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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: 97
This union binding pocket(no: 1) in the query (biounit: 1pfy.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1U4J MAN None
2 5Y0Q APC 1.38249
3 2Z49 AMG 1.38889
4 2Z48 A2G 1.38889
5 4UP4 GAL NAG 1.74564
6 4TVD BGC 1.81488
7 5ZDK ATP 2.0073
8 3AFH GSU 2.04918
9 1RV0 NDG 2.13415
10 3FXU TSU 2.29508
11 5Y0N ATP 2.29885
12 3COW 52H 2.32558
13 4CM4 4NR 2.43056
14 4CM9 YGL 2.43056
15 5DK4 5BX 2.43161
16 5DK4 ATP 2.43161
17 5O0B 9FE 2.46914
18 2WD7 VGD 2.61194
19 5GZ9 MAN 2.62295
20 4XZ6 TMO 2.65487
21 6AC9 ANP 2.7027
22 2GK6 ADP 2.72232
23 4E28 9MZ 2.76923
24 5LLT DND 2.8169
25 4URF 1PS 2.82258
26 1WPQ 13P 2.86533
27 5N5U AMP 2.86624
28 4PTN PYR 2.91545
29 5WJ6 B4A 2.96846
30 5VLQ ANP 3.0853
31 1JIL 485 3.09524
32 5X3D 7XL 3.125
33 1MJT ITU 3.17003
34 4YJK URA 3.1746
35 3UC5 ATP 3.18471
36 1HSR BHO 3.19767
37 2J1E NDG GAL 3.33333
38 6GR0 F8W 3.44828
39 6F8A HIS 3.5
40 5EY0 ILE 3.64964
41 1OCU PIB 3.7037
42 1YUM NCN 3.71901
43 2PID YSA 3.99274
44 4A91 GLU 4.02685
45 1JPA ANP 4.16667
46 2GKS ADP 4.21245
47 3HL4 CDC 4.23729
48 1NXJ TLA 4.37158
49 5OKT 9XK 4.4586
50 5XJD 87L 4.54545
51 4NFE BEN 4.64135
52 3ND6 ATP 4.71869
53 4CS9 AMP 4.7619
54 1SQL GUN 4.79452
55 4MAF ADX 4.9505
56 3G89 SAM 5.26316
57 4OE4 NAD 5.62613
58 2XOC ADP 5.74713
59 4NTO 1PW 5.7971
60 3TY3 GGG 6.01093
61 1KQN NAD 6.09319
62 4J75 TYM 6.11247
63 5IGL BMF 6.45161
64 1EXF GLY 6.61157
65 2X3F APC 6.66667
66 2QTR NXX 6.87831
67 3DAK ANP 6.89655
68 1R6T TYM 6.91824
69 2QX0 PH2 6.91824
70 3C8Z 5CA 7.00483
71 1V47 ADX 7.44986
72 1R6U TYM 7.55149
73 1YID ATP 7.69231
74 1F9A ATP 7.7381
75 5EXE 5SR 7.93651
76 5T52 NGA 8.26446
77 1J09 GLU 8.33333
78 1J09 ATP 8.33333
79 4O08 PO6 8.41121
80 1N1D C2G 8.52713
81 3KP6 SAL 8.60927
82 3IX1 NFM 9.60265
83 1K4M NAD 9.85915
84 5Y0T TAT 10.8235
85 2H29 DND 11.1111
86 5HZ9 5M8 11.1111
87 3ZIU LSS 11.6152
88 1JZS MRC 12.3412
89 1O6B ADP 12.426
90 2EUG URA 12.6638
91 3GUZ PAF 13.0682
92 2V7O DRN 13.0952
93 4NAT 2W5 13.125
94 4FHT DHB 14.6497
95 2V0C LEU LMS 14.7005
96 2PS1 ORO 16.3717
97 6CHP F0Y 26.7081
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