Structure of PDB 8orh Chain B Binding Site BS01

Receptor Information
>8orh Chain B (length=649) Species: 2813486 (Mimivirus reunion) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLTGDIVIIGAGAAGSLLAHYLARFSNMKIILLEAGHSHFNDPVVTDPMG
FFGKYNPPNENISMSQNPSYSWQGAQEPNTGAYGNRPIIAHGMGFGGSTM
INRLNLVVGGRTVFDNDWPVGWKYDDVKNYFRRVLVDINPVRDNTKASIT
SVALDALRIIAEQQIASGEPVDFLLNKATGNVPNVEKTTPDAVPLNLNDY
EGVNSVVAFSSFYMGVNQLSDGNYIRKYAGNTYLNRNYVDENGRGIGKFS
GLRVVSDAVVDRIIFKGNRAVGVNYIDREGIMHYVKVNKEVVVTSGAFYT
PTILQRSGIGDFTYLSSIGVKNLVYNNPLVGTGLKNHYSPVTITRVHGEP
SEVSRFLSNMAANPTNMGFKGLAELGFHRLDPNKPANANTVTYRKYQLMM
TAGVGIPAEQQYLSGLSPSSNNLFTLIADDIRFAPEGYIKIGTPNIPRDV
PKIFFNTFVTYTPTSAPADQQWPIAQKTLAPLISALLGYDIIYQTLISMN
QTARDSGFQVSLEMVYPLNDLIYKLHNGLATYGANWWHYFVPTLVGDDTP
AGREFADTLSKLSYYPRVGAHLDSHQGCSCSIGRTVDSNLKVIGTQNVRV
ADLSAAAFPPGGNTWATASMIGARAVDLILGFPYLRDLPVNDVPILNVN
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 chain8orh Chain B Residue 901 [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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PDB8orh Functional redundancy revealed by the deletion of the mimivirus GMC-oxidoreductase genes
Resolution4.2 Å
Binding residue
(original residue number in PDB)		G63 G65 A66 E87 A88 G145 G150 S151 N155 R156 N158 V313 S348 S627 L656 N666 T667 W668
Binding residue
(residue number reindexed from 1)		G10 G12 A13 E34 A35 G92 G97 S98 N102 R103 N105 V260 S295 S574 L603 N613 T614 W615
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
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:8orh, PDBe:8orh, PDBj:8orh
PDBsum8orh
PubMed38659623
UniProtA0A8A5IZP6

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