Structure of PDB 1bfv Chain L Binding Site BS02

Receptor Information
>1bfv Chain L (length=113) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIELTQSPPSLPVSLGDQVSISCRSSQSLVSNNRRNYLHWYLQKPGQSPK
LVIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVAAEDLGLYFCSQSSHVP
LTFGSGTKLEIKR
Ligand information
Ligand IDSTG
InChIInChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1
InChIKeyUZKIAJMSMKLBQE-JRSYHJKYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C]12CC[CH]3[CH](CCc4cc(O[CH]5O[CH]([CH](O)[CH](O)[CH]5O)C(O)=O)ccc34)[CH]1C[CH](O)[CH]2O
ACDLabs 10.04O=C(O)C5OC(Oc1ccc2c(c1)CCC3C4CC(O)C(O)C4(C)CCC23)C(O)C(O)C5O
OpenEye OEToolkits 1.5.0CC12CCC3c4ccc(cc4CCC3C1CC(C2O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O
CACTVS 3.341C[C@]12CC[C@H]3[C@@H](CCc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
OpenEye OEToolkits 1.5.0C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
FormulaC24 H32 O9
NameESTRIOL 3-(B-D-GLUCURONIDE)
ChEMBLCHEMBL1236070
DrugBank
ZINCZINC000008234405
PDB chain1bfv Chain H Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bfv Antibody fragment Fv4155 bound to two closely related steroid hormones: the structural basis of fine specificity.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		V99 P100
Binding residue
(residue number reindexed from 1)		V99 P100
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003823 antigen binding
Biological Process
GO:0002250 adaptive immune response
GO:0006955 immune response
Cellular Component
GO:0005615 extracellular space
GO:0019814 immunoglobulin complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1bfv, PDBe:1bfv, PDBj:1bfv
PDBsum1bfv
PubMed9261086
UniProtP01631|KV2A7_MOUSE Ig kappa chain V-II region 26-10

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