Structure of PDB 3k4z Chain A Binding Site BS05

Receptor Information
>3k4z Chain A (length=275) Species: 492476 (Acetivibrio thermocellus JW20) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLEDNSSTLPPYKNDLLYERTFDEGLCYPWHTCEDSGGKCSFDVVDVPGQ
PGNKAFAVTVLDKGQNRWSVQMRHRGLTLEQGHTYRVRLKIWADASCKVY
IKIGQMGEPYAEYWNNKWSPYTLTAGKVLEIDETFVMDKPTDDTCEFTFH
LGGELAATPPYTVYLDDVSLYDPEYTKPVEYILPQPDVRVNQVGYLPEGK
KVATVVCNSTQPVKWQLKNAAGVVVLEGYTEPKGLDYVHWLDFSDFATEG
IGYYFELPTVNSPTNYSHPFDIRKD
Ligand information
Ligand IDXGP
InChIInChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
InChIKeyHXXFSFRBOHSIMQ-DVKNGEFBSA-N
SMILES
SoftwareSMILES
CACTVS 3.352OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
ACDLabs 11.02O=P(O)(OC1OC(C(O)C(O)C1O)CO)O
OpenEye OEToolkits 1.7.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O
OpenEye OEToolkits 1.7.0C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
CACTVS 3.352OC[C@H]1O[C@@H](O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
FormulaC6 H13 O9 P
Name1-O-phosphono-beta-D-glucopyranose;
1-O-phosphono-beta-D-glucose;
1-O-phosphono-D-glucose;
1-O-phosphono-glucose
ChEMBLCHEMBL67622
DrugBank
ZINCZINC000003953999
PDB chain3k4z Chain A Residue 295 [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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PDB3k4z The unique binding mode of cellulosomal CBM4 from Clostridium thermocellum cellobiohydrolase A.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		W68 K102 Y110 H150
Binding residue
(residue number reindexed from 1)		W68 K102 Y110 H150
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Dec 18 16:20:10 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 = '3k4z', asym_id = 'A', bs = 'BS05', title = 'The unique binding mode of cellulosomal CBM4 from Clostridium thermocellum cellobiohydrolase A.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3k4z', asym_id='A', bs='BS05', title='The unique binding mode of cellulosomal CBM4 from Clostridium thermocellum cellobiohydrolase A.')
   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 = '0005975,0008810,0016798', uniprot = '', pdbid = '3k4z', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005975,0008810,0016798', uniprot='', pdbid='3k4z', 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>