Structure of PDB 8ot8 Chain D Binding Site BS01

Receptor Information
>8ot8 Chain D (length=399) Species: 2900548 (Actinomycetota bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NWAGNVVYRASELHRPASLDELRRVVARSPKVRVLGSGHSFNEITDTEGA
LVSLEALPPEVEIDRATGTARVAAGLRYGELSARLHAAGYALPNLASLPH
ICVAGACATGTHGSGDGIGGLAGSVTAVELVTADGDLVTLSRDADPDRFP
GAVVSLGALGAVVTMTLRLEPAFQVRQRVYENLPAEALDDHFDEIMASGY
SVSLFTDWRGDRIRQVWVKERVPVVAALGATPADGPRHPVPGMPAANCTE
QLGVPGPWHERLPHFELQAEYLLPRRHAVAAFHALAGIADRIAPVLHISE
IRTVAADDLWLSPFHGRNTVAFHFTWKPDEAAVREVLSLMEEVLAPFEPR
PHWGKLFAIPPKVLRSRYDRIGDFRALARELDPSGKFANAFVAHHVLDD
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 D 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 R39 V40 G42 S43 G44 H45 S46 F47 I50 T51 A102 S103 L104 I107 C108 A110 G111 T115 T117 H118 L162 G163 V168 Q295 H379 G381 K382
Binding residue
(residue number reindexed from 1)		W2 R33 V34 G36 S37 G38 H39 S40 F41 I44 T45 A96 S97 L98 I101 C102 A104 G105 T109 T111 H112 L156 G157 V162 Q268 H352 G354 K355
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 30 19:20:14 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 = 'D', bs = 'BS01', title = 'Discovery and biochemical characterization of thermostable glycerol oxidases.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8ot8', asym_id='D', 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 = 'D'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003885,0016020,0016899,0050660,0071949', uniprot='', pdbid='8ot8', asym_id='D')
    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>