Receptor
PDB id Resolution Class Description Source Keywords
3T4T 1.7 Å EC: 2.7.13.3 ARABIDOPSIS HISTIDINE KINASE 4 SENSOR DOMAIN IN COMPLEX WITH THIADIAZURON ARABIDOPSIS THALIANA SENSOR HISTIDINE KINASE PAS DOMAIN HORMONE RECEPTOR ENDOPRETICULUM
Ref.: STRUCTURAL BASIS FOR CYTOKININ RECOGNITION BY ARABI THALIANA HISTIDINE KINASE 4. NAT.CHEM.BIOL. V. 7 766 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI B:1;
Invalid;
none;
submit data
102.046 C3 H2 O4 C(C(=...
WA1 A:400;
B:400;
Valid;
Valid;
none;
none;
submit data
220.251 C9 H8 N4 O S c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3T4L 1.53 Å EC: 2.7.13.3 ARABIDOPSIS HISTIDINE KINASE 4 SENSOR DOMAIN IN COMPLEX WITH ZEATIN ARABIDOPSIS THALIANA SENSOR HISTIDINE KINASE PAS DOMAIN HORMONE RECEPTOR ENDOPRETICULUM
Ref.: STRUCTURAL BASIS FOR CYTOKININ RECOGNITION BY ARABI THALIANA HISTIDINE KINASE 4. NAT.CHEM.BIOL. V. 7 766 2011
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3T4L - ZEA C10 H13 N5 O C/C(=CCNc1....
2 3T4O - WA2 C10 H15 N5 O C[C@H](CCN....
3 3T4T - WA1 C9 H8 N4 O S c1ccc(cc1)....
4 3T4J - ZIP C10 H13 N5 CC(=CCNc1c....
5 3T4K - EMU C12 H11 N5 c1ccc(cc1)....
6 3T4S - H35 C10 H9 N5 O c1cc(oc1)C....
7 3T4Q - ZEA C10 H13 N5 O C/C(=CCNc1....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3T4L - ZEA C10 H13 N5 O C/C(=CCNc1....
2 3T4O - WA2 C10 H15 N5 O C[C@H](CCN....
3 3T4T - WA1 C9 H8 N4 O S c1ccc(cc1)....
4 3T4J - ZIP C10 H13 N5 CC(=CCNc1c....
5 3T4K - EMU C12 H11 N5 c1ccc(cc1)....
6 3T4S - H35 C10 H9 N5 O c1cc(oc1)C....
7 3T4Q - ZEA C10 H13 N5 O C/C(=CCNc1....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 3T4L - ZEA C10 H13 N5 O C/C(=CCNc1....
2 3T4O - WA2 C10 H15 N5 O C[C@H](CCN....
3 3T4T - WA1 C9 H8 N4 O S c1ccc(cc1)....
4 3T4J - ZIP C10 H13 N5 CC(=CCNc1c....
5 3T4K - EMU C12 H11 N5 c1ccc(cc1)....
6 3T4S - H35 C10 H9 N5 O c1cc(oc1)C....
7 3T4Q - ZEA C10 H13 N5 O C/C(=CCNc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: WA1; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 WA1 1 1
2 FDZ 0.507937 0.785714
3 EDZ 0.460317 0.758621
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3T4L; Ligand: ZEA; 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: 3t4l.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3T4L; Ligand: ZEA; 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: 3t4l.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback