Receptor
PDB id Resolution Class Description Source Keywords
1Q11 1.6 Å EC: 6.1.1.1 CRYSTAL STRUCTURE OF AN ACTIVE FRAGMENT OF HUMAN TYROSYL-TRN SYNTHETASE WITH TYROSINOL HOMO SAPIENS ROSSMANN FOLD DOMAIN CONTAINING THE ACTIVE SITE ANTICODON RECOGNITION DOMAIN SUBSTRATE ANALOG TYROSINOL CO-CRYSTALIZLIGASE
Ref.: CRYSTAL STRUCTURES THAT SUGGEST LATE DEVELOPMENT OF CODE COMPONENTS FOR DIFFERENTIATING AROMATIC SIDE C PROC.NATL.ACAD.SCI.USA V. 100 15376 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:601;
A:602;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
K A:701;
Part of Protein;
none;
submit data
39.098 K [K+]
PO4 A:501;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
TYE A:401;
Valid;
none;
submit data
167.205 C9 H13 N O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Q11 1.6 Å EC: 6.1.1.1 CRYSTAL STRUCTURE OF AN ACTIVE FRAGMENT OF HUMAN TYROSYL-TRN SYNTHETASE WITH TYROSINOL HOMO SAPIENS ROSSMANN FOLD DOMAIN CONTAINING THE ACTIVE SITE ANTICODON RECOGNITION DOMAIN SUBSTRATE ANALOG TYROSINOL CO-CRYSTALIZLIGASE
Ref.: CRYSTAL STRUCTURES THAT SUGGEST LATE DEVELOPMENT OF CODE COMPONENTS FOR DIFFERENTIATING AROMATIC SIDE C PROC.NATL.ACAD.SCI.USA V. 100 15376 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1Q11 - TYE C9 H13 N O2 c1cc(ccc1C....
2 5THH - TYR C9 H11 N O3 c1cc(ccc1C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1Q11 - TYE C9 H13 N O2 c1cc(ccc1C....
2 5THH - TYR C9 H11 N O3 c1cc(ccc1C....
50% Homology Family (22)
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 3N2Y - TEF C10 H11 N5 O2 c1cc(ccc1C....
15 1ZH6 - 4AF C11 H13 N O3 CC(=O)c1cc....
16 4PBS - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
17 1ZH0 - NAL C13 H13 N O2 c1ccc2cc(c....
18 2CYC - TYR C9 H11 N O3 c1cc(ccc1C....
19 1Q11 - TYE C9 H13 N O2 c1cc(ccc1C....
20 5THH - TYR C9 H11 N O3 c1cc(ccc1C....
21 3VGJ - YAP C19 H23 N6 O9 P c1cc(ccc1C....
22 2J5B - TYE C9 H13 N O2 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TYE; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 TYE 1 1
2 AEG 0.558824 0.689655
3 TYC 0.487179 0.727273
4 DTY 0.475 0.8
5 TYR 0.475 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Q11; Ligand: TYE; 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: 1q11.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1Q11; Ligand: TYE; 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: 1q11.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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