Receptor
PDB id Resolution Class Description Source Keywords
4MUV 1.25 Å NON-ENZYME: OTHER M. LOTI CYCLIC-NUCLEOTIDE BINDING DOMAIN MUTANT DISPLAYING I LIGAND SELECTIVITY, CYCLIC-GMP BOUND MESORHIZOBIUM LOTI MLOTIK1 CNBD MUTANT CGMP-COMPLEX CYCLIC-NUCLEOTIDE BINDINGMEMBRANE PROTEIN DOMAIN METAL TRANSPORT NUCLEOTIDE BINDIN
Ref.: DETERMINANTS OF LIGAND SELECTIVITY IN A CYCLIC NUCLEOTIDE-REGULATED POTASSIUM CHANNEL. J.GEN.PHYSIOL. V. 144 41 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PCG A:401;
B:401;
Valid;
Valid;
none;
none;
Kd = 336 nM
345.205 C10 H12 N5 O7 P c1nc2...
NA A:402;
B:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MUV 1.25 Å NON-ENZYME: OTHER M. LOTI CYCLIC-NUCLEOTIDE BINDING DOMAIN MUTANT DISPLAYING I LIGAND SELECTIVITY, CYCLIC-GMP BOUND MESORHIZOBIUM LOTI MLOTIK1 CNBD MUTANT CGMP-COMPLEX CYCLIC-NUCLEOTIDE BINDINGMEMBRANE PROTEIN DOMAIN METAL TRANSPORT NUCLEOTIDE BINDIN
Ref.: DETERMINANTS OF LIGAND SELECTIVITY IN A CYCLIC NUCLEOTIDE-REGULATED POTASSIUM CHANNEL. J.GEN.PHYSIOL. V. 144 41 2014
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 1VP6 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 3CL1 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
3 4MUV Kd = 336 nM PCG C10 H12 N5 O7 P c1nc2c(n1[....
4 3CLP - CMP C10 H12 N5 O6 P c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 1VP6 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 3CL1 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
3 4MUV Kd = 336 nM PCG C10 H12 N5 O7 P c1nc2c(n1[....
4 3CLP - CMP C10 H12 N5 O6 P c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 1VP6 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 3CL1 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
3 4MUV Kd = 336 nM PCG C10 H12 N5 O7 P c1nc2c(n1[....
4 3CLP - CMP C10 H12 N5 O6 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PCG; Similar ligands found: 60
No: Ligand ECFP6 Tc MDL keys Tc
1 PCG 1 1
2 C2E 1 0.986111
3 35G 1 1
4 4BW 0.806818 0.986111
5 1YD 0.806818 0.986111
6 5GP 5GP 0.743902 0.945205
7 4UR 0.731959 0.986111
8 KT2 0.669903 0.986111
9 6SW 0.627907 0.957747
10 1YC 0.616162 0.958333
11 6J7 0.58427 0.946667
12 CMP 0.534091 0.888889
13 2BA 0.534091 0.902778
14 GMP 0.53012 0.84
15 1SY 0.495575 0.986111
16 6SZ 0.483871 0.902778
17 SGP 0.483871 0.835443
18 3GP 0.478261 0.932432
19 1OR 0.474747 0.729412
20 G 0.468085 0.945946
21 5GP 0.468085 0.945946
22 7CH 0.467391 0.875
23 6SX 0.462366 0.847222
24 6JR 0.457944 0.930556
25 G2R 0.457143 0.897436
26 GPX 0.451923 0.906667
27 GP3 0.44898 0.934211
28 2GP 0.446809 0.92
29 GDP 0.444444 0.933333
30 GP2 0.444444 0.897436
31 GNH 0.44 0.921053
32 KB7 0.44 0.790123
33 P2G 0.4375 0.893333
34 G2P 0.436893 0.897436
35 GMV 0.431373 0.909091
36 ALF 5GP 0.431373 0.851852
37 GTP 0.431373 0.933333
38 G1R 0.427184 0.921053
39 GCP 0.427184 0.909091
40 9GM 0.423077 0.909091
41 G3D 0.423077 0.945946
42 GSP 0.423077 0.886076
43 GNP 0.423077 0.909091
44 GDP AF3 0.420561 0.851852
45 G4P 0.415094 0.945946
46 GAV 0.415094 0.897436
47 P1G 0.414141 0.881579
48 KBD 0.412844 0.8125
49 Y9Z 0.410714 0.843373
