Structure of PDB 3whx Chain A Binding Site BS01

Receptor Information
>3whx Chain A (length=211) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVQLQQSGAELVKPGASVKLSCKASGYTFTEYFIHWVKQRSGQGLEWIGW
FYPGSGSLNYNGKFKDKATFTADKSSSTVYLELSRLTSEDSAVYFCASHA
YDKEPYWGQGTLVTVSAAKTTPPSVYPLAPGSMVTLGCLVKGYFPEPVTV
TWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPAS
STKVDKKIVPR
Ligand information
Ligand IDXPG
InChIInChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
InChIKeyGMVPRGQOIOIIMI-DWKJAMRDSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CCCCCCC1C(=O)CC(O)C1/C=C/C(O)CCCCC
OpenEye OEToolkits 1.7.6CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O
OpenEye OEToolkits 1.7.6CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O
CACTVS 3.385CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
CACTVS 3.385CCCCC[CH](O)C=C[CH]1[CH](O)CC(=O)[CH]1CCCCCCC(O)=O
FormulaC20 H34 O5
Name7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid;
Prostaglandin E1
ChEMBLCHEMBL495
DrugBankDB00770
ZINCZINC000003813088
PDB chain3whx Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3whx Crystal structure of anti-Prostaglandin E2 Fab fragment with Prostaglandin E2
Resolution1.7 Å
Binding residue
(original residue number in PDB)		F33 H35 H99 Y101 D102
Binding residue
(residue number reindexed from 1)		F33 H35 H99 Y101 D102
Annotation score4
External links