Structure of PDB 5npu Chain C Binding Site BS02

Receptor Information
>5npu Chain C (length=547) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYTVGHYLATRLAQIGLKHHFAVAGDYNLVLLDQLLKNKDLEQVYCCNEL
NCGFSAEGYARANGVGAAVVTFSVGALSAFNAIGGAYAENLPVILISGAP
NTNDHGSGHILHHTIGTTDYGYQLEMAKQITCAAVSITHAEDAPALIDHA
IRTALREKKPAYIEIACNVAAQPCARPGPVSALLNEPTSDEETLKAAVEA
ALDFIEKREKPVLLVGGKLRAAGAEEAVVELADALGCAVATMAAAKSFFP
EDHPGYVGTYWGEVSSPGVEEIVDWADGIICLGPVFNDYSTVGWTAWPKG
ENVVLVDPHHITVGGEEFTGIHLKDFLTALTERVPKKDATLPAADPNAPL
TRAELCRQIQGLLNPNTTLIAETGDSWFNAMRMKLPHGARVELEMQWGHI
GWSVPATFGYAVAEPERRNVLMVGDGSFQLTAQEVAQMVRRKLPIIIFLI
NNRGYTIEVKIHDGPYNNIKNWDYAGLMEVFNAEDGKGLGLKATTGGELA
EAIKKALAHREGPTLIECVIDRDDCTPELVTWGKKVATANARPPQAI
Ligand information
Ligand IDTPP
InChIInChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
InChIKeyAYEKOFBPNLCAJY-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(C[n+]2csc(CCO[P@@](O)(=O)O[P](O)(O)=O)c2C)c(N)n1
OpenEye OEToolkits 1.5.0Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)O
CACTVS 3.341Cc1ncc(C[n+]2csc(CCO[P](O)(=O)O[P](O)(O)=O)c2C)c(N)n1
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N
FormulaC12 H19 N4 O7 P2 S
NameTHIAMINE DIPHOSPHATE
ChEMBLCHEMBL1236376
DrugBank
ZINCZINC000008215517
PDB chain5npu Chain C 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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PDB5npu Crystal structure of an inferred ancestral bacterial pyruvate decarboxylase.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		G390 D391 G414 H415 I416 G440 G442 S443 N468 G470 Y471 T472 I473 E474
Binding residue
(residue number reindexed from 1)		G374 D375 G398 H399 I400 G424 G426 S427 N452 G454 Y455 T456 I457 E458
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Feb 22 00:21:29 2025

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 = '5npu', asym_id = 'C', bs = 'BS02', title = 'Crystal structure of an inferred ancestral bacterial pyruvate decarboxylase.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5npu', asym_id='C', bs='BS02', title='Crystal structure of an inferred ancestral bacterial pyruvate decarboxylase.')
   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 = '0000287,0003824,0016831,0030976', uniprot = '', pdbid = '5npu', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000287,0003824,0016831,0030976', uniprot='', pdbid='5npu', asym_id='C')
    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>