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Receptor Information

>1jay Chain B (length=212) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MRVALLGGTGNLGKGLALRLATLGHEIVVGSRREEKAEAKAAEYRRIAGD
ASITGMKNEDAAEACDIAVLTIPWEHAIDTARDLKNILREKIVVSPLVPV
SRGAKGFTYSSERSAAEIVAEVLESEKVVSALHTIPAARFANLDEKFDWD
VPVCGDDDESKKVVMSLISEIDGLRPLDAGPLSNSRLVESLTPLILNIMR
FNGMGELGIKFL

Ligand ID

NAP

InChI

InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

InChIKey

XJLXINKUBYWONI-NNYOXOHSSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
CACTVS 3.341	NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
CACTVS 3.341	NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0	c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N

Formula

C21 H28 N7 O17 P3

Name

NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;
2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE

PDB chain

1jay Chain B Residue 213 [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	1jay Structures of F420H2:NADP+ oxidoreductase with and without its substrates bound.
Resolution	1.65 Å
Binding residue (original residue number in PDB)	G7 T9 G10 N11 L12 S31 R32 K36 T71 I72 P73 H76 P96 L97 V98 H133 I135 A137
Binding residue (residue number reindexed from 1)	G7 T9 G10 N11 L12 S31 R32 K36 T71 I72 P73 H76 P96 L97 V98 H133 I135 A137
Annotation score	4

Enzyme Commision number

1.5.1.40: 8-hydroxy-5-deazaflavin:NADPH oxidoreductase.

	Molecular Function
GO:0000166	nucleotide binding
GO:0008823	cupric reductase (NADH) activity
GO:0016491	oxidoreductase activity
GO:0016651	oxidoreductase activity, acting on NAD(P)H
GO:0050661	NADP binding
GO:0052851	ferric-chelate reductase (NADPH) activity
GO:0070967	coenzyme F420 binding
GO:0102261	8-hydroxy-5-deazaflavin:NADPH oxidoreductase activity

	Biological Process
GO:0006740	NADPH regeneration
GO:0015677	copper ion import

	Cellular Component
GO:0005886	plasma membrane

PDB	RCSB:1jay, PDBe:1jay, PDBj:1jay
PDBsum	1jay
PubMed	11726492
UniProt	O29370\|FNO_ARCFU F420-dependent NADP reductase (Gene Name=fno)

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Structure of PDB 1jay Chain B Binding Site BS01