Structure of PDB 6a6t Chain A Binding Site BS01

Receptor Information
>6a6t Chain A (length=430) Species: 162425 (Aspergillus nidulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RANTKIIVVGGGGTMGSSTALHLLRAGYTPSNITVLDTYPIPSAQSAGYD
LNKIFGIGLRNKPDLQLYLEALDMWKNDPLFKPFFHNVGQMDVSSTEEGI
KKLRMRYQSLLDAGIGLEKTNFLLESEDEILAKAPHFTREQIKGWKGLFC
GDGGWLAAAKAINAIGQFLKEQGVKFGFGEAGTFKKPLFADADEKTCIGV
ETVDGTKYYADKVVLAAGAWSSTLVDLEEQCVSKAWVFAHIQLTPAEAAA
YKNTPVIYDGDYGFFIEPDENGIIKVCDEFPGFTHFKMHQPYGSPVPKLI
SVPRSHAKHPTDTYPHASEVTIKKAINRFLPRFNDKELFNRAMCWCTDTA
DANLLVCEHPRWKGFYLATGDSGHSFKLLPNIGKHVVELLEGRLESVFKD
AWRWRPGSGDALKSRRAAPAKDLADMPGWR
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 chain6a6t 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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PDB6a6t Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Resolution1.901 Å
Binding residue
(original residue number in PDB)		G13 G16 T17 M18 L39 D40 S46 Q48 S49 A50 K56 I57 G185 T186 F187 A220 G221 W223 L227 C347 C349 D374 G376 S378 F379 K380
Binding residue
(residue number reindexed from 1)		G10 G13 T14 M15 L36 D37 S43 Q45 S46 A47 K53 I54 G182 T183 F184 A217 G218 W220 L224 C344 C346 D371 G373 S375 F376 K377
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Nov 26 15:04:53 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 = '6a6t', asym_id = 'A', bs = 'BS01', title = 'Creation of haemoglobin A1c direct oxidase from ...ite specific mutagenesis and random mutagenesis. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6a6t', asym_id='A', bs='BS01', title='Creation of haemoglobin A1c direct oxidase from ...ite specific mutagenesis and random mutagenesis. ')
   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 = '0016491,0050660', uniprot = '', pdbid = '6a6t', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491,0050660', uniprot='', pdbid='6a6t', 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>