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Receptor Information

>3zbr Chain A (length=215) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EKDFLPLYFGWFLTKKSSETLRKAGQVFLEELGNHKAFKKELRHFISGDE
KLELVSYFGKRPPGVLSCTTKFCDYGKAAGAEEYAQQEVVKRSYGKAFKL
SISALFVTPKTAGAQVVLTDQELQLWPSDLDKPSASEGLPPGSRAHVTLG
CAADVQPVQTGLDLLDILQQVKGGSQGEAVGELPRGKLYSLGKGRWMLSL
TKKMEVKAIFTGYYG

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

3zbr Chain A Residue 1379 [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	3zbr Crystallographic Analysis of the Reaction Cycle of 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase, a Unique Member of the 2H Phosphoesterase Family
Resolution	2.304 Å
Binding residue (original residue number in PDB)	L167 Y168 T232 F235 H309 T311 P320 V321 Y376
Binding residue (residue number reindexed from 1)	L7 Y8 T69 F72 H146 T148 P157 V158 Y213
Annotation score	1

Enzyme Commision number

3.1.4.37: 2',3'-cyclic-nucleotide 3'-phosphodiesterase.

	Molecular Function
GO:0004113	2',3'-cyclic-nucleotide 3'-phosphodiesterase activity

	Biological Process
GO:0009214	cyclic nucleotide catabolic process

	Cellular Component
GO:0016020	membrane

PDB	RCSB:3zbr, PDBe:3zbr, PDBj:3zbr
PDBsum	3zbr
PubMed	23831225
UniProt	P16330\|CN37_MOUSE 2',3'-cyclic-nucleotide 3'-phosphodiesterase (Gene Name=Cnp)

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Structure of PDB 3zbr Chain A Binding Site BS01