Structure of PDB 5vt3 Chain A Binding Site BS02

Receptor Information
>5vt3 Chain A (length=313) Species: 676 (Vibrio fluvialis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHSKLLILGSGPAGYTAAVYAARANLNPVLITGMQQGGQLTTTTEVENWP
GDPEGLTGPGLMDRMKEHAERFETEIIFDHINEVDFSTRPFVLKGDAASY
SCDALIISTGASAKYLGLESEEAFKGRGVSACATCDGFFYRNQKVAVVGG
GNTAVEEALYLSNIAAEVHLIHRRDSFRAEKILINRLMDKVQNGNIVLHT
DRVLDEVLGDEMGVTGVRLKDVKTGGTEELDVMGAFIAIGHSPNTQIFQG
QLDMKDGYILVKSGLEGNATQTSVEGIFAAGDVMDHNYRQAITSAGTGCM
AALDAERYLDSLN
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 chain5vt3 Chain A Residue 402 [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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PDB5vt3 High resolution structure of thioredoxin-disulfide reductase from Vibrio vulnificus CMCP6 in complex with NADP and FAD
Resolution1.98 Å
Binding residue
(original residue number in PDB)		G13 S14 G15 P16 A17 T36 G37 Q39 G42 Q43 L44 T47 N52 H84 I85 S112 T113 G114 H245 G285 D286 R293 Q294 A295 S298
Binding residue
(residue number reindexed from 1)		G9 S10 G11 P12 A13 T32 G33 Q35 G38 Q39 L40 T43 N48 H80 I81 S108 T109 G110 H241 G281 D282 R289 Q290 A291 S294
Annotation score2
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Apr 5 22:24:58 2025

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 = '5vt3', asym_id = 'A', bs = 'BS02', title = 'High resolution structure of thioredoxin-disulfi...rio vulnificus CMCP6 in complex with NADP and FAD'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5vt3', asym_id='A', bs='BS02', title='High resolution structure of thioredoxin-disulfi...rio vulnificus CMCP6 in complex with NADP and FAD')
   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 = '0004791,0005737,0016491,0019430', uniprot = '', pdbid = '5vt3', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004791,0005737,0016491,0019430', uniprot='', pdbid='5vt3', 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>