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BioLiP

Structure of PDB 7ehe Chain B Binding Site BS01

Receptor Information
>7ehe Chain B (length=581) Species: 5544 (Trichoderma harzianum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDESFIGKSGGEIFHEMMLRQGVKHIFGYPGGAILPVFDAIYNSKHFDFI
LPRHEQGAGHMAEGYARASGKPGVVVVTSGPGATNVITPMQDALSDGTPM
VVFCGQVPTAAIADVVGISRACTKWNVMVKSVAELPRRINEAFEIATSGR
PGPVLVDLPKDVTAGILRRAIPELSTQQLNASIKRAADLINMGKKPVIYA
GQGVIQSEGGPELLKELADKASIPVTTTLHGLGAFDELDEKSLHMLGMHG
AAYANMAMQQADVIIALGSRFDDRVTGVVSKFAPAARQAAAEGRGGIIHF
EIMPKNINKVVQATEAVEGDVGANMKLLIPQVKAKTMEDRKEWFDAIKGW
KKKYPLSHYQRTGLIKPQTVMEEISNLTADRKDKTYIATGVGQHQMWVAQ
HFRWRHPRSMITSGGLGTMGYGLPAAIGAKVAQPDALVIDVDGDASFNMT
LTELSTAAQFNIGVKVVVLNNEEQGMVTQWQNLFYEDRYSHTHQRNPDFM
KLADAMGIQHQRVAEPDKLVDALKWLINTDGPALLEVVTDKKVPVLPMVP
AGSALHEFLVFDPEKDKQRRELMKERTKGVH
Ligand information
Ligand IDTZD
InChIInChI=1S/C12H18N4O8P2S/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)27-12(17)16(7)6-9-5-14-8(2)15-11(9)13/h5H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)
InChIKeyZGJUYGIRPQSCFA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1SC(=C(N1Cc2c(nc(nc2)C)N)C)CCOP(=O)(O)OP(=O)(O)O
CACTVS 3.341Cc1ncc(CN2C(=C(CCO[P](O)(=O)O[P](O)(O)=O)SC2=O)C)c(N)n1
OpenEye OEToolkits 1.5.0Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C
CACTVS 3.341Cc1ncc(CN2C(=C(CCO[P@](O)(=O)O[P](O)(O)=O)SC2=O)C)c(N)n1
OpenEye OEToolkits 1.5.0Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCOP(=O)(O)OP(=O)(O)O)C
FormulaC12 H18 N4 O8 P2 S
Name2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE;
THIAMIN THIAZOLONE DIPHOSPHATE
ChEMBLCHEMBL403021
DrugBank
ZINCZINC000013540298
PDB chain7ehe Chain A Residue 703 [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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PDB7ehe Harzianic Acid from Trichoderma afroharzianum Is a Natural Product Inhibitor of Acetohydroxyacid Synthase.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		P110 E135 P161
Binding residue
(residue number reindexed from 1)		P30 E55 P81
Annotation score1
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu May 15 17:17:45 2025

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>()
   1701     title=pdb2title(pdbid)
   1702     if bs.startswith("BS"):
=> 1703         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)
   1704     else:
   1705         if lig3:
pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '7ehe', asym_id = 'B', bs = 'BS01', title = 'Harzianic Acid from Trichoderma afroharzianum Is...l Product Inhibitor of Acetohydroxyacid Synthase.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7ehe', asym_id='B', bs='BS01', title='Harzianic Acid from Trichoderma afroharzianum Is...l Product Inhibitor of Acetohydroxyacid Synthase.')
   1326         display_ec(ec,csaOrig,csaRenu)
   1327     if go:
=> 1328         display_go(go,uniprot,pdbid,asym_id)
   1329     return pubmed,uniprot
   1330 
global display_go = <function display_go>, go = '0000287,0003824,0003984,0009082,0030976,0050660', uniprot = '', pdbid = '7ehe', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000287,0003824,0003984,0009082,0030976,0050660', uniprot='', pdbid='7ehe', asym_id='B')
    484         '''.replace("$namespace_link",namespace_link
    485           ).replace("$namespace",namespace
=>  486           ).replace("$uniprot",u
    487         ))
    488         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>