Structure of PDB 4ly3 Chain B Binding Site BS01

Receptor Information
>4ly3 Chain B (length=271) Species: 407148 (Campylobacter jejuni subsp. jejuni 81116) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHMIKICIAGKNNIAVNSLQFILKNYFEADQIVVIPNKNDKGIDSWQKSL
LKFALDNNIKIVTLDEIYNIEQIIFFSLEFDQIIKIENFKSDRLFNIHFS
ALPKYKGVFTSITPILNNELESGVTLHRIDNGIDTGNIIDQHCFPIDIND
TARDLYFNYLKYGESIFKKNIQTIINNSYKDLKQTNINSSYFSRKDINLV
HKINFKKTSFEIHNQIRAFIFQEYQLPIINNSKIIKSILANEFIGYNVFE
EFENYFIISGIDGFKIIAQKL
Ligand information
Ligand ID1YJ
InChIInChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12+/m1/s1
InChIKeyMSTNYGQPCMXVAQ-NEPJUHHUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N
CACTVS 3.385NC1=NC2=C(N[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)CN2)C(=O)N1
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2)C(=O)NC(=N3)N
CACTVS 3.385NC1=NC2=C(N[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1
ACDLabs 12.01O=C(O)C(NC(=O)c1ccc(cc1)NCC3NC2=C(N=C(N)NC2=O)NC3)CCC(=O)O
FormulaC19 H23 N7 O6
NameN-[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
ChEMBLCHEMBL2074655
DrugBank
ZINCZINC000004228235
PDB chain4ly3 Chain B 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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PDB4ly3 Structure of a sugar N-formyltransferase from Campylobacter jejuni.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D79 Q80 I81 I82 I127 D128 G130 D132 S191 R192
Binding residue
(residue number reindexed from 1)		D81 Q82 I83 I84 I129 D130 G132 D134 S193 R194
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Nov 25 12:48:41 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 = '4ly3', asym_id = 'B', bs = 'BS01', title = 'Structure of a sugar N-formyltransferase from Campylobacter jejuni.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4ly3', asym_id='B', bs='BS01', title='Structure of a sugar N-formyltransferase from Campylobacter jejuni.')
   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 = '0009058', uniprot = '', pdbid = '4ly3', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009058', uniprot='', pdbid='4ly3', 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>