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 263 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 355 families.
1 3C0V - ZEA C10 H13 N5 O C/C(=CCNc1....
2 2FLH Kd = 148 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 272 families.
1 3C0V - ZEA C10 H13 N5 O C/C(=CCNc1....
2 2FLH Kd = 148 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
Ligand no: 1; Ligand: GA3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GA3 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4Q0K; Ligand: GA3; Similar sites found: 48
This union binding pocket(no: 1) in the query (biounit: 4q0k.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BU1 HSM 0.01016 0.42131 None
2 5AIG VPR 0.007229 0.41252 None
3 3RET PYR 0.007051 0.40472 None
4 3RET SAL 0.007051 0.40472 None
5 3KFF XBT 0.01727 0.40294 None
6 1OGX EQU 0.008393 0.4013 None
7 1YOK P6L 0.03133 0.4005 None
8 3D78 NBB 0.01441 0.40168 2.52101
9 2XEM SSV 0.009184 0.40758 2.66667
10 1T27 PCW 0.01125 0.42851 3.08642
11 1G2N EPH 0.007257 0.4173 3.08642
12 4V24 GYR 0.01769 0.40052 3.7037
13 4BJZ P3A 0.03199 0.42311 4.32099
14 5TVM PUT 0.008399 0.41943 4.32099
15 1ERB ETR 0.01268 0.41026 4.32099
16 1C9H RAP 0.01616 0.4044 4.6729
17 3RI1 3RH 0.01457 0.40596 4.93827
18 4QDC ASD 0.008798 0.40251 4.93827
19 1GQG DCD 0.004539 0.4252 5.55556
20 1HG4 LPP 0.008979 0.41741 5.55556
21 3UU7 2OH 0.01468 0.4065 5.55556
22 3IX1 NFM 0.006269 0.42501 6.17284
23 1ZB6 GST 0.007147 0.42491 6.17284
24 1ZB6 DIN 0.01722 0.4052 6.17284
25 1A0T SUC 0.0158 0.40454 6.17284
26 4C2V YJA 0.02218 0.40117 6.17284
27 5HZX 2GE 0.01294 0.4005 6.17284
28 1OGZ EQU 0.003955 0.41175 6.4
29 5A7V MAN 0.006015 0.42876 6.79012
30 2HZQ STR 0.0168 0.40465 6.79012
31 5EWK P34 0.007335 0.42476 7.40741
32 4CUB GAL NAG 0.008874 0.42286 7.40741
33 1N1G BCP 0.01921 0.41104 7.40741
34 1I06 TZL 0.01723 0.40299 9.87654
35 2Z6C FMN 0.002914 0.40321 10.0775
36 4CS4 AXZ 0.02505 0.41273 10.4938
37 3Q8G PEE 0.04853 0.40394 10.4938
38 1GUI BGC BGC BGC BGC BGC BGC 0.0177 0.40241 11.6129
39 1EPB REA 0.004743 0.4067 11.7284
40 3ET3 ET1 0.01081 0.40416 11.7284
41 5D6T NGA 0.005567 0.40722 16.6667
42 4MA6 28E 0.00004635 0.47244 17.8344
43 5JNN 6LM 0.01178 0.40739 17.9012
44 3KDJ A8S 0.003584 0.40114 19.3069
45 3JRS A8S 0.009679 0.40063 21.6049
46 4REI 3MV 0.003165 0.44173 23.1788
47 2YKL NLD 0.005015 0.4156 25.3086
48 5I8F ML1 0.002745 0.4122 30.2469
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