Receptor
PDB id Resolution Class Description Source Keywords
3IQU 1.05 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF HUMAN 14-3-3 SIGMA IN COMPLEX WITH RAF1 (6MER) HOMO SAPIENS SIGNAL TRANSUCTION NUCLEUS PHOSPHOPROTEIN SECRETED PROTEBINDING SIGNALING PROTEIN
Ref.: IMPAIRED BINDING OF 14-3-3 TO C-RAF IN NOONAN SYNDR SUGGESTS NEW APPROACHES IN DISEASES WITH INCREASED SIGNALING. MOL.CELL.BIOL. V. 30 4698 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:232;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GLN ARG SER THR SEP THR P:255;
Valid;
none;
submit data n/a n/a n/a n/a
MG A:233;
A:234;
A:235;
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
4FR3 1.9 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF HUMAN 14-3-3 SIGMA IN COMPLEX WITH TASK AND STABILIZER 16-O-ME-FC-H HOMO SAPIENS NUCLEUS PEPTIDE BINDING PROTEIN-TOXIN COMPLEX
Ref.: A SEMISYNTHETIC FUSICOCCANE STABILIZES A PROTEIN-PR INTERACTION AND ENHANCES THE EXPRESSION OF K(+) CHA THE CELL SURFACE. CHEM.BIOL. V. 20 583 2013
Members (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 6FI5 Kd = 3 uM THR PRO SEP LEU PRO DAL 60H n/a n/a
2 5BTV Kd = 6.5 uM GLY SEP LEU GLY n/a n/a
3 4Y32 ic50 = 90.1 uM ARG THR PRO SEP LEU PRO THR 49F n/a n/a
4 4Y5I ic50 = 301.3 uM ACE ARG THR PRO SEP LEU PRO THR PIP n/a n/a
5 6FBB - SER ARG SEP SER PRO n/a n/a
6 5N5W - 8OE C11 H8 Cl2 N2 O c1cc(ccc1N....
7 6FBY Kd = 9.3 uM ACE ARG THR PRO SEP LEU PRO GLY D4H n/a n/a
8 4DHS - Y03 C14 H12 Cl2 N O5 P c1ccc(c(c1....
9 6GHP - ACE LYS ARG ARG LYS SEP VAL n/a n/a
10 4DHO - Y09 C15 H16 N O6 P COc1cccc(c....
11 3IQV Kd = 6.6 uM FSC C36 H56 O12 C[C@@H]1[C....
12 4IEA Kd = 346 nM ARG SER ALA SEP GLU PRO SER LEU n/a n/a
13 6FAW Kd = 2.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3K n/a n/a
14 5N75 - ARG SER HIS SEP SER PRO ALA SER LEU GLN n/a n/a
15 4DHN - 0KC C13 H18 N O5 P c1ccc(c(c1....
16 3MHR - ARG ALA HIS SEP SER PRO ALA SER LEU GLN n/a n/a
17 4DHP - Y07 C15 H12 Cl F3 N O5 P c1ccc(c(c1....
18 3LW1 Kd = 16.3 uM PHE LYS TPO GLU GLY PRO ASP SER ASP n/a n/a
19 3SP5 Kd = 0.56 uM LYS ARG ARG LYS SEP VAL n/a n/a
20 4DHU - 0KH C14 H12 Cl2 N O5 P c1ccc(c(c1....
21 3O8I - M1T C7 H14 O4 COCC(=O)CC....
22 5OEH - 9SZ C42 H32 O8 P2 c1ccc2c(c1....
23 4DHT - 0KG C14 H20 N O5 P c1ccc(c(c1....
24 5LU1 - ARG ARG ALA SEP ALA PRO LEU PRO n/a n/a
25 3IQJ Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
26 4FR3 Kd = 0.07 uM 0V4 C27 H44 O8 C[C@@H]1[C....
27 5HF3 Kd = 13.4 uM ACE ARG THR PRO SEP LEU PRO THR 60H n/a n/a
28 5N5R - NV1 C13 H20 N2 O Cc1cccc(c1....
29 4DHM - 0KB C15 H13 F3 N O5 P c1ccc(c(c1....
30 4DAT - SER SER PHE TYR PRO SEP ALA GLU GLY n/a n/a
31 6FI4 Kd = 2.2 uM PRO SEP LEU PRO DVA 60H n/a n/a
32 3IQU - GLN ARG SER THR SEP THR n/a n/a
33 4DHQ - Y06 C14 H13 Cl N O5 P c1ccc(c(c1....
