Structure of PDB 7egv Chain A Binding Site BS03

Receptor Information
>7egv Chain A (length=590) Species: 5544 (Trichoderma harzianum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DESFIGKSGGEIFHEMMLRQGVKHIFGYPGGAILPVFDAIYNSKHFDFIL
PRHEQGAGHMAEGYARASGKPGVVVVTSGPGATNVITPMQDALSDGTPMV
VFCGQVPTAAIGSDAFQEADVVGISRACTKWNVMVKSVAELPRRINEAFE
IATSGRPGPVLVDLPKDVTAGILRRAIAAKELSTQQLNASIKRAADLINM
GKKPVIYAGQGVIQSEGGPELLKELADKASIPVTTTLHGLGAFDELDEKS
LHMLGMHGAAYANMAMQQADVIIALGSRFDDRVTGVVSKFAPAARQAAAE
GRGGIIHFEIMPKNINKVVQATEAVEGDVGANMKLLIPQVKAKTMEDRKE
WFDAIKGWKKKYPLSHYQRRTGLIKPQTVMEEISNLTADRKDKTYIATGV
GQHQMWVAQHFRWRHPRSMITSGGLGTMGYGLPAAIGAKVAQPDALVIDV
DGDASFNMTLTELSTAAQFNIGVKVVVLNNEEQGMVTQWQNLFYEDRYSH
THQRNPDFMKLADAMGIQHQRVAEPDKLVDALKWLINTDGPALLEVVTDK
KVPVLPMVPAGSALHEFLVFDPEKDKQRRELMKERTKGVH
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 chain7egv 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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PDB7egv Harzianic Acid from Trichoderma afroharzianum Is a Natural Product Inhibitor of Acetohydroxyacid Synthase.
Resolution2.54 Å
Binding residue
(original residue number in PDB)		R237 G305 Q306 G307 T332 L333 H334 G372 S373 R374 D376 R378 V379 E405 I406 D424 V425 M503 G521 G522
Binding residue
(residue number reindexed from 1)		R156 G209 Q210 G211 T236 L237 H238 G276 S277 R278 D280 R282 V283 E309 I310 D328 V329 M405 G423 G424
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 23 03:52:53 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 = '7egv', asym_id = 'A', 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='7egv', asym_id='A', 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 = '7egv', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000287,0003824,0003984,0009082,0030976,0050660', uniprot='', pdbid='7egv', asym_id='A')
    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>