Structure of PDB 5ow0 Chain A Binding Site BS01

Receptor Information
>5ow0 Chain A (length=292) Species: 269799 (Geobacter metallireducens GS-15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTLIIETANAKILGELVTVSRLFGQAPDVVVLGSGELQGSYGKAYRLSD
TLGANLGSSLSDLIKRERYELILLSTTAIGSGLAGPLAVSLGAPILSEVT
AISPDLTIERSLYGSKAVARYKLESGPLVLTIKRKYFEAATLEGTTATEE
LPVGPQKITLLEEIEEERTGIPLEDAEVVVTGGRGIGSGDNFSILKEIAG
MLNGAVGASRGAVDEGWMPPGAQIGQTGKIVAPTVYFAVGVSGASQHLAG
ISNAKCVIAINKDNEANIFKRARFGIVGDYKKAVPALINALK
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 chain5ow0 Chain A Residue 301 [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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PDB5ow0 Structural and functional characterization of an electron transfer flavoprotein involved in toluene degradation in strictly anaerobic bacteria.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G183 R184 G185 S209 R210 Q223 I224 G225 T227 G240 V241 S242 A244 Q246 H247 N261 K262 D279 Y280
Binding residue
(residue number reindexed from 1)		G183 R184 G185 S209 R210 Q223 I224 G225 T227 G240 V241 S242 A244 Q246 H247 N261 K262 D279 Y280
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0009055 electron transfer activity
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0033539 fatty acid beta-oxidation using acyl-CoA dehydrogenase

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5ow0, PDBe:5ow0, PDBj:5ow0
PDBsum5ow0
PubMed31405915
UniProtQ39VG4

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