Structure of PDB 5j63 Chain D Binding Site BS02

Receptor Information
>5j63 Chain D (length=301) Species: 656414 (Escherichia coli H736) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTVVFAYHDMGCLGIEALLAAGYEISAIFTHTDNPGEKAFYGSVARLAA
ERGIPVYAPDNVNHPLWVERIAQLSPDVIFSFYYRHLIYDEILQLAPAGA
FNLHGSLLPKYRGRAPLNWVLVNGETETGVTLHRMVKRADAGAIVAQLRI
AIAPDDIAITLHHKLCHAARQLLEQTLPAIKHGNILEIAQRENEATCFGR
RTPDDSFLEWHKPASVLHNMVRAVADPWPGAFSYVGNQKFTVWSSRVHPQ
PGSVISVAPLLIACGDGALEIVTGQAGDGITMQGSQLAQTLGLVQGSRLN
S
Ligand information
Ligand IDFNX
InChIInChI=1S/C15H16N6O2/c1-9-2-4-10(5-3-9)17-6-11-7-18-13-12(21(11)8-22)14(23)20-15(16)19-13/h2-6,8,11-12H,7H2,1H3,(H3,16,18,19,20,23)/b17-6+/t11-,12+/m1/s1
InChIKeyUDYJDSNAUDQZNM-RMTXVELISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1ccc(cc1)N=C[C@@H]2CNC3=NC(=NC(=O)C3N2C=O)N
CACTVS 3.385Cc1ccc(cc1)N=C[CH]2CNC3=NC(=NC(=O)[CH]3N2C=O)N
OpenEye OEToolkits 2.0.4Cc1ccc(cc1)N=CC2CNC3=NC(=NC(=O)C3N2C=O)N
ACDLabs 12.01O=CN1C3C(NCC1[C@H]=Nc2ccc(cc2)C)=NC(=NC3=O)N
CACTVS 3.385Cc1ccc(cc1)N=C[C@@H]2CNC3=NC(=NC(=O)[C@H]3N2C=O)N
FormulaC15 H16 N6 O2
Name(4aS,6S)-2-amino-6-{(E)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4aH)-carbaldehyde
ChEMBL
DrugBank
ZINC
PDB chain5j63 Chain D Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5j63 Structure of the Escherichia coli ArnA N-formyltransferase domain in complex with N(5) -formyltetrahydrofolate and UDP-Ara4N.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y84 H86 I88 N102 M135 V136 A139 D140
Binding residue
(residue number reindexed from 1)		Y84 H86 I88 N102 M135 V136 A139 D140
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 12:02:19 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 = '5j63', asym_id = 'D', bs = 'BS02', title = 'Structure of the Escherichia coli ArnA N-formylt... with N(5) -formyltetrahydrofolate and UDP-Ara4N.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5j63', asym_id='D', bs='BS02', title='Structure of the Escherichia coli ArnA N-formylt... with N(5) -formyltetrahydrofolate and UDP-Ara4N.')
   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 = '0003824,0009058', uniprot = '', pdbid = '5j63', asym_id = 'D'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003824,0009058', uniprot='', pdbid='5j63', 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>