Receptor
PDB id Resolution Class Description Source Keywords
4YNL 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE HOOD DOMAIN OF ANABAENA HETR IN COM THE HEXAPEPTIDE ERGSGR DERIVED FROM PATS NOSTOC SP. PCC 7120 HETEROCYST DIFFERENTIATION TRANSCRIPTION FACTOR TRANSCRIPT
Ref.: STRUCTURAL INSIGHTS INTO HETR-PATS INTERACTION INVO CYANOBACTERIAL PATTERN FORMATION SCI REP V. 5 16470 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU ARG GLY SER GLY ARG D:1;
C:1;
R:1;
P:1;
 Valid;
Valid;
Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.022;
Atoms found LESS than expected: % Diff = 0.022;
Atoms found LESS than expected: % Diff = 0.022;
Atoms found LESS than expected: % Diff = 0.022;
 Kd = 24 uM
646.707 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YNL 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE HOOD DOMAIN OF ANABAENA HETR IN COM THE HEXAPEPTIDE ERGSGR DERIVED FROM PATS NOSTOC SP. PCC 7120 HETEROCYST DIFFERENTIATION TRANSCRIPTION FACTOR TRANSCRIPT
Ref.: STRUCTURAL INSIGHTS INTO HETR-PATS INTERACTION INVO CYANOBACTERIAL PATTERN FORMATION SCI REP V. 5 16470 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4YNL Kd = 24 uM GLU ARG GLY SER GLY ARG 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 1331 families.
1 4YNL Kd = 24 uM GLU ARG GLY SER GLY ARG 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 1144 families.
1 4YNL Kd = 24 uM GLU ARG GLY SER GLY ARG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLU ARG GLY SER GLY ARG; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU ARG GLY SER GLY ARG 1 1
2 GLU ALY ARG 0.55914 0.792453
3 GLU ARG GLY MET THR 0.555556 0.77193
4 GLY ARG GLY ASP SER PRO 0.520833 0.938776
5 ARG ARG GLY CYS NH2 0.517241 0.84
6 ARG ARG GLY LEU NH2 0.505618 0.773585
7 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.487603 0.854545
8 ARG ARG GLY MET NH2 0.483871 0.763636
9 ARG GLY ASP 0.477273 0.877551
10 ARG ARG GLY ILE NH2 0.467391 0.773585
11 ARG SER ARG 0.443182 0.938776
12 GLU PRO GLY GLY SER ARG 0.434783 0.786885
13 SAC ARG GLY THR GLN THR GLU 0.417391 0.90566
14 ARG GLY ARG ALA 2MR GLY GLN GLU 0.415929 0.792453
15 GLU THR VAL ARG PHE GLN SER ASP 0.414062 0.821429
16 ALA ARG M3L SER CYS GLY GLY LYS 08P 0.413534 0.720588
17 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.41 0.882353
18 ASP GLN GLY ARG GLY ARG ARG ARG PRO 0.408333 0.737705
19 ARG ARG ALA ALA 0.404255 0.803922
20 ARG GLU ALA ALA 0.402062 0.803922
21 MET ARG THR GLY ASN ALA XSN 0.4 0.654545
Similar Ligands (3D)
Ligand no: 1; Ligand: GLU ARG GLY SER GLY ARG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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