34 4DHR - Y04 C14 H13 Cl N O5 P c1ccc(c(c1....
35 4Y3B ic50 = 90.1 uM 49F C7 H15 N O COCC[C@@H]....
36 5N5T - SER HIS SEP SER PRO ALA SER LEU n/a n/a
37 6FBW Kd = 16.5 uM ARG THR PRO SEP LEU PRO GLY D4K n/a n/a
38 6FAV Kd = 4.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3Q n/a n/a
39 5MXO - FSC C36 H56 O12 C[C@@H]1[C....
40 6FAU Kd = 2.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3W n/a n/a
70% Homology Family (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 6FI5 Kd = 3 uM THR PRO SEP LEU PRO DAL 60H n/a n/a
2 5BTV Kd = 6.5 uM GLY SEP LEU GLY n/a n/a
3 4Y32 ic50 = 90.1 uM ARG THR PRO SEP LEU PRO THR 49F n/a n/a
4 4Y5I ic50 = 301.3 uM ACE ARG THR PRO SEP LEU PRO THR PIP n/a n/a
5 6FBB - SER ARG SEP SER PRO n/a n/a
6 5N5W - 8OE C11 H8 Cl2 N2 O c1cc(ccc1N....
7 6FBY Kd = 9.3 uM ACE ARG THR PRO SEP LEU PRO GLY D4H n/a n/a
8 4DHS - Y03 C14 H12 Cl2 N O5 P c1ccc(c(c1....
9 6GHP - ACE LYS ARG ARG LYS SEP VAL n/a n/a
10 4DHO - Y09 C15 H16 N O6 P COc1cccc(c....
11 3IQV Kd = 6.6 uM FSC C36 H56 O12 C[C@@H]1[C....
12 4IEA Kd = 346 nM ARG SER ALA SEP GLU PRO SER LEU n/a n/a
13 6FAW Kd = 2.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3K n/a n/a
14 5N75 - ARG SER HIS SEP SER PRO ALA SER LEU GLN n/a n/a
15 4DHN - 0KC C13 H18 N O5 P c1ccc(c(c1....
16 3MHR - ARG ALA HIS SEP SER PRO ALA SER LEU GLN n/a n/a
17 4DHP - Y07 C15 H12 Cl F3 N O5 P c1ccc(c(c1....
18 3LW1 Kd = 16.3 uM PHE LYS TPO GLU GLY PRO ASP SER ASP n/a n/a
19 3SP5 Kd = 0.56 uM LYS ARG ARG LYS SEP VAL n/a n/a
20 4DHU - 0KH C14 H12 Cl2 N O5 P c1ccc(c(c1....
21 3O8I - M1T C7 H14 O4 COCC(=O)CC....
22 5OEH - 9SZ C42 H32 O8 P2 c1ccc2c(c1....
23 4DHT - 0KG C14 H20 N O5 P c1ccc(c(c1....
24 5LU1 - ARG ARG ALA SEP ALA PRO LEU PRO n/a n/a
25 3IQJ Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
26 4FR3 Kd = 0.07 uM 0V4 C27 H44 O8 C[C@@H]1[C....
27 5HF3 Kd = 13.4 uM ACE ARG THR PRO SEP LEU PRO THR 60H n/a n/a
28 5N5R - NV1 C13 H20 N2 O Cc1cccc(c1....
29 4DHM - 0KB C15 H13 F3 N O5 P c1ccc(c(c1....
30 4DAT - SER SER PHE TYR PRO SEP ALA GLU GLY n/a n/a
31 6FI4 Kd = 2.2 uM PRO SEP LEU PRO DVA 60H n/a n/a
32 3IQU - GLN ARG SER THR SEP THR n/a n/a
33 4DHQ - Y06 C14 H13 Cl N O5 P c1ccc(c(c1....
34 4DHR - Y04 C14 H13 Cl N O5 P c1ccc(c(c1....
35 4Y3B ic50 = 90.1 uM 49F C7 H15 N O COCC[C@@H]....
36 5N5T - SER HIS SEP SER PRO ALA SER LEU n/a n/a
37 6FBW Kd = 16.5 uM ARG THR PRO SEP LEU PRO GLY D4K n/a n/a
38 6FAV Kd = 4.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3Q n/a n/a
39 5MXO - FSC C36 H56 O12 C[C@@H]1[C....
