Structure of PDB 7s41 Chain A Binding Site BS01

Receptor Information

>7s41 Chain A (length=145) Species: 35818 (Helicobacter pullorum)

GHMIHKLADVQSKNIGSGTRIWQFCVVLPSAIIGENCNICSHCFIENDVK
IGNNVTIKCGVQIWDGIEIEDDVFIGPNVTFCNDKYPRSKQYPKEFSKTI
IKKGASIGANATILPGITIGENAMIGAGAIVTKDVLPHVTYYSKI

Ligand information

• Ligand ID: 87N
• InChI: InChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)13(19-9(3)22)14(24)8(2)33-17/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14-,15-,17-/m1/s1
• InChIKey: CWQDRZJUANNJKC-NMSPNFBVSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O
  CACTVS 3.385: C[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@H](O)[C@@H](NC(C)=O)[C@@H]1O
  OpenEye OEToolkits 2.0.7: CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O
  CACTVS 3.385: C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](NC(C)=O)[CH]1O
  ACDLabs 12.01: CC1=CN(C(=O)NC1=O)C1CC(O)C(O1)COP(=O)(O)OP(=O)(O)OC1OC(C)C(O)C(NC(C)=O)C1O
• Formula: C18 H29 N3 O15 P2
• Name: [(2~{R},3~{R},4~{S},5~{S},6~{R})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
• PDB chain: 7s41 Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7s41 Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): F42 E44 W62 N81 D82 Y90
• Binding residue (residue number reindexed from 1): F44 E46 W64 N83 D84 Y92
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Fri Nov 15 14:58:08 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 = '7s41', asym_id = 'A', bs = 'BS01', title = 'Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7s41', asym_id='A', bs='BS01', title='Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.')

   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 = '0016740', uniprot = '', pdbid = '7s41', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016740', uniprot='', pdbid='7s41', 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>