-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CC(=O)N[C@@H]1C(=O)O
CACTVS 3.341OC(=O)[CH]1CCC(=O)N1
ACDLabs 10.04O=C(O)C1NC(=O)CC1
CACTVS 3.341OC(=O)[C@@H]1CCC(=O)N1
OpenEye OEToolkits 1.5.0C1CC(=O)NC1C(=O)O
FormulaC5 H7 N O3
NamePYROGLUTAMIC ACID
ChEMBLCHEMBL397976
DrugBankDB03088
ZINCZINC000003598263
PDB chain8wch Chain B 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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PDB8wch Crystal structure of SAR11_0655 bound to a co-purified ligand, L-pyroglutamate
Resolution1.519 Å
Binding residue
(original residue number in PDB)		Y114 Y115 S116 E137 S138 T139 W192 Y244 X269 R291 R327
Binding residue
(residue number reindexed from 1)		Y93 Y94 S95 E116 S117 T118 W171 Y223 X248 R270 R306
Annotation score4
External links