Structure of PDB 6xuu Chain A Binding Site BS01

Receptor Information
>6xuu Chain A (length=589) Species: 5643 (Trametes cinnabarina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGITSDPTVVNGQTYDYIVVGGGLTGTTVAARLAENSSLQILMIEAGGDD
RTNPQIYDIYEYGAVFNGPLDWAWEADQGKVIHGGKTLGGSSSINGAAWT
RGLNAQYDSWSSLLEPEEASVGWNWNNLFGYMKKAEAFSAPNDQQRAKGA
DSIASYHGTTGPVQATFPDEMYGGPQMPAFVNTVVNVTGMPHYKDLNGGT
PNCVSITPLSINWHDDDHRSSSIEAYYTPVENNRQGWTLLIDHMATKVLF
DGTNAPLTAVGIEFGASDATGNRYKAFARKEVILAAGAIQTPALLQLSGI
GDSDVLGPLGISTLSDLKTVGKNLQEQTQNAIGAKGNGFDPDGHGPTDAI
AFPNIYQVFGSQATSAVQTIQSSLSAWAKTQAAAGALSADALNTIYQTQA
DLIINHNAPVVELFFDSGFPDDVGIVMWPLLPFSRGNVTITSNNPFAKPS
VNVNYFSVDFDLTMHIAGARLSRKLLGSPPLSSLLVGETVPGFKTVPNNG
NGGTDADWKKWILKPGNSAGFASVAHPIGTAAMMKRSLGGVVDAQLKVYD
TTNLRVVDASMMPLQISAHLSSTLYGVAEKAADLIKAAQ
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 chain6xuu Chain A Residue 601 [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]
PDB6xuu Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose.
Resolution1.57 Å
Binding residue
(original residue number in PDB)		G23 G25 L26 T27 E47 A48 F68 W74 H85 G87 G92 S93 N97 G98 A99 A100 M246 A247 A288 Q292 A527 A561 H571 L572 S573 L576
Binding residue
(residue number reindexed from 1)		G21 G23 L24 T25 E45 A46 F66 W72 H83 G85 G90 S91 N95 G96 A97 A98 M244 A245 A286 Q290 A525 A559 H569 L570 S571 L574
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0050660 flavin adenine dinucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:6xuu, PDBe:6xuu, PDBj:6xuu
PDBsum6xuu
PubMed34294139
UniProtA0A060SC37

[Back to BioLiP]