Structure of PDB 7w2j Chain A Binding Site BS01

Receptor Information
>7w2j Chain A (length=537) Species: 376620 (Gluconobacter japonicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSADVVIIGAGICGSLLAHKLVRNGLSVLLLDAGPRRDRSQIVENWRNMP
PDNKSQYDYATPYPSVPWAPHTNYFPDNNYLIVKGPDRTAYKQGIIKGVG
GTTWHWAASSWRYLPNDFKLHSTYGVGRDYAMSYDELEPYYYEAECEMGV
MGPNGEEITPSAPRQNPWPMTSMPYGYGDRTFTEIVSKLGFSNTPVPQAR
NSRPYDGRPQCCGNNNCMPICPIGAMYNGVYAAIKAEKLGAKIIPNAVVY
AMETDAKNRITAISFYDPDKQSHRVVAKTFVIAANGIETPKLLLLAANDR
NPHGIANSSDLVGRNMMDHPGIGMSFQSAEPIWAGGGSVQMSSITNFRDG
DFRSEYAATQIGYNNTAQNSRAGMKALSMGLVGKKLDEEIRRRTAHGVDI
YANHEVLPDPNNRLVLSKDYKDALGIPHPEVTYDVGEYVRKSAAISRQRL
MDIAKAMGGTEIEMTPYFTPNNHITGGTIMGHDPRDSVVDKWLRTHDHSN
LFLATGATMAASGTVNSTLTMAALSLRAADAILNDLK
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 chain7w2j 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

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PDB7w2j Structural and Bioelectrochemical Elucidation of Direct Electron Transfer-type Membrane-bound Fructose Dehydrogenase
Resolution3.6 Å
Binding residue
(original residue number in PDB)		G14 G16 D37 A38 Y64 K102 G106 T107 T108 H110 W111 S114 V254 A289 N290 E293 K296 L297 N477 N521 S522 T523
Binding residue
(residue number reindexed from 1)		G9 G11 D32 A33 Y59 K97 G101 T102 T103 H105 W106 S109 V249 A284 N285 E288 K291 L292 N472 N516 S517 T518
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.5.14: fructose 5-dehydrogenase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0047904 fructose 5-dehydrogenase activity
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0006000 fructose metabolic process
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7w2j, PDBe:7w2j, PDBj:7w2j
PDBsum7w2j
PubMed
UniProtM1VMF7|FDHL_GLUJA Fructose dehydrogenase large subunit (Gene Name=fdhL)

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