Structure of PDB 1efv Chain A Binding Site BS01

Receptor Information
>1efv Chain A (length=312) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSTLVIAEHANDSLAPITLNTITAATRLGGEVSCLVAGTKCDKVAQDLCK
VAGIAKVLVAQHDVYKGLLPEELTPLILATQKQFNYTHICAGASAFGKNL
LPRVAAKLEVAPISDIIAIKSPDTFVRTIYAGNALCTVKCDEKVKVFSVR
GTSFDAAATSGGSASSEKASSTSPVEISEWLDQKLTKSDRPELTGAKVVV
SGGRGLKSGENFKLLYDLADQLHAAVGASRAAVDAGFVPNDMQVGQTGKI
VAPELYIAVGISGAIQHLAGMKDSKTIVAINKDPEAPIFQVADYGIVADL
FKVVPEMTEILK
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 chain1efv Chain A Residue 599 [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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PDB1efv Three-dimensional structure of human electron transfer flavoprotein to 2.1-A resolution.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G222 R223 S248 R249 A250 Q262 V263 G264 T266 G279 I280 S281 Q285 H286 N300 K301 D318 L319 F320
Binding residue
(residue number reindexed from 1)		G203 R204 S229 R230 A231 Q243 V244 G245 T247 G260 I261 S262 Q266 H267 N281 K282 D299 L300 F301
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0009063 amino acid catabolic process
GO:0022904 respiratory electron transport chain
GO:0033539 fatty acid beta-oxidation using acyl-CoA dehydrogenase
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0045251 electron transfer flavoprotein complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1efv, PDBe:1efv, PDBj:1efv
PDBsum1efv
PubMed8962055
UniProtP13804|ETFA_HUMAN Electron transfer flavoprotein subunit alpha, mitochondrial (Gene Name=ETFA)

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