Receptor
PDB id Resolution Class Description Source Keywords
1LVK 1.9 Å EC: 3.6.1.32 X-RAY CRYSTAL STRUCTURE OF THE MG (DOT) 2'(3')-O-(N- METHYLANTHRANILOYL) NUCLEOTIDE BOUND TO DICTYOSTELIUM D ISCOIDEUM MYOSIN MOTOR DOMAIN DICTYOSTELIUM DISCOIDEUM MYOSIN DICTYOSTELIUM MOTOR MANT ATPASE ACTIN-BINDING COILED COIL CONTRACTILE PROTEIN
Ref.: X-RAY CRYSTAL STRUCTURE AND SOLUTION FLUORESCENCE CHARACTERIZATION OF MG.2'(3')-O-(N-METHYLANTHRANILOYL) NUCLEOTIDES BOUND TO THE DICTYOSTELIUM DISCOIDEUM MYOSIN MOTOR DOMAIN. J.MOL.BIOL. V. 274 394 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:998;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
MNT BEF A:999;
Valid;
none;
Kd = 1.2 uM
607.336 n/a [P+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LVK 1.9 Å EC: 3.6.1.32 X-RAY CRYSTAL STRUCTURE OF THE MG (DOT) 2'(3')-O-(N- METHYLANTHRANILOYL) NUCLEOTIDE BOUND TO DICTYOSTELIUM D ISCOIDEUM MYOSIN MOTOR DOMAIN DICTYOSTELIUM DISCOIDEUM MYOSIN DICTYOSTELIUM MOTOR MANT ATPASE ACTIN-BINDING COILED COIL CONTRACTILE PROTEIN
Ref.: X-RAY CRYSTAL STRUCTURE AND SOLUTION FLUORESCENCE CHARACTERIZATION OF MG.2'(3')-O-(N-METHYLANTHRANILOYL) NUCLEOTIDES BOUND TO THE DICTYOSTELIUM DISCOIDEUM MYOSIN MOTOR DOMAIN. J.MOL.BIOL. V. 274 394 1997
Members (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1LVK Kd = 1.2 uM MNT BEF n/a n/a
2 1MMA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1YV3 - BIT C18 H16 N2 O2 Cc1ccc2c(c....
4 3BZ7 - BL4 C18 H16 N2 O2 Cc1cccc2c1....
5 1D0Y - ONP C8 H11 Be F3 N2 O9 P2 [Be-](O[P@....
6 3BZ9 - BL7 C17 H14 N2 O2 c1ccc(cc1)....
7 1D1A - DAE C8 H10 Be F3 N3 O11 P2 [Be-](O[P@....
8 2XO8 - H70 C10 H4 Br3 Cl2 N O c1c(cc(c(c....
9 1D0Z - PNQ C8 H11 Be F3 N2 O9 P2 [Be](O[P@@....
10 1D1C - NMQ C9 H13 Be F3 N2 O9 P2 [Be-](O[P@....
11 2JJ9 - AD9 C10 H16 N5 O13 P2 V c1nc(c2c(n....
12 3MYH - BIT C18 H16 N2 O2 Cc1ccc2c(c....
13 1MMD - ADP BEF n/a n/a
14 1D0X - MNQ C8 H11 Be F3 N2 O9 P2 [Be-](O[P@....
15 1FMW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 4PJK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 3MJX - BIT C18 H16 N2 O2 Cc1ccc2c(c....
18 2XEL - IA2 C10 H4 Cl5 N O c1c(cc(c(c....
19 1MMN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
20 3MYK - BIT C18 H16 N2 O2 Cc1ccc2c(c....
21 1MMG - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
22 1VOM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 3BZ8 - BL6 C18 H16 N2 O2 Cc1ccc2c(c....
24 1D1B - DAQ C9 H12 Be F3 N3 O11 P2 [Be](O[P@@....
70% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1LVK Kd = 1.2 uM MNT BEF n/a n/a
2 1MMA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1YV3 - BIT C18 H16 N2 O2 Cc1ccc2c(c....
4 3BZ7 - BL4 C18 H16 N2 O2 Cc1cccc2c1....
5 1D0Y - ONP C8 H11 Be F3 N2 O9 P2 [Be-](O[P@....
6 3BZ9 - BL7 C17 H14 N2 O2 c1ccc(cc1)....
7 1D1A - DAE C8 H10 Be F3 N3 O11 P2 [Be-](O[P@....
8 2XO8 - H70 C10 H4 Br3 Cl2 N O c1c(cc(c(c....
