Structure of PDB 8d5g Chain B Binding Site BS01

Receptor Information
>8d5g Chain B (length=272) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAKVKIVGILNVTPNSFHDGGRFVETDKAVVRARELLSQGADIIEIGGES
TGPGSNTITADEELARIVPVIRAIRSSLPDANIAVDTYKAEVARKALELG
ATMINDVSAGRADPKLFGVVARSNAQIVLMYSKDTDPHTSFDERQYVDVV
RTVYDFLAERKKAAMSAGIPADRIILDTGLGHFVSSDPQYSFQLLAHLSD
FQDLGCKLFLSPSRKSFLAGNELLKTADRLPGTIAASAIAVLHGADYIRT
HDVLEVRRGCEIATAINQPPER
Ligand information
Ligand IDHH2
InChIInChI=1S/C7H9N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1H,2H2,(H,17,18)(H2,14,15,16)(H3,8,9,11,12,13)
InChIKeyAMDUVUKDRBIVAH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCc1nc2C(=O)NC(=Nc2nc1)N
CACTVS 3.341NC1=Nc2ncc(CO[P](O)(=O)O[P](O)(O)=O)nc2C(=O)N1
CACTVS 3.341NC1=Nc2ncc(CO[P@@](O)(=O)O[P](O)(O)=O)nc2C(=O)N1
OpenEye OEToolkits 1.5.0c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0c1c(nc2c(n1)N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O
FormulaC7 H9 N5 O8 P2
Name6-HYDROXYMETHYLPTERIN-DIPHOSPHATE;
[PTERIN-6-YL METHANYL]-PHOSPHONOPHOSPHATE
ChEMBL
DrugBankDB04047
ZINCZINC000012504112
PDB chain8d5g 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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PDB8d5g Crystal structure of dihydropteroate synthase (folP-SMZ_B27) from soil uncultured bacterium in complex with 6-hydroxymethyl-7,8-dihydropterin pyrophosphate
Resolution2.78 Å
Binding residue
(original residue number in PDB)		N11 N105 M130 D177 F183 F209 S211 S213 K215 R249 H251
Binding residue
(residue number reindexed from 1)		N11 N105 M130 D177 F183 F209 S211 S213 K215 R249 H251
Annotation score2
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 09:53:43 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 = '8d5g', asym_id = 'B', bs = 'BS01', title = 'Crystal structure of dihydropteroate synthase (f... 6-hydroxymethyl-7,8-dihydropterin pyrophosphate '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8d5g', asym_id='B', bs='BS01', title='Crystal structure of dihydropteroate synthase (f... 6-hydroxymethyl-7,8-dihydropterin pyrophosphate ')
   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 = '8d5g', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004156,0009396,0042558,0044237', uniprot='', pdbid='8d5g', 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>