Structure of PDB 5ayi Chain A Binding Site BS01

Receptor Information
>5ayi Chain A (length=441) Species: 408169 (metagenomes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERFPADFVWGAATAAYQIEGAVREDGRGVSIWDTFSHTPGKIADGTTGDV
ACDSYHRYGEDIGLLNALGMNAYRFSIAWPRIVPLGAGPINQAGLDHYSR
MVDALLGAGLQPFVTLYHWDLPQPLEDRLGWGSRATATVFAEYADIVVRQ
LGDRVTHWATLNEPWCSAMLGYYLGVHAPGHTDLKRGLEASHNLLLGHGL
AVQAMRAAAPQPLQIGIVLQLTPTYPASDSPEDVAAARRFDGFVNRWFLD
PLAGRGYPQDMLDYYGAAAPQANPEDLTQIAAPLDWLGVNYYERMRAVDA
PDASLPQAQRLDDPDLPHTADREVYPEGLYDILLRLHNDYPFRPLYITEN
GCALHDEIAEDGGIHDGQRQAFFEAHLAQLQRALAAGVPLKGYFAWSLLD
NFEWAMGLSMRYGICYTNFETLERRIKDSGYWLRDFIAGQR
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain5ayi Chain A Residue 503 [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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PDB5ayi Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2
Resolution1.85 Å
Binding residue
(original residue number in PDB)		Q20 H121 E166 Y295 R325 E352 W399 E406 W407 Y415
Binding residue
(residue number reindexed from 1)		Q17 H118 E163 Y292 R322 E349 W396 E403 W404 Y412
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 10:02:03 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 = '5ayi', asym_id = 'A', bs = 'BS01', title = 'Crystal structure and identification of a key am...n activity of metagenomic beta-glucosidase Td2F2 '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5ayi', asym_id='A', bs='BS01', title='Crystal structure and identification of a key am...n activity of metagenomic beta-glucosidase Td2F2 ')
   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 = '0004553,0005975,0008422,0030245', uniprot = '', pdbid = '5ayi', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004553,0005975,0008422,0030245', uniprot='', pdbid='5ayi', 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>