Structure of PDB 6krt Chain A Binding Site BS01

Receptor Information
>6krt Chain A (length=433) Species: 159298 (Deschampsia antarctica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEKHFKYVVLGGGVAGGYAAREFAKQGVQPGELAIISREAVAPYERPALS
KAYLFPQNPARLPGFHVCVGSGGERLLPEWYSEKGIELILNTEIVKADLA
SKTLTSAAGATFTYEILLIATGSSVIKLSDFGTQGADSNNILYLREVDDA
DKLYAAIQAKKGGKAVVVGGGYIGLELSAVLKMNNLDVTMVFPEPWCMPR
LFTAEIAAFYESYYTNKGVKIVKGTVAVGFDADANGDVTAVKLKDGSVLE
ADIVVVGVGGRPLTTLFKGQVAEEKGGIKTDASFETSVPGVYAVGDVATF
PMKIYNDVRRVEHVDHSRKSAEQAVKAIKGKESGEAVPEYDYLPYFYSRS
FDLSWQFYGDNVGEAVLFGDSDPASAKPKFGSYWIKDGKVVGAFLEGGSG
DENGLIAKVARAQPPVSSIEELKQDGLLFASKI
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 chain6krt 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

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PDB6krt monodehydroascorbate reductase, MDHAR, from Antarctic hairgrass Deschampsia antarctica
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G13 G14 G15 V16 A17 R40 E41 R48 P49 I96 A122 T123 G124 R147 E148 Y174 I175 G297 D298 V316 S319 F348 Y349
Binding residue
(residue number reindexed from 1)		G11 G12 G13 V14 A15 R38 E39 R46 P47 I94 A120 T121 G122 R145 E146 Y172 I173 G295 D296 V314 S317 F346 Y347
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Dec 4 07:52:10 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 = '6krt', asym_id = 'A', bs = 'BS01', title = 'monodehydroascorbate reductase, MDHAR, from Antarctic hairgrass Deschampsia antarctica'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6krt', asym_id='A', bs='BS01', title='monodehydroascorbate reductase, MDHAR, from Antarctic hairgrass Deschampsia antarctica')
   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 = '6krt', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491', uniprot='', pdbid='6krt', 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>