Structure of PDB 7yj0 Chain B Binding Site BS01

Receptor Information
>7yj0 Chain B (length=621) Species: 1826779 (Boreostereum vibrans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFEGYVEPELFERPGTSLPNKLGVMPQLTWPNVLNGTNCEKPAVPNYKPP
SKVDVIIIGAGPVGLTTAACLLRQGITVRILDRSPHPLPVGRADGLQPRS
MEVFDLLGLGEEVYHVGIRVEHTTVYKDGKQHIFAESHQAPGNEAHYTGL
HACTQTEVEHLLIRDLIRHDILVERPCTATSYTFDEEASVTHPITVNITN
EATGAEEVVTARFLVGSDGAHSMIRKSLPIEFPGVKTDLHWGIVDAVINS
DFPHRWTFGTVLNSEYGGCLIIPRERNMVRLYVQLRAEPGKAFDHSKWGP
EEILVILNKVFAPYTLSYAEPVDWYTILTINERVATSFTYKDRIFLAGDS
CHVHSAKGAFGMNTGVMDAHNLAWKLAMLCRGIAKPSLLASYDVERRENA
LRAVATSARYLRFVGNCEDKDVFYFKKFVGQVGRFLIGLDVDYAENALNK
LSPAVSRARAGYRASNPRVALSRSHSGRLYHSFGHLGQFTLLVFASNMGG
ALNAKLHALDSYLAGPSSFYHAYGGADTFKIVVVVRATPSQADQRVKTFP
FLSKAGHTVYDDQLPLSHFGGDAHALYGVSHEEGAIVVVRPDSWIGTSST
ISDARSLESYFDGFLFKSTEG
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 chain7yj0 Chain B Residue 701 [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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PDB7yj0 A flavin-monooxygenase catalyzing oxepinone formation and the complete biosynthesis of vibralactone
Resolution2.43 Å
Binding residue
(original residue number in PDB)		I63 G64 G66 P67 V68 D87 R88 R97 A98 Q160 T183 D225 G226 L335 G355 D356 A363 A366 G368 M369
Binding residue
(residue number reindexed from 1)		I58 G59 G61 P62 V63 D82 R83 R92 A93 Q155 T178 D218 G219 L328 G348 D349 A356 A359 G361 M362
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Nov 26 20:59:59 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 = '7yj0', asym_id = 'B', bs = 'BS01', title = 'A flavin-monooxygenase catalyzing oxepinone formation and the complete biosynthesis of vibralactone'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7yj0', asym_id='B', bs='BS01', title='A flavin-monooxygenase catalyzing oxepinone formation and the complete biosynthesis of vibralactone')
   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 = '0016491,0071949', uniprot = '', pdbid = '7yj0', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491,0071949', uniprot='', pdbid='7yj0', 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>