Structure of PDB 6edk Chain A Binding Site BS01

Receptor Information
>6edk Chain A (length=193) Species: 1212546 (Anoxybacillus ayderensis G10) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGAMGKILLLGPERKWLRDFLESFEDEVTQYQDKLDKKSAILNNVDFIIS
YGYRYIIHPDIVERFKQRAINLHISYLPWNKGADPNLWSFLEDSPKGVTI
HYIDSGLDTGEIIVQREVTYYENDTLRTTYERLTQTIEKLFMEYWPLIRL
GKIRGIPQPKGGSYHKLKDKEKYLYLLTDGWDTPVQKLIGKAQ
Ligand information
Ligand ID1YA
InChIInChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,23H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t11-,13-/m0/s1
InChIKeyAUFGTPPARQZWDO-AAEUAGOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N)C=O
CACTVS 3.385NC1=NC2=C(N[CH](CN2)CN(C=O)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)C(=O)N1
CACTVS 3.385NC1=NC2=C(N[C@@H](CN2)CN(C=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(=O)N1
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N(CC2CNC3=C(N2)C(=O)NC(=N3)N)C=O
ACDLabs 12.01O=C(O)C(NC(=O)c1ccc(cc1)N(C=O)CC3NC2=C(N=C(N)NC2=O)NC3)CCC(=O)O
FormulaC20 H23 N7 O7
NameN-{4-[{[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-L-glutamic acid
ChEMBL
DrugBank
ZINC
PDB chain6edk Chain A Residue 303 [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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PDB6edk Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y74 R75 Y76 I77 I78 N92 I124 D125 G127 L128 D129 Y185 K187 L188
Binding residue
(residue number reindexed from 1)		Y53 R54 Y55 I56 I57 N71 I103 D104 G106 L107 D108 Y164 K166 L167
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 17:28:20 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 = '6edk', asym_id = 'A', bs = 'BS01', title = 'Structural Insight into a Novel Formyltransferas...Nonribosomal Peptide Synthetase Tailoring Domain.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6edk', asym_id='A', bs='BS01', title='Structural Insight into a Novel Formyltransferas...Nonribosomal Peptide Synthetase Tailoring Domain.')
   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 = '6edk', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009058', uniprot='', pdbid='6edk', 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>