Structure of PDB 8gja Chain B Binding Site BS02

Receptor Information
>8gja Chain B (length=335) Species: 6376 (Alvinella pompejana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLNPRIIYSIKKAHLHDYGTILSLSAADIQRMTRLSASDVHQLQKTVAER
IRRTPHTTAFHLHRRSGPAELNRDHLTTGCQQLDSFLRGGILTRTLTEIA
GESASGKTQLCMQLCLTVQLPEQMGGLGGGAVYICTEDVFPNKRLVQMIS
QLKQRAHDVKVKDICFTDNIFIEHAAELDDLHYCVSKKVPVLLAQRHVKL
IIIDSIAALFRCEHDSQSLQERARLMQLIASKLLQLANQFNVPAICVNQV
SDVVEQHRKVIPTLGISWANHVTVRLMLMRTNYKLPVQQKNIEGDVIGSL
DVQIRTMEVLFAPHLPNSLCRFIVDQDGVKGLPAK
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 chain8gja Chain B Residue 1000 [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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PDB8gja RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Resolution2.6 Å
Binding residue
(original residue number in PDB)
A108 S109 G110 K111 T112 Q113 R148 R315 V334 D335
Binding residue
(residue number reindexed from 1)
A104 S105 G106 K107 T108 Q109 R144 R305 V324 D325
Annotation score4
Gene Ontology
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UnboundLocalError
Python 3.6.8: /usr/bin/python3
Sun Nov 24 10:46:37 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 = '8gja', asym_id = 'B', bs = 'BS02', title = 'RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8gja', asym_id='B', bs='BS02', title='RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.')
   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 = '0003677,0005524,0006281,0140664', uniprot = '', pdbid = '8gja', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003677,0005524,0006281,0140664', uniprot='', pdbid='8gja', asym_id='B')
    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>