Receptor
PDB id Resolution Class Description Source Keywords
3vgj 2.21 Å EC: 6.1.1.1 CRYSTAL OF PLASMODIUM FALCIPARUM TYROSYL-TRNA SYNTHETASE (PF COMPLEX WITH ADENYLATE ANALOG PLASMODIUM FALCIPARUM TYRRS SYNTHETASE LIGASE
Ref.: MALARIA PARASITE TYROSYL-TRNA SYNTHETASE SECRETION PRO-INFLAMMATORY RESPONSES. NAT COMMUN V. 2 530 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TYR AMP A:401;
B:401;
 Valid;
Valid;
 none;
none;
 submit data
525.52 n/a P(=O)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VGJ 2.21 Å EC: 6.1.1.1 CRYSTAL OF PLASMODIUM FALCIPARUM TYROSYL-TRNA SYNTHETASE (PF COMPLEX WITH ADENYLATE ANALOG PLASMODIUM FALCIPARUM TYRRS SYNTHETASE LIGASE
Ref.: MALARIA PARASITE TYROSYL-TRNA SYNTHETASE SECRETION PRO-INFLAMMATORY RESPONSES. NAT COMMUN V. 2 530 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3VGJ - TYR AMP n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3VGJ - TYR AMP n/a n/a
50% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2CYB - TYR C9 H11 N O3 c1cc(ccc1C....
2 4NX2 - 2LT C9 H9 Cl2 N O3 c1c(cc(c(c....
3 3QE4 - 4CF C10 H10 N2 O2 c1cc(ccc1C....
4 4NDA - NIY C9 H10 N2 O5 c1cc(c(cc1....
5 3D6V - TFQ C11 H12 F3 N O2 c1cc(ccc1C....
6 2AG6 - 4BF C9 H10 Br N O2 c1cc(ccc1C....
7 3D6U - T11 C11 H12 F3 N3 O2 c1cc(ccc1C....
8 4PBT - 2LQ C18 H24 N2 O3 c1cc(ccc1C....
9 5N5U - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 2HGZ - PBF C16 H15 N O3 c1ccc(cc1)....
11 4PBR - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
12 5L7P - BUU C16 H16 N2 O6 c1ccc(c(c1....
13 2PXH - BP5 C13 H13 N3 O2 c1ccnc(c1)....
14 5NSF - 96Z C13 H15 N O2 C1C=CC2=CC....
15 3N2Y - TEF C10 H11 N5 O2 c1cc(ccc1C....
16 6WRN - NIY C9 H10 N2 O5 c1cc(c(cc1....
17 1ZH6 - 4AF C11 H13 N O3 CC(=O)c1cc....
18 4PBS - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
19 6WRK - NIY C9 H10 N2 O5 c1cc(c(cc1....
20 1ZH0 - NAL C13 H13 N O2 c1ccc2cc(c....
21 6WRQ - NIY C9 H10 N2 O5 c1cc(c(cc1....
22 6WRT - NIY C9 H10 N2 O5 c1cc(c(cc1....
23 2CYC - TYR C9 H11 N O3 c1cc(ccc1C....
24 1Q11 - TYE C9 H13 N O2 c1cc(ccc1C....
25 5THH - TYR C9 H11 N O3 c1cc(ccc1C....
26 3VGJ - TYR AMP n/a n/a
27 2J5B - TYE C9 H13 N O2 c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TYR AMP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR AMP 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TYR AMP; Similar ligands found: 14
No: Ligand Similarity coefficient
1 YSA 0.9711
2 ARG AMP 0.9540
3 Y3U 0.9340
4 TYM 0.9225
5 RRB 0.9170
6 YSU 0.9097
7 YSC 0.9093
8 4UU 0.8784
9 MSP 0.8744
10 4UV 0.8713
11 MOD 0.8665
12 ATP 0.8561
13 ME8 0.8540
14 FA5 0.8532
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VGJ; Ligand: TYR AMP; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3vgj.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 6M0E BDF 1.87668
Pocket No.: 2; Query (leader) PDB : 3VGJ; Ligand: TYR AMP; 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: 3vgj.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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