Structure of PDB 7buz Chain B Binding Site BS01

Receptor Information
>7buz Chain B (length=433) Species: 4543 (Cenchrus americanus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEKHFKYVILGGGVAAGYAAREFAKQGVKPGELAIISKEAVAPYERPALS
KGYLFPQNAARLPGFHVCVGSGGERQLPEWYSEKGIELILSTEIVKADLS
TKTLTSAAGATFTYEILIIATGSSVIKLTDFGTQGADSNNILYLREIDDA
DKLVAAIQAKKGGKAVVVGGGYIGLELSAALKINDFDVTMVFPEPWCMPR
LFTADIAAFYEAYYTNKGVKVLKGTLAVGFDANANGDVTAVKLKDGKVLE
ADIVVVGVGGRPLTTLFKGQVAEEKGGIKTDAFFETSVPGVYAIGDVATF
PLKMYNELRRVEHVDHSRKSAEQAVKAIKGKESGESVPEYDYLPYFYSRS
FDLGWQFYGDNVGETILFGDSDPTSSKPKFGSYWIKDGKVFGAFLEGGSP
DENNAIAKVAKTQPPVASIEELKKEGLQFASKI
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 chain7buz Chain B 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]
PDB7buz Crystal structure of Pennisetum glaucum monodehydroascorbate reductase
Resolution2.288 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 L265 G297 D298 H315 V316 S319 F348 Y349
Binding residue
(residue number reindexed from 1)		G11 G12 G13 V14 A15 S37 K38 E39 R46 P47 K51 I94 A120 T121 G122 R145 E146 Y172 I173 L263 G295 D296 H313 V314 S317 F346 Y347
Annotation score4
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 23 03:36:23 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 = '7buz', asym_id = 'B', bs = 'BS01', title = 'Crystal structure of Pennisetum glaucum monodehydroascorbate reductase'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7buz', asym_id='B', bs='BS01', title='Crystal structure of Pennisetum glaucum monodehydroascorbate reductase')
   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 = '7buz', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491', uniprot='', pdbid='7buz', 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>