Structure of PDB 8cbz Chain L Binding Site BS01

Receptor Information
>8cbz Chain L (length=211) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIELTQSPAVMSAFPGEEVTMTCSASSSINYMHWYQQKPGTSPKRWIYDT
SKLASGVPARFSGSGSGTSYSLTISSMEAEDAATYYCHQRSIFTFGSGTK
LEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGS
ERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTS
PIVKSFNRNEC
Ligand information
Ligand IDC0R
InChIInChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
InChIKeyOMFXVFTZEKFJBZ-HJTSIMOOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O
OpenEye OEToolkits 1.5.0CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O
CACTVS 3.341C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2C(=O)CO
ACDLabs 10.04O=C(CO)C3C2(CC(O)C4C1(C(=CC(=O)CC1)CCC4C2CC3)C)C
CACTVS 3.341C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
FormulaC21 H30 O4
NameCORTICOSTERONE;
(11-BETA)-11,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE
ChEMBLCHEMBL110739
DrugBankDB04652
ZINCZINC000013513592
PDB chain8cbz Chain H Residue 301 [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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PDB8cbz Structural insight to elucidate the binding specificity of the anti-cortisol Fab fragment with glucocorticoids.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		R90 S91 F93
Binding residue
(residue number reindexed from 1)		R90 S91 F93
Annotation score4
External links