Structure of PDB 4a2u Chain A Binding Site BS01

Receptor Information
>4a2u Chain A (length=224) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDEILARAGIFQGVEPSAIAALTKQLQPVDFPRGHTVFAEGEPGDRLYII
ISGKVKIGRRAPDGRENLLTIMGPSDMFGELSIFDPGPRTSSATTITEVR
AVSMDRDALRSWIADRPEISEQLLRVLARRLRRTNNNLADLIFTDVPGRV
AKQLLQLAQRFGTQEGGALRVTHDLTQEEIAQLVGASRETVNKALADFAH
RGWIRLEGKSVLISDSERLARRAR
Ligand information
Ligand IDCMP
InChIInChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyIVOMOUWHDPKRLL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N
ACDLabs 10.04O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O
FormulaC10 H12 N5 O6 P
NameADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE;
CYCLIC AMP;
CAMP
ChEMBLCHEMBL316966
DrugBankDB02527
ZINCZINC000003873977
PDB chain4a2u Chain A Residue 280 [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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PDB4a2u A New Crystal Form of Crp from M. Tuberculosis and Conformational Effects of Crystal Packing
Resolution2.63 Å
Binding residue
(original residue number in PDB)		F38 I57 L69 F78 G79 E80 L81 S82 R89 T90 S91 R130 T134
Binding residue
(residue number reindexed from 1)		F38 I57 L69 F78 G79 E80 L81 S82 R89 T90 S91 R130 T134
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Dec 18 15:58:05 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 = '4a2u', asym_id = 'A', bs = 'BS01', title = 'A New Crystal Form of Crp from M. Tuberculosis and Conformational Effects of Crystal Packing'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4a2u', asym_id='A', bs='BS01', title='A New Crystal Form of Crp from M. Tuberculosis and Conformational Effects of Crystal Packing')
   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 = '0003677,0006355', uniprot = '', pdbid = '4a2u', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003677,0006355', uniprot='', pdbid='4a2u', asym_id='A')
    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>