Structure of PDB 7ehe Chain B Binding Site BS03

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 IDFAD
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain7ehe Chain B Residue 702 [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)		R237 G305 Q306 G307 Q310 S311 T332 L333 H334 L350 M352 H353 G372 S373 R374 D376 R378 V379 E405 I406 D424 V425 M503 G521
Binding residue
(residue number reindexed from 1)		R150 G201 Q202 G203 Q206 S207 T228 L229 H230 L246 M248 H249 G268 S269 R270 D272 R274 V275 E301 I302 D320 V321 M396 G414
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 23 03:20:38 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 = '7ehe', asym_id = 'B', bs = 'BS03', 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='BS03', title='Harzianic Acid from Trichoderma afroharzianum Is...l Product Inhibitor of Acetohydroxyacid Synthase.')
   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 = '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')
    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>