Receptor
PDB id Resolution Class Description Source Keywords
4JVA 2.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF RIIBETA(108-402) BOUND TO HE33, A N6 DI SUBSTITUTED CAMP ANALOG RATTUS NORVEGICUS CAMP-DEPENDENT PROTEIN KINASE CYCLIC NUCLEOTIDE ANALOGS ISSELECTIVITY FLUORESCENCE ANISOTROPY TRANSFERASE-TRANSFERAINHIBITOR COMPLEX
Ref.: IMPLEMENTING FLUORESCENCE ANISOTROPY SCREENING AND CRYSTALLOGRAPHIC ANALYSIS TO DEFINE PKA ISOFORM-SEL ACTIVATION BY CAMP ANALOGS. ACS CHEM.BIOL. V. 8 2164 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1OR A:501;
A:502;
Valid;
Valid;
none;
none;
submit data
413.365 C16 H24 N5 O6 P CCCN(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CX4 2.45 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF A DELETION MUTANT OF THE TYPE II BETA REGULATORY SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE RATTUS NORVEGICUS BETA BARREL CAMP-DEPENDENT PROTEIN KINASE CAMP-BINDING REGULATORY SUBUNIT SIGNALING PROTEIN
Ref.: MOLECULAR BASIS FOR REGULATORY SUBUNIT DIVERSITY IN CAMP-DEPENDENT PROTEIN KINASE: CRYSTAL STRUCTURE OF THE TYPE II BETA REGULATORY SUBUNIT. STRUCTURE V. 9 73 2001
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 1CX4 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 4JVA - 1OR C16 H24 N5 O6 P CCCN(CCC)c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 1CX4 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 4JVA - 1OR C16 H24 N5 O6 P CCCN(CCC)c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 3OF1 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 1CX4 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
3 4JVA - 1OR C16 H24 N5 O6 P CCCN(CCC)c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1OR; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 1OR 1 1
2 2BA 0.635294 0.797468
3 CMP 0.635294 0.807692
4 N6S 0.523364 0.858974
5 N6R 0.523364 0.858974
6 1YD 0.509259 0.741176
7 4BW 0.509259 0.741176
8 6SX 0.505376 0.815789
9 6SZ 0.494737 0.797468
10 7CH 0.494624 0.794872
11 PCG 0.474747 0.729412
12 C2E 0.474747 0.741176
13 35G 0.474747 0.729412
14 SP1 0.472527 0.759036
15 RP1 0.472527 0.759036
16 1SY 0.453782 0.741176
17 4UR 0.445378 0.741176
18 6SW 0.44 0.756098
Similar Ligands (3D)
Ligand no: 1; Ligand: 1OR; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CX4; Ligand: CMP; Similar sites found with APoc: 16
This union binding pocket(no: 1) in the query (biounit: 1cx4.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2PTM CMP 29.2929
2 4MUV PCG 37.3239
3 4MUV PCG 37.3239
4 4MUV PCG 37.3239
5 4MUV PCG 37.3239
6 4KU7 PCG 39.8693
7 3SHR CMP 42.1405
8 3SHR CMP 42.1405
9 4OFG PCG 43.0556
10 5JAX 6J7 45.1852
11 5BV6 35G 47.3684
12 3OCP CMP 48.2014
13 5C8W PCG 48.2517
14 5C8W PCG 48.2517
15 5C8W PCG 48.2517
16 5C8W PCG 48.2517
Pocket No.: 2; Query (leader) PDB : 1CX4; Ligand: CMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1cx4.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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