Receptor
PDB id Resolution Class Description Source Keywords
1K27 1.95 Å EC: 2.4.2.28 CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHO COMPLEX WITH A TRANSITION STATE ANALOGUE HOMO SAPIENS MTAP METHYLTHIOADENOSINE PHOSPHORYLASE TRANSITION STATE ANPHOSPHATE TRANSFERASE
Ref.: PICOMOLAR TRANSITION STATE ANALOGUE INHIBITORS OF H 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND X-RAY STRU WITH MT-IMMUCILLIN-A BIOCHEMISTRY V. 43 9 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MTM A:401;
Valid;
none;
Ki = 1 nM
297.377 C12 H19 N5 O2 S CSC[C...
PO4 A:301;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6DYZ 1.62 Å EC: 2.4.2.28 CRYSTAL STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE IN COMPLEX WITH (3R,4S)-1-((4-AMINO-5H-PYRROLD ]PYRIMIDIN-7-YL)METHYL)-4-((PROP-2-YN-1-YLTHIO)METHYL)PYRROL HOMO SAPIENS MTAP ENZYME CANCER PHOSPHORYLASE TRANSFERASE
Ref.: SELECTIVE INHIBITORS OF HELICOBACTER PYLORI METHYLTHIOADENOSINE NUCLEOSIDASE AND HUMAN METHYLTHIOADENOSINE PHOSPHORYLASE. J. MED. CHEM. V. 62 3286 2019
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1CB0 - ADE C5 H5 N5 c1[nH]c2c(....
2 1SD2 - MTH C12 H16 N4 O3 S CSC[C@@H]1....
3 1CG6 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
4 1K27 Ki = 1 nM MTM C12 H19 N5 O2 S CSC[C@@H]1....
5 1SD1 - FMC C10 H13 N5 O4 c1nc2c(c(n....
6 6DZ0 Kd = 0.94 nM OS3 C17 H23 N5 O S C#CCCCSC[C....
7 6DZ3 Kd = 1.3 nM OS6 C21 H32 N8 O S CCCCn1cc(n....
8 6DYZ Kd = 0.63 nM OS2 C15 H19 N5 O S C#CCSC[C@H....
9 6DZ2 Kd = 1.4 nM OS5 C24 H30 N8 O S c1ccc(cc1)....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1CB0 - ADE C5 H5 N5 c1[nH]c2c(....
2 1SD2 - MTH C12 H16 N4 O3 S CSC[C@@H]1....
3 1CG6 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
4 1K27 Ki = 1 nM MTM C12 H19 N5 O2 S CSC[C@@H]1....
5 1SD1 - FMC C10 H13 N5 O4 c1nc2c(c(n....
6 6DZ0 Kd = 0.94 nM OS3 C17 H23 N5 O S C#CCCCSC[C....
7 6DZ3 Kd = 1.3 nM OS6 C21 H32 N8 O S CCCCn1cc(n....
8 6DYZ Kd = 0.63 nM OS2 C15 H19 N5 O S C#CCSC[C@H....
9 6DZ2 Kd = 1.4 nM OS5 C24 H30 N8 O S c1ccc(cc1)....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5FAK - ADE C5 H5 N5 c1[nH]c2c(....
2 5F7O - ADE C5 H5 N5 c1[nH]c2c(....
3 5F77 - ADE C5 H5 N5 c1[nH]c2c(....
4 5F7X - TBN C11 H14 N4 O4 c1cn(c2c1c....
5 5F76 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
6 5F7J - ADE C5 H5 N5 c1[nH]c2c(....
7 3T94 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
8 1CB0 - ADE C5 H5 N5 c1[nH]c2c(....
9 1SD2 - MTH C12 H16 N4 O3 S CSC[C@@H]1....
10 1CG6 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
11 1K27 Ki = 1 nM MTM C12 H19 N5 O2 S CSC[C@@H]1....
12 1SD1 - FMC C10 H13 N5 O4 c1nc2c(c(n....
13 6DZ0 Kd = 0.94 nM OS3 C17 H23 N5 O S C#CCCCSC[C....
14 6DZ3 Kd = 1.3 nM OS6 C21 H32 N8 O S CCCCn1cc(n....
15 6DYZ Kd = 0.63 nM OS2 C15 H19 N5 O S C#CCSC[C@H....
16 6DZ2 Kd = 1.4 nM OS5 C24 H30 N8 O S c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MTM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MTM 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6DYZ; Ligand: OS2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6dyz.bio1) has 58 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6DYZ; Ligand: OS2; 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: 6dyz.bio1) has 58 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6DYZ; Ligand: OS2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6dyz.bio1) has 58 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback