Structure of PDB 6wu6 Chain A Binding Site BS01

Receptor Information
>6wu6 Chain A (length=470) Species: 409438 (Escherichia coli SE11) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLPVREFDAVVIGAGGAGMRAALQISQSGQTCALLSKVFPTRSHTVSAQG
GITVALGNTHEDNWEWHMYDTVKGSDYIGDQDAIEYMCKTGPEAILELEH
MGLPFSRLDDGRIYQRPFGGQARTAAAADRTGHALLHTLYQQNLKNHTTI
FSEWYALDLVKNQDGAVVGCTALCIETGEVVYFKARATVLATGGAGRIYQ
STTNAHINTGDGVGMAIRAGVPVQDMEMWQFHPPTCHYMMGGIPTKVTGQ
ALTVNEKGEDVVVPGLFAVGEIACVSVHGANRLGGNSLLDLVVFGRAAGL
HLQESIAEQGALRDASESDVEASLDRLNRWNNNRNGEDPVAIRKALQECM
QHNFSVFREGDAMAKGLEQLKVIRERLKNARLDDTSSEFNTQRVECLELD
NLMETAYATAVSANFRTESRGAHSRFDFPDRDDENWLCHSLYLPESESMT
RRSVNMEPKLRPAFPPKIRT
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 chain6wu6 Chain A 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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PDB6wu6 A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		G14 A15 G16 G17 A18 T46 S48 A49 Q50 Y165 T202 D221 H354 E388 R399 G402 N403 S404 L405 L408
Binding residue
(residue number reindexed from 1)		G13 A14 G15 G16 A17 T45 S47 A48 Q49 Y155 T192 D211 H237 E271 R282 G285 N286 S287 L288 L291
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 13:58:32 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 = '6wu6', asym_id = 'A', bs = 'BS01', title = "A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins. "
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6wu6', asym_id='A', bs='BS01', title="A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins. ")
   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 = '0006099,0016491,0016627,0022900,0050660', uniprot = '', pdbid = '6wu6', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0006099,0016491,0016627,0022900,0050660', uniprot='', pdbid='6wu6', 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>