Structure of PDB 6tdu Chain BD Binding Site BS01

Receptor Information
>6tdu Chain BD (length=487) Species: 3039 (Euglena gracilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVKQVGYVQQIIGAVVDVTFTDSVPPVLTALTVDAKETGTLLTMEIVQHL
DTKTARCICMSSTDMLRLRTPVVNTGSQITVPVGEATLGRIFNVMGDAID
QRGPVKNKVRWPIHRKAPTLAEQSGKDEVLVTGIKVIDLILPYCKGGKIG
LFGGAGVGKTVIIMELINNVAKGHGGYSVFAGVGERTREGTDLYLEMMGS
KVIDLQGDSKCVLVYGQMNEPPGARARVAQTALTMAEYFRDEAGQDVLLF
VDNVFRFTQANSEVSALLGRIPAAVGYQPTLAEDLGMLQERITSTVKGSI
TSVQAVYVPADDITDPAPATTFSHLDATTVLSRSVAEAGIYPAVEPLECA
SRIMDPDAIDVNHYNVAMDIVEMLTKYKELQDIIAVLGIDELSEEDKLIV
DRARKVAKFMSQPFAVAEVFTGMKGYYVQLEDCVSDFGSLLMGQCDNIPE
MAFYMVGGLDSVKEKAAKMAAEAAAMRERARKAAEAK
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 chain6tdu Chain BD Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tdu Structure of a mitochondrial ATP synthase with bound native cardiolipin.
Resolution4.32 Å
Binding residue
(original residue number in PDB)
G170 V171 G172 K173 T174 V175 Y355 F434 T435
Binding residue
(residue number reindexed from 1)
G156 V157 G158 K159 T160 V161 Y341 F420 T421
Annotation score5
Gene Ontology
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UnboundLocalError
Python 3.6.8: /usr/bin/python3
Thu Nov 28 00:14:05 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 = '6tdu', asym_id = 'BD', bs = 'BS01', title = 'Structure of a mitochondrial ATP synthase with bound native cardiolipin.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6tdu', asym_id='BD', bs='BS01', title='Structure of a mitochondrial ATP synthase with bound native cardiolipin.')
   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 = '6tdu', asym_id = 'BD'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005524,0015986,0016887,0045261,0046034,0046933,1902600', uniprot='', pdbid='6tdu', asym_id='BD')
    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>