-->
Receptor
PDB id Resolution Class Description Source Keywords
1JZS 2.5 Å EC: 6.1.1.5 ISOLEUCYL-TRNA SYNTHETASE COMPLEXED WITH MUPIROCIN THERMUS THERMOPHILUS AMINOACYL-TRNA SYNTHETASE RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS LIGASE
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION OF ISOLEUCYL-ADENYLATE AND AN ANTIBIOTIC, MUPIROCIN, BY ISOLEUCYL-TRNA SYNTHETASE. J.BIOL.CHEM. V. 276 47387 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MRC A:1301;
Valid;
none;
Ki = 0.25 uM
500.622 C26 H44 O9 CC([C...
ZN A:1101;
A:1102;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JZS 2.5 Å EC: 6.1.1.5 ISOLEUCYL-TRNA SYNTHETASE COMPLEXED WITH MUPIROCIN THERMUS THERMOPHILUS AMINOACYL-TRNA SYNTHETASE RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS LIGASE
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION OF ISOLEUCYL-ADENYLATE AND AN ANTIBIOTIC, MUPIROCIN, BY ISOLEUCYL-TRNA SYNTHETASE. J.BIOL.CHEM. V. 276 47387 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1JZS Ki = 0.25 uM MRC C26 H44 O9 CC([C@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1JZS Ki = 0.25 uM MRC C26 H44 O9 CC([C@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1JZS Ki = 0.25 uM MRC C26 H44 O9 CC([C@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MRC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MRC 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JZS; Ligand: MRC; Similar sites found with APoc: 65
This union binding pocket(no: 1) in the query (biounit: 1jzs.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4AUT FAD 1.7094
2 4WBD CIT 1.84843
3 4P8K 38C 1.875
4 4P8K FAD 1.875
5 5ZDK ATP 2.0073
6 2X3F APC 2.10526
7 5O4J PJL 2.18978
8 5O4J 9KH 2.18978
9 5O4J SAH 2.18978
10 5G3U ITW 2.36407
11 5G3U FDA 2.36407
12 3B6C SDN 2.5641
13 5Y0T TAT 3.05882
14 1R6T TYM 3.14465
15 1REO FAD 3.29218
16 5TS5 FAD 3.30579
17 3COW 52H 3.32226
18 3AI3 SOE 3.42205
19 1R6U TYM 3.43249
20 2IID PHE 3.61446
21 2IID FAD 3.61446
22 4J75 TYM 3.66748
23 2H29 DND 3.7037
24 1II5 GLU 3.86266
25 3C8Z 5CA 3.86473
26 4NTO 1PW 4.34783
27 3AFH GSU 4.5082
28 2IVD FAD 4.60251
29 2YG3 FAD 5.29801
30 4ZCC NAI 5.65476
31 4ZCC FAD 5.65476
32 1WB4 SXX 5.72391
33 4A91 GLU 6.04027
34 1N1D C2G 6.20155
35 4GNC ASO 6.68896
36 1KQN NAD 6.81004
37 5X3D 7XL 6.875
38 4CP8 MLI 7.18686
39 3AYI FAD 7.21221
40 3AYI HCI 7.21221
41 4DXD GDP 7.32323
42 5DK4 ATP 7.59878
43 5DK4 5BX 7.59878
44 1J09 GLU 7.69231
45 1J09 ATP 7.69231
46 5ODQ FAD 8.69565
47 5N5U AMP 9.23567
48 2QTR NXX 10.0529
49 1LOB MMA 11.5385
50 5LLT DND 11.7371
51 5XXH E0D 12.0301
52 1PFY MSP 12.3412
53 3KFL ME8 12.9433
54 2PID YSA 13.2022
55 1K4M NAD 16.9014
56 2X1L ADN 16.9847
57 2X1L MET 16.9847
58 3ZIU LSS 18.5243
59 5XET ME8 20.794
60 5V49 8WA 20.8487
61 5V49 MET 20.8487
62 1LNX URI 23.4568
63 2IMG MLT 25.8278
64 3PMA SCR 31.0345
65 2V0C LEU LMS 40.6821
APoc FAQ
Feedback