Structure of PDB 8cbz Chain H Binding Site BS01

Receptor Information
>8cbz Chain H (length=221) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQLVESGGGLVKPGGSLKLSCAASGFAFGNYDMSWVRQTPEKRLEWVAF
IGSGGGRIYYGDTMKGRFTISRDNAKNTLYLQMSSLKSEDTAMYYCTRHY
NYYYSMDYWGQGTSVIVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKG
YFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVT
CNVAHPASSTKVDKKIVPRDC
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)		W47 F50 R57 Y59 Y60 D62 Y104
Binding residue
(residue number reindexed from 1)		W47 F50 R57 Y59 Y60 D62 Y104
Annotation score4
External links