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 263 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 196 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 (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 3OF1 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 4JVA - 1OR C16 H24 N5 O6 P CCCN(CCC)c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1OR; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 1OR 1 1
2 CMP 0.635294 0.807692
3 2BA 0.635294 0.797468
4 N6R 0.523364 0.858974
5 N6S 0.523364 0.858974
6 4BW 0.509259 0.741176
7 1YD 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 Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CX4; Ligand: CMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1cx4.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1CX4; Ligand: CMP; Similar sites found: 58
This union binding pocket(no: 2) in the query (biounit: 1cx4.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3B8I OXL 0.01829 0.40987 1.39373
2 5CDH TLA 0.005042 0.4227 2.29508
3 1VB3 KPA 0.02198 0.4016 2.29508
4 4Z7X 3CX 0.003642 0.44596 2.52101
5 4TM3 FAD 0.04279 0.40945 2.62295
6 4RQL SNE 0.01132 0.41166 2.95082
7 1Q19 SSC 0.01351 0.41584 3.27869
8 1WD4 AHR 0.009798 0.41476 3.27869
9 3BIB PSF 0.02889 0.40148 3.44828
10 3U1T MLI 0.01699 0.40883 3.60656
11 1VBH PEP 0.02135 0.40351 3.60656
12 4JWK CTN 0.005521 0.43259 3.62694
13 1OCU PIB 0.02701 0.4081 3.7037
14 3NOJ PYR 0.01624 0.41434 3.78151
15 5UGW GSH 0.04138 0.40465 4
16 4URG C2E 0.008932 0.42056 4.19162
17 3MDV CL6 0.003457 0.42747 4.2623
18 4V3I ASP LEU THR ARG PRO 0.01758 0.41104 4.28016
19 4X17 SIA SIA 0.0132 0.40836 4.41176
20 3BWR GAL NGA SIA GAL BGC 0.01464 0.40614 4.77941
21 1KQR MNA 0.005028 0.4501 5.02793
22 1NW4 IMH 0.01578 0.40452 5.07246
23 3B9Z CO2 0.01163 0.40421 5.2459
24 4JGT PYR 0.02314 0.40301 5.35117
25 2AL2 PEP 0.01324 0.40013 5.57377
26 1XX4 BAM 0.02687 0.40106 6.51341
27 5HVJ ANP 0.02228 0.40051 6.55738
28 3MMH SME 0.01061 0.40872 6.58683
29 4YEE 4CQ 0.02328 0.40212 6.66667
30 1IT7 GUN 0.01195 0.40623 7.21311
31 1V1A KDG 0.01672 0.40328 7.21311
32 5CAD PCA 0.01084 0.42434 9.18033
33 4X5S AZM 0.02849 0.40069 9.48276
34 5FQK 6NT 0.008983 0.42288 9.66543
35 4Y8D 49J 0.005148 0.40748 10.1639
36 4AVB CMP 0.0000001115 0.63735 12.459
37 3KCC CMP 0.0000001612 0.60707 15.3846
38 3LA3 2FT 0.0006781 0.48103 16.8724
39 5N18 8HZ 0.01649 0.40779 17.4312
40 4CYD CMP 0.00000004893 0.63511 17.7778
41 2B4B B33 0.02236 0.40909 19.2982
42 2GN2 C5P 0.01011 0.42074 19.3443
43 2XKO AKG 0.0005582 0.48551 19.3694
44 2XHK AKG 0.0005567 0.48241 19.3694
45 3I59 N6R 0.0000000117 0.65703 20.8835
46 3I54 CMP 0.00000002075 0.65171 20.8835
47 3I59 N6S 0.00000003334 0.63708 20.8835
48 3CF6 SP1 0.0000008056 0.58089 23.2787
49 4NVP 7CH 0.00000003908 0.64877 23.445
50 5H5O PCG 0.000009613 0.53972 37.2093
51 4MUV PCG 0.000000002627 0.69172 37.3239
52 4KU7 PCG 0.000000009347 0.68765 39.8693
53 3SHR CMP 0.000000004619 0.71349 42.1405
54 4OFG PCG 0.000000004083 0.70445 43.0556
55 5JAX 6J7 0.000000004293 0.68221 45.1852
56 5BV6 35G 0.00000001948 0.62756 47.3684
57 3OCP CMP 0.00000004802 0.66479 48.2014
58 5C8W PCG 0.0000001318 0.55422 48.2517
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