9 1D0Z - PNQ C8 H11 Be F3 N2 O9 P2 [Be](O[P@@....
10 1D1C - NMQ C9 H13 Be F3 N2 O9 P2 [Be-](O[P@....
11 2JJ9 - AD9 C10 H16 N5 O13 P2 V c1nc(c2c(n....
12 3MYH - BIT C18 H16 N2 O2 Cc1ccc2c(c....
13 1MMD - ADP BEF n/a n/a
14 1D0X - MNQ C8 H11 Be F3 N2 O9 P2 [Be-](O[P@....
15 1FMW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 4PJK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 3MJX - BIT C18 H16 N2 O2 Cc1ccc2c(c....
18 2XEL - IA2 C10 H4 Cl5 N O c1c(cc(c(c....
19 1MMN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
20 3MYK - BIT C18 H16 N2 O2 Cc1ccc2c(c....
21 1MMG - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
22 1VOM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 3BZ8 - BL6 C18 H16 N2 O2 Cc1ccc2c(c....
24 1D1B - DAQ C9 H12 Be F3 N3 O11 P2 [Be](O[P@@....
25 1JWY - BGC C6 H12 O6 C([C@@H]1[....
50% Homology Family (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1LVK Kd = 1.2 uM MNT BEF n/a n/a
2 1MMA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1YV3 - BIT C18 H16 N2 O2 Cc1ccc2c(c....
4 3BZ7 - BL4 C18 H16 N2 O2 Cc1cccc2c1....
5 1D0Y - ONP C8 H11 Be F3 N2 O9 P2 [Be-](O[P@....
6 3BZ9 - BL7 C17 H14 N2 O2 c1ccc(cc1)....
7 1D1A - DAE C8 H10 Be F3 N3 O11 P2 [Be-](O[P@....
8 2XO8 - H70 C10 H4 Br3 Cl2 N O c1c(cc(c(c....
9 1D0Z - PNQ C8 H11 Be F3 N2 O9 P2 [Be](O[P@@....
10 1D1C - NMQ C9 H13 Be F3 N2 O9 P2 [Be-](O[P@....
11 2JJ9 - AD9 C10 H16 N5 O13 P2 V c1nc(c2c(n....
12 3MYH - BIT C18 H16 N2 O2 Cc1ccc2c(c....
13 1MMD - ADP BEF n/a n/a
14 1D0X - MNQ C8 H11 Be F3 N2 O9 P2 [Be-](O[P@....
15 1FMW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 4PJK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 3MJX - BIT C18 H16 N2 O2 Cc1ccc2c(c....
18 2XEL - IA2 C10 H4 Cl5 N O c1c(cc(c(c....
19 1MMN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
20 3MYK - BIT C18 H16 N2 O2 Cc1ccc2c(c....
21 1MMG - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
22 1VOM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 3BZ8 - BL6 C18 H16 N2 O2 Cc1ccc2c(c....
24 1D1B - DAQ C9 H12 Be F3 N3 O11 P2 [Be](O[P@@....
25 5HMP - VO4 ADP n/a n/a
26 4ZG4 - VO4 ADP n/a n/a
27 4PFP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
28 4PJN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 2V26 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
30 4PJM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
31 4PJL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
32 4PFO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
33 1JWY - BGC C6 H12 O6 C([C@@H]1[....
34 5I0H - ADP BEF n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MNT BEF; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 MNT BEF 1 1
2 ADP BEF 0.438596 0.839506
3 BEF ADP 0.438596 0.839506
4 ADP MG 0.417391 0.814815
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LVK; Ligand: MNT BEF; Similar sites found: 14
This union binding pocket(no: 1) in the query (biounit: 1lvk.bio1) has 49 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FJK 13P 0.03871 0.41356 2.29508
2 3GAY P6T 0.02229 0.4071 2.47678
3 1Z2A GDP 0.009795 0.41807 4.16667
4 1AKY AP5 0.003864 0.40364 5
5 2CBZ ATP 0.00001169 0.63496 5.06329
6 5N53 8NB 0.02598 0.43272 5.12821
7 3QBT GNP 0.0001511 0.49183 5.74713
8 2Q2Y ADP 0.002603 0.40357 6.81199
9 2Q2Y MKR 0.002603 0.40357 6.81199
10 2OFW ADX 0.00007636 0.40738 7.69231
11 2DPY ADP 0.0004424 0.52957 10.5023
12 2VDV SAM 0.03709 0.40791 11.7886
13 1HE1 AF3 0.002994 0.48334 12.5926
14 1HE1 GDP 0.001306 0.46509 12.5926
Feedback