BioLiP

Receptor Information

>1p0f Chain A (length=372) Species: 8403 (Pelophylax perezi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

CTAGKDITCKAAVAWEPHKPLSLETITVAPPKAHEVRIKILASGICGSDS
SVLKEIIPSKFPVILGHEAVGVVESIGAGVTCVKPGDKVIPLFVPQCGSC
RACKSSNSNFCEKNDMGAKTGLMADMTSRFTCRGKPIYNLMGTSTFTEYT
VVADIAVAKIDPKAPLESCLIGCGFATGYGAAVNTAKVTPGSTCAVFGLG
GVGFSAIVGCKAAGASRIIGVGTHKDKFPKAIELGATECLNPKDYDKPIY
EVICEKTNGGVDYAVECAGRIETMMNALQSTYCGSGVTVVLGLASPNERL
PLDPLLLLTGRSLKGSVFGGFKGEEVSRLVDDYMKKKINVNFLVSTKLTL
DQINKAFELLSSGQGVRSIMIY

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

1p0f Chain A Residue 4292 [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	1p0f Crystal structure of the vertebrate NADP(H)-dependent alcohol dehydrogenase (ADH8)
Resolution	1.8 Å
Binding residue (original residue number in PDB)	C1046 G1047 S1048 C1173 T1177 G1198 L1199 G1200 G1201 V1202 G1222 T1223 H1224 K1227 C1267 A1268 R1270 L1291 G1292 L1293 V1317 R1367
Binding residue (residue number reindexed from 1)	C46 G47 S48 C173 T177 G198 L199 G200 G201 V202 G222 T223 H224 K227 C267 A268 R270 L291 G292 L293 V317 R367
Annotation score	4

Enzyme Commision number

1.1.1.2: alcohol dehydrogenase (NADP(+)).

	Molecular Function
GO:0004745	all-trans-retinol dehydrogenase (NAD+) activity
GO:0008106	alcohol dehydrogenase (NADP+) activity
GO:0008270	zinc ion binding
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding

	Biological Process
GO:0042572	retinol metabolic process
GO:0042573	retinoic acid metabolic process

	Cellular Component
GO:0005829	cytosol

PDB	RCSB:1p0f, PDBe:1p0f, PDBj:1p0f
PDBsum	1p0f
PubMed	12818203
UniProt	O57380\|ADH8_PELPE NADP-dependent alcohol dehydrogenase (Gene Name=ADH8)

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Structure of PDB 1p0f Chain A Binding Site BS03