Structure of PDB 6oyv Chain B Binding Site BS01

Receptor Information
>6oyv Chain B (length=446) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPGPFPWPPHLSFARLARRYGDVFQIRLGSCPVVVLNGERAIRQALVQQG
AAFAGRPPFPSFQVVSGGRSLAFGRYSERWKVQRRVAHSTVRAFSTGQPR
SRRVLEQHVLGEARELVRLLVRGSAGGAFLDPAPLTVVAVANVMSAVCFG
CRYSHDDAEFRGLLSHNEKFGRTVGAGSLVDVLPWLQRFPNPVRTAFRDF
QQLNRDFYSFVLDKFLRHRSSLRPGAAPRDMMDAFIHTVPRLDLEYVPAT
VTDIFGASQDTLSTALQWLLILFTRYPEVQARVQEELDRVVGRDRLPCMD
DQPHLPYVMAFLYEAMRFSSFVPVTIPHATTADTSIMGYHIPKDTVVFVN
QWSVNHDPVKWPNPEDFNPARFLNKDLASSVMIFSVGKRRCIGEELSKMQ
LFLFISILAHQCNFRANPDEDSKMDFSYGLTIKPKSFTINVTLRST
Ligand information
Ligand IDEST
InChIInChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChIKeyVOXZDWNPVJITMN-ZBRFXRBCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC12CCC3c4ccc(cc4CCC3C1CCC2O)O
OpenEye OEToolkits 1.5.0C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O
CACTVS 3.341C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[CH]2O
CACTVS 3.341C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
ACDLabs 10.04Oc1cc4c(cc1)C3CCC2(C(CCC2O)C3CC4)C
FormulaC18 H24 O2
NameESTRADIOL
ChEMBLCHEMBL135
DrugBankDB00783
ZINCZINC000013520815
PDB chain6oyv Chain B Residue 601 [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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PDB6oyv Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability.
Resolution3.101 Å
Binding residue
(original residue number in PDB)		F134 G329 A330 L509
Binding residue
(residue number reindexed from 1)		F73 G256 A257 L430
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 05:57:37 2024

A problem occurred in a Python script. Here is the sequence of function calls leading up to the error, in the order they occurred.

 /var/www/html/BioLiP/pdb.cgi in <module>()
   1435     title=pdb2title(pdbid)
   1436     if bs.startswith("BS"):
=> 1437         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)
   1438     else:
   1439         if lig3:
pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '6oyv', asym_id = 'B', bs = 'BS01', title = 'Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6oyv', asym_id='B', bs='BS01', title='Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability.')
   1295         display_ec(ec,csaOrig,csaRenu)
   1296     if go:
=> 1297         display_go(go,uniprot,pdbid,asym_id)
   1298     return pubmed,uniprot
   1299 
global display_go = <function display_go>, go = '0004497,0005506,0016705,0020037', uniprot = '', pdbid = '6oyv', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004497,0005506,0016705,0020037', uniprot='', pdbid='6oyv', asym_id='B')
    480         '''.replace("$namespace_link",namespace_link
    481           ).replace("$namespace",namespace
=>  482           ).replace("$uniprot",u
    483         ))
    484         for l,(term,name) in enumerate(go2aspect[Aspect]):
u undefined

UnboundLocalError: local variable 'u' referenced before assignment
      args = ("local variable 'u' referenced before assignment",)
      with_traceback = <built-in method with_traceback of UnboundLocalError object>