50 GCP G 0.409091 0.906667
51 GDP ALF 0.407407 0.851852
52 ALF GDP 0.407407 0.851852
53 G G 0.40708 0.934211
54 N6S 0.40708 0.818182
55 N6R 0.40708 0.818182
56 G3A 0.403509 0.934211
57 YGP 0.401786 0.8875
58 G5P 0.4 0.934211
59 GPG 0.4 0.922078
60 0O2 0.4 0.945946
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MUV; Ligand: PCG; Similar sites found with APoc: 19
This union binding pocket(no: 1) in the query (biounit: 4muv.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5BV6 35G 32.3944
2 3PNA CMP 35.2113
3 1NE6 SP1 35.2113
4 1NE6 SP1 35.2113
5 3OCP CMP 35.9712
6 3OCP CMP 35.9712
7 5C8W PCG 37.3239
8 5C8W PCG 37.3239
9 5C8W PCG 37.3239
10 1CX4 CMP 37.3239
11 5K8S CMP 38.0282
12 5K8S CMP 38.0282
13 5KJZ PCG 38.0282
14 3SHR CMP 38.7324
15 3SHR CMP 38.7324
16 2PTM CMP 40.1408
17 4KU7 PCG 40.1408
18 5JAX 6J7 42.2222
19 4NVP 7CH 43.662
Pocket No.: 2; Query (leader) PDB : 4MUV; Ligand: PCG; Similar sites found with APoc: 28
This union binding pocket(no: 2) in the query (biounit: 4muv.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4OFG PCG 28.8732
2 3KCC CMP 30.9859
3 3KCC CMP 30.9859
4 5BV6 35G 32.3944
5 3PNA CMP 35.2113
6 1NE6 SP1 35.2113
7 3PNA CMP 35.2113
8 3PNA CMP 35.2113
9 3PNA CMP 35.2113
10 3OCP CMP 35.9712
11 3OCP CMP 35.9712
12 5C8W PCG 37.3239
13 5C8W PCG 37.3239
14 5C8W PCG 37.3239
15 1CX4 CMP 37.3239
16 5C8W PCG 37.3239
17 5K8S CMP 38.0282
18 5KBF CMP 38.0282
19 5KBF CMP 38.0282
20 5K8S CMP 38.0282
21 3SHR CMP 38.7324
22 3SHR CMP 38.7324
23 4AVB CMP 38.7324
24 3OF1 CMP 38.7324
25 2PTM CMP 40.1408
26 4KU7 PCG 40.1408
27 5JAX 6J7 42.2222
28 4NVP 7CH 43.662
Pocket No.: 3; Query (leader) PDB : 4MUV; Ligand: PCG; Similar sites found with APoc: 20
This union binding pocket(no: 3) in the query (biounit: 4muv.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5BV6 35G 32.3944
2 3PNA CMP 35.2113
3 1NE6 SP1 35.2113
4 1NE6 SP1 35.2113
5 3OCP CMP 35.9712
6 3OCP CMP 35.9712
7 5C8W PCG 37.3239
8 5C8W PCG 37.3239
9 5C8W PCG 37.3239
10 1CX4 CMP 37.3239
11 5K8S CMP 38.0282
12 5K8S CMP 38.0282
13 5KJZ PCG 38.0282
14 3SHR CMP 38.7324
15 3SHR CMP 38.7324
16 3SHR CMP 38.7324
17 2PTM CMP 40.1408
18 4KU7 PCG 40.1408
19 5JAX 6J7 42.2222
20 4NVP 7CH 43.662
Pocket No.: 4; Query (leader) PDB : 4MUV; Ligand: PCG; Similar sites found with APoc: 31
This union binding pocket(no: 4) in the query (biounit: 4muv.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4OFG PCG 28.8732
2 5BV6 35G 32.3944
3 3PNA CMP 35.2113
4 3PNA CMP 35.2113
5 3PNA CMP 35.2113
6 3PNA CMP 35.2113
7 1NE6 SP1 35.2113
8 3OCP CMP 35.9712
9 3OCP CMP 35.9712
10 5C8W PCG 37.3239
11 5C8W PCG 37.3239
12 5C8W PCG 37.3239
13 5C8W PCG 37.3239
14 5C8W PCG 37.3239
15 1CX4 CMP 37.3239
16 5KBF CMP 38.0282
17 5KBF CMP 38.0282
18 5KBF CMP 38.0282
19 5K8S CMP 38.0282
20 3OF1 CMP 38.7324
21 3SHR CMP 38.7324
22 3SHR CMP 38.7324
23 3SHR CMP 38.7324
24 3SHR CMP 38.7324
25 3OF1 CMP 38.7324
26 4AVB CMP 38.7324
27 4AVB CMP 38.7324
28 2PTM CMP 40.1408
29 4KU7 PCG 40.1408
30 5JAX 6J7 42.2222
31 4NVP 7CH 43.662
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