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: 38
This union binding pocket(no: 1) in the query (biounit: 1jzs.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4AUT FAD 0.006629 0.42607 1.7094
2 4P8K 38C 0.01346 0.42126 1.875
3 2X3F APC 0.0009255 0.4525 2.10526
4 5O4J PJL 0.01482 0.40451 2.18978
5 5O4J SAH 0.01691 0.40297 2.18978
6 5O4J 9KH 0.01691 0.40297 2.18978
7 5G3U FDA 0.01455 0.41013 2.36407
8 3B6C SDN 0.02539 0.40019 2.5641
9 1REO FAD 0.01495 0.41055 3.29218
10 3AI3 SOE 0.02277 0.40263 3.42205
11 1R6U TYM 0.0004298 0.46227 3.43249
12 4J75 TYM 0.00002254 0.52474 3.66748
13 2H29 DND 0.002215 0.44107 3.7037
14 3C8Z 5CA 0.000009679 0.51447 3.86473
15 3AFH GSU 0.0001131 0.47299 4.5082
16 4ZCC NAI 0.01379 0.42151 5.65476
17 4ZCC FAD 0.01379 0.42151 5.65476
18 1WB4 SXX 0.02308 0.40166 5.72391
19 4A91 GLU 0.002267 0.44486 6.04027
20 1NUS NMN 0.008106 0.42769 6.74603
21 1NUS APC 0.006813 0.42753 6.74603
22 1KQN NAD 0.004735 0.42603 6.81004
23 1J09 GLU 0.000538 0.4502 7.69231
24 1J09 ATP 0.0007532 0.44388 7.69231
25 5ODQ FAD 0.01125 0.41915 8.69565
26 1LOB MMA 0.01503 0.40743 11.5385
27 5LLT DND 0.01702 0.40284 11.7371
28 1PFY MSP 0.0000002346 0.60632 12.3412
29 3KFL ME8 0.0000001111 0.6232 12.9433
30 2PID YSA 0.00006725 0.4418 13.2022
31 1K4M NAD 0.003758 0.42376 16.9014
32 2X1L ADN 0.000001658 0.57751 16.9847
33 2X1L MET 0.002621 0.45679 16.9847
34 3ZIU LSS 0.00009266 0.4897 18.5243
35 5V49 8WA 0.000001755 0.58405 20.8487
36 1LNX URI 0.009258 0.42571 23.4568
37 3PMA SCR 0.008401 0.4342 31.0345
38 2V0C LEU LMS 0.00002947 0.51154 40.6821
Feedback