Structure of PDB 8d5i Chain B Binding Site BS02

Receptor Information
>8d5i Chain B (length=270) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAKVKIVGILNVTPNSFHDGGRFVETDKAVVRARELLSQGADIIEIGGES
TGPGSNTITADEELARIVPVIRAIRSSLPDANIAVDTYKAEVARKALELG
ATMINDVSAGRADPKLFGVVARSNAQIVLMYSKDTDPHTSFDERQYVDVV
RTVYDFLAERKKAAMSAGIPADRIILDTGLGGFVSSDPQYSFQLLAHLSD
FQDLGCKLFLSPSRKSFLAGNELLKTADRLPGTIAASAIAVLHGADYIRT
HDVLEVRRGCEIATAINQPP
Ligand information
Ligand IDPT1
InChIInChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
InChIKeyJOAQINSXLLMRCV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1nc(O)c2nc(CNc3ccc(cc3)C(O)=O)cnc2n1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O
ACDLabs 10.04O=C(O)c1ccc(cc1)NCc2nc3c(nc2)nc(nc3O)N
FormulaC14 H12 N6 O3
NamePTEROIC ACID
ChEMBLCHEMBL341824
DrugBankDB04196
ZINCZINC000006628789
PDB chain8d5i Chain B Residue 302 [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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PDB8d5i Crystal structure of dihydropteroate synthase H182G mutant (folP-SMZ_B27) from soil uncultured bacterium in complex with pteroic acid
Resolution1.82 Å
Binding residue
(original residue number in PDB)		T51 G52 D86 N105 V107 M130 F141 D177 G181 G182 F183 F209 S211 K215 S216 R249
Binding residue
(residue number reindexed from 1)		T51 G52 D86 N105 V107 M130 F141 D177 G181 G182 F183 F209 S211 K215 S216 R249
Annotation score2
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Nov 25 12:06:24 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 = '8d5i', asym_id = 'B', bs = 'BS02', title = 'Crystal structure of dihydropteroate synthase H1...ncultured bacterium in complex with pteroic acid '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8d5i', asym_id='B', bs='BS02', title='Crystal structure of dihydropteroate synthase H1...ncultured bacterium in complex with pteroic acid ')
   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 = '0004156,0009396,0042558,0044237', uniprot = '', pdbid = '8d5i', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004156,0009396,0042558,0044237', uniprot='', pdbid='8d5i', 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>