Structure of PDB 7bq6 Chain A Binding Site BS01

Receptor Information
>7bq6 Chain A (length=433) Species: 4543 (Cenchrus americanus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASEKHFKYVILGGGVAAGYAAREFAKQGVKPGELAIISKEAVAPYERPAL
SKGYLFPQNAARLPGFHVCVGSGGERQLPEWYSEKGIELILSTEIVKADL
STKTLTSAAGATFTYEILIIATGSSVIKLTDFGTQGADSNNILYLREIDD
ADKLVAAIQAKKGGKAVVVGGGYIGLELSAALKINDFDVTMVFPEPWCMP
RLFTADIAAFYEAYYTNKGVKVLKGTLAVGFDANANGDVTAVKLKDGKVL
EADIVVVGVGGRPLTTLFKGQVAEEKGGIKTDAFFETSVPGVYAIGDVAT
FPLKMYNELRRVEHVDHSRKSAEQAVKAIKGKESGESVPEYDYLPYFYSR
SFDLGWQFYGDNVGETILFGDSDPTSSKPKFGSYWIKDGKVFGAFLEGGS
PDENNAIAKVAKTQPPVASIEELKKEGLQFASK
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 chain7bq6 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7bq6 Biochemical and structural characterization of a robust and thermostable ascorbate recycling monodehydroascorbate reductase (MDHAR) from stress adapted pearl millet.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		G13 G14 G15 V16 A17 K40 E41 R48 P49 K53 I96 A122 T123 G124 R147 E148 Y174 I175 L265 D298 H315 V316 S319 F348 Y349
Binding residue
(residue number reindexed from 1)		G12 G13 G14 V15 A16 K39 E40 R47 P48 K52 I95 A121 T122 G123 R146 E147 Y173 I174 L264 D297 H314 V315 S318 F347 Y348
Annotation score4
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 09:40:07 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 = '7bq6', asym_id = 'A', 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='7bq6', asym_id='A', 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 = '7bq6', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491', uniprot='', pdbid='7bq6', 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>