Structure of PDB 5j7x Chain A Binding Site BS01

Receptor Information
>5j7x Chain A (length=527) Species: 5059 (Aspergillus flavus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVLHLDALIIGSGFSGIYLLHKLRDELKLKVKIFEAESDIGGTWNNNRYP
GARVDCPVPFYAYSLPEVWQSWNWTELYPNQKEIKSYFDHVDRVLDVRKD
CLFHSRVNEGTFDEATGRWTVWTTDGKVATAKYLLVAVGFASKSYLPDWK
GLDSFKGTIYHSAHWPEAEEISVKGKKVAVIGTGSTGIQIFQEWAREAEE
AFLFQRTPNLCLPMRQQELHAADYLAECALTFGGLEYQQTPKNTFDASEE
EREAFWEDLYQMGGFRFWQNNYQDLLTSLDANREAYNFWARKTRARIQDP
KKRDLLAPLEPPYPFGTKRPSLEQDFYEQFNKSNVHIVDTKSQPIVGVTP
TGIVTADEKVHEVDIIAVATGFDAVTGGLLRLGLKDVNGVGLDERWKDGM
STYLGMAISGFPNMFLPYSLQAPTAFANGPTLIELQGDWITSLIRKMEME
NVQSVTATPHAESAWNDEVNMIANKTLLPLTDSWYMGSNIPGKPVQSLNY
LGGLPTYRERCAKVLDEDFFGFAKAHH
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 chain5j7x 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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PDB5j7x Structural and Catalytic Characterization of a Fungal Baeyer-Villiger Monooxygenase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		I18 G19 G21 F22 S23 E43 A44 G50 T51 W52 N54 V62 D63 C64 Y69 R114 V115 A145 V146 R337 F390 Y436 N446 G447
Binding residue
(residue number reindexed from 1)		I10 G11 G13 F14 S15 E35 A36 G42 T43 W44 N46 V54 D55 C56 Y61 R106 V107 A137 V138 R319 F372 Y418 N428 G429
Annotation score2
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Feb 20 06:33:26 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 = '5j7x', asym_id = 'A', bs = 'BS01', title = 'Structural and Catalytic Characterization of a Fungal Baeyer-Villiger Monooxygenase.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5j7x', asym_id='A', bs='BS01', title='Structural and Catalytic Characterization of a Fungal Baeyer-Villiger Monooxygenase.')
   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 = '0004499,0050660,0050661', uniprot = '', pdbid = '5j7x', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004499,0050660,0050661', uniprot='', pdbid='5j7x', 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>