Receptor
PDB id Resolution Class Description Source Keywords
4Z5W 2.2 Å NON-ENZYME: SIGNAL_HORMONE THE PLANT PEPTIDE HORMONE RECEPTOR DAUCUS CAROTA RECEPTOR HORMONE
Ref.: ALLOSTERIC RECEPTOR ACTIVATION BY THE PLANT PEPTIDE PHYTOSULFOKINE NATURE V. 525 265 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG B:704;
A:703;
B:707;
B:708;
B:706;
A:702;
B:705;
B:703;
A:701;
A:705;
A:704;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
TYS ILE TYS THR GLN Q:28;
P:28;
Valid;
Valid;
none;
none;
Kd = 4.2 nM
844.873 n/a [S+2]...
NAG NAG B:701;
Invalid;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Z5W 2.2 Å NON-ENZYME: SIGNAL_HORMONE THE PLANT PEPTIDE HORMONE RECEPTOR DAUCUS CAROTA RECEPTOR HORMONE
Ref.: ALLOSTERIC RECEPTOR ACTIVATION BY THE PLANT PEPTIDE PHYTOSULFOKINE NATURE V. 525 265 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 4Z5W Kd = 4.2 nM TYS ILE TYS THR GLN n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 4Z5W Kd = 4.2 nM TYS ILE TYS THR GLN n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 4Z5W Kd = 4.2 nM TYS ILE TYS THR GLN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TYS ILE TYS THR GLN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 TYS ILE TYS THR GLN 1 1
2 TYR ASP GLN ILE LEU 0.473214 0.6875
3 LEU ALA ILE TYR SER 0.46789 0.61194
4 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.465517 0.6875
5 ALA ILE PHE GLN SER SER MET THR LYS 0.464567 0.616438
6 SER LEU TYR ASN THR ILE ALA THR LEU 0.45082 0.676471
7 LYS VAL ILE THR PHE ILE ASP LEU 0.435484 0.632353
8 SER PTR VAL ASN VAL GLN ASN 0.433333 0.753623
9 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.424 0.666667
10 CYS THR PHE LYS THR LYS THR ASN 0.422414 0.614286
11 SER LEU PHE ASN THR ILE ALA VAL LEU 0.414062 0.632353
12 THR PHE LYS LYS THR ASN 0.412281 0.608696
13 PHE LEU THR GLY ILE GLY ILE ILE THR VAL 0.409836 0.626866
14 PHE ASN PHE PRO GLN ILE THR 0.406015 0.602564
15 MET ASN TYR ASP ILE 0.401961 0.650794
16 ILE ASN PHE ASP PHE ASN THR ILE 0.401709 0.71875
17 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.4 0.676923
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4Z5W; Ligand: TYS ILE TYS THR GLN; Similar sites found: 28
This union binding pocket(no: 1) in the query (biounit: 4z5w.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JL0 PUT 0.008376 0.42974 1.49701
2 4C2C ALA ALA ALA 0.003618 0.45794 2.01794
3 4JAW NGT GAL 0.01111 0.41157 2.02492
4 5MRH Q9Z 0.01027 0.4255 2.18069
5 1HSR BHO 0.02155 0.41913 2.32558
6 4DS0 A2G GAL NAG FUC 0.0173 0.41569 3.06748
7 3G2Y GF4 0.02518 0.40375 3.42205
8 2F2G HMH 0.02185 0.40784 3.61991
9 3WVR AMP 0.01252 0.40912 4.02685
10 3ZGJ RMN 0.01795 0.41308 4.04313
11 5FPN KYD 0.0316 0.41646 4.0625
12 2AKO ADP 0.01629 0.40022 4.38247
13 5F7U GLC GLC GLC GLC 0.009473 0.42729 4.82866
14 4FBL SPD 0.02503 0.40565 4.98221
15 2BVE PH5 0.01582 0.41485 5.04202
16 5V3D FCN 0.0314 0.40699 5.51724
17 4OFJ HIS 0.02908 0.40229 5.70825
18 1U0J ADP 0.02827 0.40292 6.85358
19 1I0B PEL 0.02075 0.40954 7.22892
20 3HBV ALA LYS ALA SER GLN ALA ALA 0.01898 0.40404 7.35931
21 1T0S BML 0.02529 0.41251 8.03213
22 1NME 159 0.04341 0.41097 8.69565
23 1MAI I3P 0.02361 0.40018 9.16031
24 2RDK MAN MAN 0.03199 0.40414 10.0917
25 4JLS 3ZE 0.01965 0.41617 10.5263
26 2OVR SER LEU ILE PRO TPO PRO ASP LYS 0.03311 0.40119 11.4094
27 3I7V B4P 0.0004631 0.47371 12.6866
28 1I7M PUT 0.004674 0.44515 19.403
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