Structure of PDB 8blz Chain C Binding Site BS01

Receptor Information
>8blz Chain C (length=424) Species: 321614 (Parastagonospora nodorum SN15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSRANTKVIVVGGGGTIGSSTALHLVRSGYTPSNVTVLDAYPIPSSQSAG
NDLNKIMDADADPAADAARQMWNEDELFKKFFHNTGRLDCAHGEKDIADL
KKRYQNLRDWGLGATVEWLDSEDEILKRMPQLTRDQIKGWKAIFSKDGGW
LAAAKAIKAIGEYLRDQGVRFGFYGAGSFKQPLLAEGVCIGVETVDGTRY
YADKVVLAAGAWSPTLVELQEQCVSKAWVYGHIQLTPEEAARYKNSPVVY
NGDVGFFFEPNEHGIIKVCDEFPGFTRFKMHQPFGAKAPKRISVPRSHAK
HPTDTIPDASIVRIRRAIATFMPQFKNKPLFNQAMCWCTDTADGHLLICE
HPEWKNFYLATGDSGDSFKLLPIIGKYVVELLEGTLADELAHKWRWRPGS
GDALKSRREAPAKDLADMPGWNHD
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 chain8blz Chain C 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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PDB8blz Fructosyl Peptide Oxidase mutant (D02)
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G14 G17 T18 I19 D41 A42 S47 Q49 S50 A51 K57 I58 G179 S180 F181 A211 G212 W214 L218 C338 C340 D365 G367 S369 F370 K371
Binding residue
(residue number reindexed from 1)		G12 G15 T16 I17 D39 A40 S45 Q47 S48 A49 K55 I56 G177 S178 F179 A209 G210 W212 L216 C336 C338 D363 G365 S367 F368 K369
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008115 sarcosine oxidase activity
GO:0016491 oxidoreductase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0051698 saccharopine oxidase activity

View graph for
Molecular Function
External links
PDB RCSB:8blz, PDBe:8blz, PDBj:8blz
PDBsum8blz
PubMed37903872
UniProtQ0UIL6

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