Structure of PDB 6y4j Chain A Binding Site BS01

Receptor Information
>6y4j Chain A (length=426) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAPSRANTKVIVVGGGGTIGSSTALHLVRSGYTPSNVTVLDAYPIPSSQS
AGNDLNKIMDADADPAADAARQMWNEDELFKKFFHNTGRLDCAHGEKDIA
DLKKRYQNLVDWGLDATVEWLDSEDEILKRMPQLTRDQIKGWKAIFSKDG
GWLAAAKAIKAIGEYLRDQGVRFGFYGAGSFKQPLLAEGVCIGVETVDGT
RYYADKVVLAAGAWSPTLVELQEQCVSKAWVYGHIQLTPEEAARYKNSPV
VYNGDVGFFFEPNEHGIIKVCDEFPGFTRFKMHQPFGAKAPKRISVPRSH
AKHPTDTIPDASIVRIRRAIATFMPQFKNKPLFNQAMCWCTDTADGHLLI
CEHPEWKNFYLATGDSGDSFKLLPIIGKYVVELLEGTLADELAHKWRWRP
GSGDALKSRREAPAKDLADMPGWNHD
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 chain6y4j 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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PDB6y4j Rational backbone redesign of a fructosyl peptide oxidase to widen its active site access tunnel.
Resolution1.38 Å
Binding residue
(original residue number in PDB)		G14 G17 T18 I19 D41 A42 S47 Q49 S50 A51 K57 I58 G179 S180 F181 A211 G212 W214 L218 C338 C340 D365 G367 D368 S369 F370 K371
Binding residue
(residue number reindexed from 1)		G14 G17 T18 I19 D41 A42 S47 Q49 S50 A51 K57 I58 G179 S180 F181 A211 G212 W214 L218 C338 C340 D365 G367 D368 S369 F370 K371
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 23 03:36:26 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 = '6y4j', asym_id = 'A', bs = 'BS01', title = 'Rational backbone redesign of a fructosyl peptide oxidase to widen its active site access tunnel.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6y4j', asym_id='A', bs='BS01', title='Rational backbone redesign of a fructosyl peptide oxidase to widen its active site access tunnel.')
   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 = '0016491,0050660', uniprot = '', pdbid = '6y4j', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491,0050660', uniprot='', pdbid='6y4j', 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>