Structure of PDB 7tjs Chain D Binding Site BS01

Receptor Information
>7tjs Chain D (length=466) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITGKVTAVIGAIVDVHFEQSELPAILNALEIKTPQGKLVLEVAQHLGENT
VRTIAMDGTEGLVRGEKVLDTGGPISVPVGRETLGRIINVIGEPIDERGP
IKSKLRKPIHADPPSFAEQSTSAEILETGIKVVDLLAPYARGGKIGLFGG
AGVGKTVFIQELINNIAKAHGGFSVFTGVGERTREGNDLYREMKETGVIN
LEGESKVALVFGQMNEPPGARARVALTGLTIAEYFRDEEGQDVLLFIDNI
FRFTQAGSEVSALLGRIPSAVGYQPTLATDMGLLQERITTTKKGSVTSVQ
AVYVPADDLTDPAPATTFAHLDATTVLSRGISELGIYPAVDPLDSKSRLL
DAAVVGQEHYDVASKVQETLQTYKSLQDIIAILGMDELSEQDKLTVERAR
KIQRFLSQPFAVAEVFTGIPGKLVRLKDTVASFKAVLEGKYDNIPEHAFY
MVGGIEDVVAKAEKLA
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7tjs Chain D Residue 600 [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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PDB7tjs Structure of ATP synthase under strain during catalysis.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		G160 G162 K163 T164 V165 Y345 A421 F424
Binding residue
(residue number reindexed from 1)		G152 G154 K155 T156 V157 Y337 A413 F416
Annotation score5
Enzymatic activity
Enzyme Commision number 7.1.2.2: H(+)-transporting two-sector ATPase.
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 07:55:54 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 = '7tjs', asym_id = 'D', bs = 'BS01', title = 'Structure of ATP synthase under strain during catalysis.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7tjs', asym_id='D', bs='BS01', title='Structure of ATP synthase under strain during catalysis.')
   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 = '0005524,0015986,0016887,0045261,0046034,0046933,1902600', uniprot = '', pdbid = '7tjs', asym_id = 'D'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005524,0015986,0016887,0045261,0046034,0046933,1902600', uniprot='', pdbid='7tjs', asym_id='D')
    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>