Structure of PDB 8ot8 Chain A Binding Site BS01

Receptor Information
>8ot8 Chain A (length=412) Species: 2900548 (Actinomycetota bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STNWAGNVVYRASELHRPASLDELRRVVARSPKVRVLGSGHSFNEITDTE
GALVSLEALPPEVEIDRATGTARVAAGLRYGELSARLHAAGYALPNLASL
PHICVAGACATGTHGSGDGIGGLAGSVTAVELVTADGDLVTLSRDADPDR
FPGAVVSLGALGAVVTMTLRLEPAFQVRQRVYENLPAEALDDHFDEIMAS
GYSVSLFTDWRGDRIRQVWVKERVEPVVAALGATPADGPRHPVPGMPAAN
CTEQLGVPGPWHERLPHFRLGFTPSSGDELQAEYLLPRRHAVAAFHALAG
IADRIAPVLHISEIRTVAADDLWLSPFHGRNTVAFHFTWKPDEAAVREVL
SLMEEVLAPFEPRPHWGKLFAIPPKVLRSRYDRIGDFRALARELDPSGKF
ANAFVAHHVLDD
Ligand information
Ligand IDFAD
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain8ot8 Chain A Residue 501 [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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PDB8ot8 Discovery and biochemical characterization of thermostable glycerol oxidases.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		W8 V40 G42 S43 G44 H45 S46 F47 I50 T51 A102 S103 L104 A110 G111 A112 A114 T115 T117 H118 V168 Q295 H379 K382
Binding residue
(residue number reindexed from 1)		W4 V36 G38 S39 G40 H41 S42 F43 I46 T47 A98 S99 L100 A106 G107 A108 A110 T111 T113 H114 V164 Q281 H365 K368
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 30 19:00:25 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 = '8ot8', asym_id = 'A', bs = 'BS01', title = 'Discovery and biochemical characterization of thermostable glycerol oxidases.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8ot8', asym_id='A', bs='BS01', title='Discovery and biochemical characterization of thermostable glycerol oxidases.')
   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 = '0003885,0016020,0016899,0050660,0071949', uniprot = '', pdbid = '8ot8', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003885,0016020,0016899,0050660,0071949', uniprot='', pdbid='8ot8', asym_id='A')
    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>