Structure of PDB 8qnr Chain A Binding Site BS02

Receptor Information
>8qnr Chain A (length=474) 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
KLLRENKHVRYMWIPYTDTVVVVTCNPLPEKAPQYSEDEKLQPLRNLLRE
ASPEVSGLSFTELRDALLAVDPLDTEWVKRVNQAEAEFWKRSEGYRVGWS
DEILGFDCGGQQWVSEVAFPAGTLEKPSAADLEYMEELMRLINKEGIPAP
APIEQRWTAGSSSPMSPAYSPSPDSVFSWVNIIMYLPTEDEEQRKAITEA
FRQYRKLCETRLWDKYGAAEHWAKIEVPEDPEELEALRERLRKRYPGVDK
FNKARRELDPKNILSNDMIDSLFP
Ligand information
Ligand IDX8L
InChIInChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1
InChIKeySXZYCXMUPBBULW-SKNVOMKLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C([C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O)O
CACTVS 3.385OC[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
CACTVS 3.385OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(C(C1C(C(C(=O)O1)O)O)O)O
FormulaC6 H10 O6
NameL-gulono-1,4-lactone;
(3S,4R,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one;
L-gulonolactone
ChEMBL
DrugBank
ZINC
PDB chain8qnr Chain A Residue 602 [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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PDB8qnr Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: G413N variant in complex with L-gulono-1,4-lactone
Resolution2.3 Å
Binding residue
(original residue number in PDB)
F338 C340 Q344 E386 R388 N413 K456
Binding residue
(residue number reindexed from 1)
F306 C308 Q312 E354 R356 N381 K424
Annotation score5
Gene Ontology
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UnboundLocalError
Python 3.6.8: /usr/bin/python3
Fri Nov 29 01:26:24 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 = '8qnr', asym_id = 'A', bs = 'BS02', title = 'Crystal structure of ancestral L-galactono-1,4-l...413N variant in complex with L-gulono-1,4-lactone'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8qnr', asym_id='A', bs='BS02', title='Crystal structure of ancestral L-galactono-1,4-l...413N variant in complex with L-gulono-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 = '8qnr', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003885,0016020,0016633,0016899,0050660,0071949', uniprot='', pdbid='8qnr', 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>