Structure of PDB 3r5h Chain B Binding Site BS01

Receptor Information
>3r5h Chain B (length=377) Species: 592021 (Bacillus anthracis str. A0248) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTRIILPGKTIGIIGGGQLGRMMALAAKEMGYKIAVLDPTKNSPCAQVAD
IEIVASYDDLKAIQHLAEISDVVTYEFENIDYRCLQWLEKHAYLPQGSQL
LSKTQNRFTEKNAIEKAGLPVATYRLVQNQEQLTEAIAELSYPSVLKTTT
GGYDGKGQVVLRSEADVDEARKLANAAECILEKWVPFEKEVSVIVIRSVS
GETKVFPVAENIHVNNILHESIVPARITEELSQKAIAYAKVLADELELVG
TLAVEMFATADGEIYINELAPRPHNSGHYTQDACETSQFGQHIRAICNLP
LGETNLLKPVVMVNILGEHIEGVLRQVNRLTGCYLHLYGKEEAKAQRKMG
HVNILNDNIEVALEKAKSLHIWDHQEQ
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 chain3r5h Chain B Residue 400 [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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PDB3r5h Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R107 K147 Q158 W184 V185 F187 E190 N216 F257 N267 E268
Binding residue
(residue number reindexed from 1)		R107 K147 Q158 W184 V185 F187 E190 N216 F257 N267 E268
Annotation score2
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 03:35:14 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 = '3r5h', asym_id = 'B', bs = 'BS01', title = 'Elucidation of the bicarbonate binding site and ...cleotide synthase (PurK) from Bacillus anthracis '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3r5h', asym_id='B', bs='BS01', title='Elucidation of the bicarbonate binding site and ...cleotide synthase (PurK) from Bacillus anthracis ')
   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 = '0004638,0005524,0006189,0046872', uniprot = '', pdbid = '3r5h', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004638,0005524,0006189,0046872', uniprot='', pdbid='3r5h', 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>