Structure of PDB 8qnb Chain A Binding Site BS01

Receptor Information
>8qnb Chain A (length=478) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HTITNWSGTHAVRPKRFFQPESVEELEKIVKEAHEKGQKIRPVGSGLSPN
GLAFSEDGMVSLALMDKVLHVDKEKKQVTVQAGARVQQVVDALRPHGLTL
QNFASISEQQIGGFIQVGAHGTGARIPPVDEQVVSMKLVTPAKGTIELSE
EKDPELFRLARCGLGALGVVTEVTLQCVPRHKLLEHTFVATMKEVKKNHE
KLLRENKHVRYMWIPYTDTVVVVTCNPLPEGKKAPQYSEDEKLQPLRNLL
RESETSPEVSGLSFTELRDALLAVDPLDTEWVKRVNQAEAEFWKRSEGYR
VGWSDEILGFDCGGQQWVSEVAFPAGTLEKPSAADLEYMEELMRLINKEG
IPAPAPIEQRWTAGSSSPMSPAYSPSPDSVFSWVGIIMYLPTEDEEQRKA
ITEAFRQYRKLCETRLWDKYGAAEHWAKIEVPEDPEELEALRERLRKRYP
GVDKFNKARRELDPKNILSNDMIDSLFP
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 chain8qnb 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8qnb Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: in complex with L-galactono-1,4-lactone
Resolution2.1 Å
Binding residue
(original residue number in PDB)		W15 R50 P51 V52 G53 S54 G55 L56 S57 L61 A62 A113 S114 I115 Q118 Q119 G122 Q125 V126 A128 H129 L173 V178 V179 R388 H453 A455
Binding residue
(residue number reindexed from 1)		W6 R41 P42 V43 G44 S45 G46 L47 S48 L52 A53 A104 S105 I106 Q109 Q110 G113 Q116 V117 A119 H120 L164 V169 V170 R360 H425 A427
Annotation score1
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 21:58:05 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 = '8qnb', asym_id = 'A', bs = 'BS01', title = 'Crystal structure of ancestral L-galactono-1,4-l...rogenase: in complex with L-galactono-1,4-lactone'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8qnb', asym_id='A', bs='BS01', title='Crystal structure of ancestral L-galactono-1,4-l...rogenase: in complex with L-galactono-1,4-lactone')
   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 = '0003885,0016020,0016633,0016899,0050660,0071949', uniprot = '', pdbid = '8qnb', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003885,0016020,0016633,0016899,0050660,0071949', uniprot='', pdbid='8qnb', 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>