Receptor
PDB id Resolution Class Description Source Keywords
3UJL 2.5 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF ABSCISIC ACID BOUND PYL2 IN COMPLEX WIT PROTEIN PHOSPHATASE ABI2 ARABIDOPSIS THALIANA PYL2 ABSCISIC RECEPTOR ABI2 PROTEIN PHOSPHATASE 2C ABA SSIGNALING PROTEIN
Ref.: MOLECULAR MIMICRY REGULATES ABA SIGNALING BY SNRK2 AND PP2C PHOSPHATASES. SCIENCE V. 335 85 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A8S A:189;
Valid;
none;
submit data
264.317 C15 H20 O4 CC1=C...
MG B:424;
B:425;
B:426;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NMV 2.1 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF PYRABACTIN-BOUND ABSCISIC ACID RECEPTOR MUTANT A93F IN COMPLEX WITH TYPE 2C PROTEIN PHOSPHATASE ABI ARABIDOPSIS THALIANA PYL2 PYRABACTIN ABSCISIC ACID RECEPTOR HELIX-GRIP FOLD TPROTEIN PHOSPHATASE PROTEIN BINDING
Ref.: IDENTIFICATION AND MECHANISM OF ABA RECEPTOR ANTAGO NAT.STRUCT.MOL.BIOL. V. 17 1102 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3UJL - A8S C15 H20 O4 CC1=CC(=O)....
2 3NMV - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 3UJL - A8S C15 H20 O4 CC1=CC(=O)....
2 3NMV - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4LA7 ic50 = 267 nM A1O C20 H24 N2 O3 S CCCN1c2ccc....
2 5VRO - A7S C20 H23 F N2 O3 S CCCN1c2ccc....
3 3KB3 - A8S C15 H20 O4 CC1=CC(=O)....
4 3QN1 - A8S C15 H20 O4 CC1=CC(=O)....
5 3ZVU Kd = 97 uM A8S C15 H20 O4 CC1=CC(=O)....
6 4WVO ic50 = 32 nM 3UZ C23 H22 Cl N O4 COc1cc(ccc....
7 3UJL - A8S C15 H20 O4 CC1=CC(=O)....
8 3NMV - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
9 5MN0 - A8S C15 H20 O4 CC1=CC(=O)....
10 4DS8 - A8S C15 H20 O4 CC1=CC(=O)....
11 3KDJ - A8S C15 H20 O4 CC1=CC(=O)....
12 3JRQ - A8S C15 H20 O4 CC1=CC(=O)....
13 3NMN - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
14 5JO2 - A8S C15 H20 O4 CC1=CC(=O)....
15 5JO1 - 6LM C15 H22 O5 C[C@@H](CC....
16 4OIC Kd = 31.3 uM A8S C15 H20 O4 CC1=CC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A8S; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 A8S 1 1
2 6AS 0.434211 0.725
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NMV; Ligand: PYV; 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: 3nmv.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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