Receptor
PDB id Resolution Class Description Source Keywords
4q0k 1.34 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF PHYTOHORMONE BINDING PROTEIN FROM MEDIC TRUNCATULA IN COMPLEX WITH GIBBERELLIC ACID (GA3) MEDICAGO TRUNCATULA CYTOKININ-SPECIFIC BINDING PROTEIN (CSBP) PR-10 FOLD PLANTBINDING GIBBERELLIN HORMONE BINDING PROTEIN
Ref.: SPECIFIC BINDING OF GIBBERELLIC ACID BY CYTOKININ-S BINDING PROTEINS: A NEW ASPECT OF PLANT HORMONE-BIN PROTEINS WITH THE PR-10 FOLD. ACTA CRYSTALLOGR.,SECT.D V. 70 2032 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GA3 A:201;
 Valid;
 none;
 Kd = 13.4 uM
346.374 C19 H22 O6 C[C@@...
GOL A:205;
A:202;
A:206;
A:204;
A:203;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Q0K 1.34 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF PHYTOHORMONE BINDING PROTEIN FROM MEDIC TRUNCATULA IN COMPLEX WITH GIBBERELLIC ACID (GA3) MEDICAGO TRUNCATULA CYTOKININ-SPECIFIC BINDING PROTEIN (CSBP) PR-10 FOLD PLANTBINDING GIBBERELLIN HORMONE BINDING PROTEIN
Ref.: SPECIFIC BINDING OF GIBBERELLIC ACID BY CYTOKININ-S BINDING PROTEINS: A NEW ASPECT OF PLANT HORMONE-BIN PROTEINS WITH THE PR-10 FOLD. ACTA CRYSTALLOGR.,SECT.D V. 70 2032 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 4Q0K Kd = 13.4 uM GA3 C19 H22 O6 C[C@@]12[C....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 3C0V - ZEA C10 H13 N5 O C/C(=CCNc1....
2 2FLH Kd = 106 uM ZEA C10 H13 N5 O C/C(=CCNc1....
3 4PSB Kd = 23 uM GA3 C19 H22 O6 C[C@@]12[C....
4 4Q0K Kd = 13.4 uM GA3 C19 H22 O6 C[C@@]12[C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 3C0V - ZEA C10 H13 N5 O C/C(=CCNc1....
2 2FLH Kd = 106 uM ZEA C10 H13 N5 O C/C(=CCNc1....
3 4PSB Kd = 23 uM GA3 C19 H22 O6 C[C@@]12[C....
4 4Q0K Kd = 13.4 uM GA3 C19 H22 O6 C[C@@]12[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GA3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GA3 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: GA3; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GA4 0.9862
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4Q0K; Ligand: GA3; 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: 4q0k.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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