Receptor
PDB id Resolution Class Description Source Keywords
1PFY 1.93 Å EC: 6.1.1.10 METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH METHIONYL SULPHAMOYL ADENOSINE ESCHERICHIA COLI ROSSMANN FOLD LIGASE
Ref.: USE OF ANALOGUES OF METHIONINE AND METHIONYL ADENYLATE TO SAMPLE CONFORMATIONAL CHANGES DURING CATALYSIS IN ESCHERICHIA COLI METHIONYL-TRNA SYNTHETASE. J.MOL.BIOL. V. 332 59 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MSP A:553;
Valid;
none;
ic50 ~ 7 nM
479.532 C15 H25 N7 O7 S2 CSCC[...
ZN A:552;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PFY 1.93 Å EC: 6.1.1.10 METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH METHIONYL SULPHAMOYL ADENOSINE ESCHERICHIA COLI ROSSMANN FOLD LIGASE
Ref.: USE OF ANALOGUES OF METHIONINE AND METHIONYL ADENYLATE TO SAMPLE CONFORMATIONAL CHANGES DURING CATALYSIS IN ESCHERICHIA COLI METHIONYL-TRNA SYNTHETASE. J.MOL.BIOL. V. 332 59 2003
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1PFV - 2FM C5 H9 F2 N O2 S C(CSC(F)F)....
2 1PG2 - ADN C10 H13 N5 O4 c1nc(c2c(n....
3 1PFU Kd = 1900 uM MPJ C4 H12 N O2 P S CSCC[C@H](....
4 1F4L - MET C5 H11 N O2 S CSCC[C@@H]....
5 3H9B - NOT C6 H12 N4 O2 C(CCN=[N+]....
6 1PFW - MF3 C5 H8 F3 N O2 S C(CSC(F)(F....
7 1PG0 Kd ~ 1 uM MOD C15 H27 N6 O7 P S CSCC[C@@H]....
8 1PFY ic50 ~ 7 nM MSP C15 H25 N7 O7 S2 CSCC[C@@H]....
9 3H99 - MET C5 H11 N O2 S CSCC[C@@H]....
10 1P7P - MPH C4 H12 N O3 P S CSCC[C@H](....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1PFV - 2FM C5 H9 F2 N O2 S C(CSC(F)F)....
2 1PG2 - ADN C10 H13 N5 O4 c1nc(c2c(n....
3 1PFU Kd = 1900 uM MPJ C4 H12 N O2 P S CSCC[C@H](....
4 1F4L - MET C5 H11 N O2 S CSCC[C@@H]....
5 3H9B - NOT C6 H12 N4 O2 C(CCN=[N+]....
6 1PFW - MF3 C5 H8 F3 N O2 S C(CSC(F)(F....
7 1PG0 Kd ~ 1 uM MOD C15 H27 N6 O7 P S CSCC[C@@H]....
8 1PFY ic50 ~ 7 nM MSP C15 H25 N7 O7 S2 CSCC[C@@H]....
9 3H99 - MET C5 H11 N O2 S CSCC[C@@H]....
10 1P7P - MPH C4 H12 N O3 P S CSCC[C@H](....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1PFV - 2FM C5 H9 F2 N O2 S C(CSC(F)F)....
2 1PG2 - ADN C10 H13 N5 O4 c1nc(c2c(n....
3 1PFU Kd = 1900 uM MPJ C4 H12 N O2 P S CSCC[C@H](....
4 1F4L - MET C5 H11 N O2 S CSCC[C@@H]....
5 3H9B - NOT C6 H12 N4 O2 C(CCN=[N+]....
6 1PFW - MF3 C5 H8 F3 N O2 S C(CSC(F)(F....
7 1PG0 Kd ~ 1 uM MOD C15 H27 N6 O7 P S CSCC[C@@H]....
8 1PFY ic50 ~ 7 nM MSP C15 H25 N7 O7 S2 CSCC[C@@H]....
9 3H99 - MET C5 H11 N O2 S CSCC[C@@H]....
10 1P7P - MPH C4 H12 N O3 P S CSCC[C@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MSP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 MSP 1 1
2 MOD 0.589286 0.840426
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PFY; Ligand: MSP; 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: 1pfy.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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