Structure of PDB 4kgm Chain D Binding Site BS01

Receptor Information
>4kgm Chain D (length=224) Species: 339854 (Bacillus thuringiensis serovar israelensis ATCC 35646) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIGDRMKRYENAYRIKLPERMPVIVRIDGAHFHTYTKGCAKPFDQDLAEA
FWETCKYLAQNIMGAKLVYHQSDEISILITNYDKLTTQSWFENNLQKIAS
VSASMATAKFNEVMREKYPDKPLATFDGRAQVLPQDEVANYFIWRQQDAS
KNSISMVAQANFPNGKDMQDKLNWNDLPVWQKRGICIIKEFYEKNGALRS
RWSVDHETPIISKDREYVEQFVYL
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain4kgm Chain D Residue 301 [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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PDB4kgm Structural Studies of a Bacterial tRNA(HIS) Guanylyltransferase (Thg1)-Like Protein, with Nucleotide in the Activation and Nucleotidyl Transfer Sites.
Resolution2.361 Å
Binding residue
(original residue number in PDB)		D30 G31 H33 F34 H35 D46 L49 S74 D75
Binding residue
(residue number reindexed from 1)		D28 G29 H31 F32 H33 D44 L47 S72 D73
Annotation score5
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Dec 18 19:29:44 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 = '4kgm', asym_id = 'D', bs = 'BS01', title = 'Structural Studies of a Bacterial tRNA(HIS) Guan...n the Activation and Nucleotidyl Transfer Sites. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4kgm', asym_id='D', bs='BS01', title='Structural Studies of a Bacterial tRNA(HIS) Guan...n the Activation and Nucleotidyl Transfer Sites. ')
   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 = '0000287,0006400,0008193', uniprot = '', pdbid = '4kgm', asym_id = 'D'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000287,0006400,0008193', uniprot='', pdbid='4kgm', 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>