Structure of PDB 7bvi Chain D Binding Site BS01

Receptor Information
>7bvi Chain D (length=432) Species: 4543 (Cenchrus americanus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKHFKYVILGGGVAAGYAAREFAKQGVKPGELAIISKEAVAPYERPALSK
GYLFPQNAARLPGFHVCVGSGGERQLPEWYSEKGIELILSTEIVKADLST
KTLTSAAGATFTYEILIIATGSSVIKLTDFGTQGADSNNILYLREIDDAD
KLVAAIQAKKGGKAVVVGGGYIGLELSAALKINDFDVTMVFPEPWCMPRL
FTADIAAFYEAYYTNKGVKVLKGTLAVGFDANANGDVTAVKLKDGKVLEA
DIVVVGVGGRPLTTLFKGQVAEEKGGIKTDAFFETSVPGVYAIGDVATFP
LKMYNELRRVEHVDHSRKSAEQAVKAIKGKESGESVPEYDYLPYFYSRSF
DLGWQFYGDNVGETILFGDSDPTSSKPKFGSYWIKDGKVFGAFLEGGSPD
ENNAIAKVAKTQPPVASIEELKKEGLQFASKI
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 chain7bvi Chain D Residue 501 [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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PDB7bvi Biochemical and structural characterization of a robust and thermostable ascorbate recycling monodehydroascorbate reductase (MDHAR) from stress adapted pearl millet.
Resolution2.391 Å
Binding residue
(original residue number in PDB)		G13 G14 G15 V16 A17 S39 K40 E41 R48 P49 K53 I96 A122 T123 G124 R147 E148 Y174 I175 D298 V316 S319 F348 Y349
Binding residue
(residue number reindexed from 1)		G10 G11 G12 V13 A14 S36 K37 E38 R45 P46 K50 I93 A119 T120 G121 R144 E145 Y171 I172 D295 V313 S316 F345 Y346
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 23 03:38:13 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 = '7bvi', asym_id = 'D', bs = 'BS01', title = 'Biochemical and structural characterization of a...uctase (MDHAR) from stress adapted pearl millet. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7bvi', asym_id='D', bs='BS01', title='Biochemical and structural characterization of a...uctase (MDHAR) from stress adapted pearl millet. ')
   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 = '0016491', uniprot = '', pdbid = '7bvi', asym_id = 'D'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491', uniprot='', pdbid='7bvi', asym_id='D')
    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>