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 n/a n/a n/a n/a
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 (35)
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 5O2L - ADP BEF n/a n/a
29 4PJN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
30 2V26 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
31 4PJM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
32 4PJL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
33 4PFO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
34 1JWY - BGC C6 H12 O6 C([C@@H]1[....
35 5I0H - ADP BEF n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MNT BEF; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LVK; Ligand: MNT BEF; Similar sites found with APoc: 12
This union binding pocket(no: 1) in the query (biounit: 1lvk.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 2AWN ADP 1.5748
2 2XT3 ADP 2.03488
3 1T5C ADP 2.86533
4 3LRE ADP 3.09859
5 4FRZ ADP 3.88601
6 1GOJ ADP 5.07042
7 3ZFD ANP 5.69801
8 2NCD ADP 6.19048
9 2KIN ADP 7
10 2VVG ADP 7.71429
11 1BG2 ADP 10.4615
12 3H4S ADP 14.8148
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