Structure of PDB 7eme Chain B Binding Site BS01

Receptor Information
>7eme Chain B (length=412) Species: 173 (Leptospira interrogans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTVIVMGGGISGLYASYLLSKTGIKVQLIEATDRLGGRIRTVTDVSGNFL
DLGAEWIQAEHRTAKSLIRELGLKTTDFEVQSDLFFGSYRKFGTWDISPK
SQEILNKLVQMNSKINSTQQQELDRISFYNFLNYQGMSLEDLNILNFKYS
LYYGDSLRSLSAQKVLSDLVNFPKYNTRVEGGMETLTRALVSSLENTEII
FSDPVVSVSQGEGKVIVTTVSGKKIEGNACISTLPANQLTTIQWDPELDK
EKKLSALRIRYSRIYKTFLMLREAPWTRGSFSAYSDSVAGFIYDAGTKIN
SEDKILGMISTGDRYDILASSTDAMKVEYIRLALESLGQGRELQVLRIQS
SETSQSKFIPTGIATFPPGSYGSIISLLKPMDRIFFAGEHTAELNGTVEG
ALASAIRAVNQV
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 chain7eme Chain B 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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PDB7eme Structural characterization of a putative recombinant L-amino acid oxidase from Leptospira interrogans
Resolution1.78 Å
Binding residue
(original residue number in PDB)		G42 G44 S46 E65 A66 G72 R73 A89 E90 W91 Y210 P239 V240 L269 Q273 F393 I394 G397 G423 E424 G431 T432 V433
Binding residue
(residue number reindexed from 1)		G7 G9 S11 E30 A31 G37 R38 A54 E55 W56 Y175 P204 V205 L234 Q238 F358 I359 G362 G388 E389 G396 T397 V398
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 23 04:09:53 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 = '7eme', asym_id = 'B', bs = 'BS01', title = 'Structural characterization of a putative recomb... L-amino acid oxidase from Leptospira interrogans'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7eme', asym_id='B', bs='BS01', title='Structural characterization of a putative recomb... L-amino acid oxidase from Leptospira interrogans')
   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', uniprot = '', pdbid = '7eme', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491', uniprot='', pdbid='7eme', asym_id='B')
    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>