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Receptor Information

>3jqp Chain C (length=265) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NFINLYTVKNPLKCKIVDKINLVRPNSPNEVYHLEINHNGLFKYLEGHTC
GIIPYYNEQRCARLYSISSSNNMENLSVAIKIHKYETNYGYCSGFIKNLK
INDDIYLTGAHGYFNLPNDAIQKNTNFIFIATGTGISPYISFLKKLFAYD
KNNLYNRNSNYTGYITIYYGVYNEDSILYLNELEYFQKMYPNNINIHYVF
SYKDATSFYVQDEIYKRKTEFLNLFNNYKCELYICGLKSIRYKVMDILKS
HDDEKKKKRVHVEVY

Ligand ID

FAD

InChI

InChI=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

InChIKey

VWWQXMAJTJZDQX-UYBVJOGSSA-N

SMILES

Software	SMILES
CACTVS 3.341	Cc1cc2N=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 1.5.0	Cc1cc2c(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 1.5.0	Cc1cc2c(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 3.341	Cc1cc2N=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 10.04	O=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

Formula

C27 H33 N9 O15 P2

Name

FLAVIN-ADENINE DINUCLEOTIDE

PDB chain

3jqp Chain C Residue 415 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3jqp Plasmodium falciparum ferredoxin-NADP+ reductase His286 plays a dual role in NADP(H) binding and catalysis
Resolution	3.0 Å
Binding residue (original residue number in PDB)	R101 L102 Y103 S104 A117 K119 H121 Y123 G136 Y137 C138 S139 T180 E314 Y316
Binding residue (residue number reindexed from 1)	R63 L64 Y65 S66 A79 K81 H83 Y85 G90 Y91 C92 S93 T134 E263 Y265
Annotation score	2

Catalytic site (original residue number in PDB)	Y103 S104 C284 E314 Y316
Catalytic site (residue number reindexed from 1)	Y65 S66 C235 E263 Y265
Enzyme Commision number	1.18.1.2: ferredoxin--NADP(+) reductase.

	Molecular Function
GO:0016491	oxidoreductase activity

PDB	RCSB:3jqp, PDBe:3jqp, PDBj:3jqp
PDBsum	3jqp
PubMed	19736991
UniProt	C6KT68\|FENR_PLAF7 Ferredoxin--NADP reductase, apicoplast (Gene Name=FNR)

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Structure of PDB 3jqp Chain C Binding Site BS01