40 6FAU Kd = 2.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3W n/a n/a
41 1QJB Ki = 416 nM ALA ARG SER HIS SEP TYR PRO ALA n/a n/a
42 6FNA - DWE C50 H66 N6 O20 P2 c1ccc(c(c1....
43 4N84 Kd = 41 nM GLY MKD LEU ASP MKD LEU ASP LEU ALA SER n/a n/a
44 1QJA Ki = 416 nM ARG LEU TYR HIS SEP LEU PRO ALA n/a n/a
45 6FNC - DWK C40 H48 N4 O15 P2 c1ccc(c(c1....
46 6FN9 ic50 = 284 uM DW8 C27 H38 N3 O10 P CCCNC(=O)C....
47 2C1N - ALA ARG LYS SEP THR GLY GLY LYS n/a n/a
48 2V7D Kd = 261 nM LYS SER ALA TPO THR THR VAL MET ASN PRO n/a n/a
49 6FNB - DWQ C59 H84 N6 O22 P2 c1ccc(c(c1....
50 3NKX Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
51 2BR9 - ARG ARG GLN ARG SEP ALA PRO n/a n/a
52 2C63 - ARG ALA ILE SEP LEU PRO n/a n/a
53 5NWI Kd = 0.69 uM TYR PHE SER SEP ASN n/a n/a
54 1O9D Kd = 2.5 uM GLN SER TYR TPO VAL n/a n/a
55 5NWJ - HIS LEU TYR PHE SER SEP ASN n/a n/a
56 3E6Y Kd = 2.5 uM CW1 C34 H52 O12 C[C@@H]1[C....
50% Homology Family (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 6FI5 Kd = 3 uM THR PRO SEP LEU PRO DAL 60H n/a n/a
2 5BTV Kd = 6.5 uM GLY SEP LEU GLY n/a n/a
3 4Y32 ic50 = 90.1 uM ARG THR PRO SEP LEU PRO THR 49F n/a n/a
4 4Y5I ic50 = 301.3 uM ACE ARG THR PRO SEP LEU PRO THR PIP n/a n/a
5 6FBB - SER ARG SEP SER PRO n/a n/a
6 5N5W - 8OE C11 H8 Cl2 N2 O c1cc(ccc1N....
7 6FBY Kd = 9.3 uM ACE ARG THR PRO SEP LEU PRO GLY D4H n/a n/a
8 4DHS - Y03 C14 H12 Cl2 N O5 P c1ccc(c(c1....
9 6GHP - ACE LYS ARG ARG LYS SEP VAL n/a n/a
10 4DHO - Y09 C15 H16 N O6 P COc1cccc(c....
11 3IQV Kd = 6.6 uM FSC C36 H56 O12 C[C@@H]1[C....
12 4IEA Kd = 346 nM ARG SER ALA SEP GLU PRO SER LEU n/a n/a
13 6FAW Kd = 2.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3K n/a n/a
14 5N75 - ARG SER HIS SEP SER PRO ALA SER LEU GLN n/a n/a
15 4DHN - 0KC C13 H18 N O5 P c1ccc(c(c1....
16 3MHR - ARG ALA HIS SEP SER PRO ALA SER LEU GLN n/a n/a
17 4DHP - Y07 C15 H12 Cl F3 N O5 P c1ccc(c(c1....
18 3LW1 Kd = 16.3 uM PHE LYS TPO GLU GLY PRO ASP SER ASP n/a n/a
19 3SP5 Kd = 0.56 uM LYS ARG ARG LYS SEP VAL n/a n/a
20 4DHU - 0KH C14 H12 Cl2 N O5 P c1ccc(c(c1....
21 3O8I - M1T C7 H14 O4 COCC(=O)CC....
22 5OEH - 9SZ C42 H32 O8 P2 c1ccc2c(c1....
23 4DHT - 0KG C14 H20 N O5 P c1ccc(c(c1....
24 5LU1 - ARG ARG ALA SEP ALA PRO LEU PRO n/a n/a
25 3IQJ Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
26 4FR3 Kd = 0.07 uM 0V4 C27 H44 O8 C[C@@H]1[C....
27 5HF3 Kd = 13.4 uM ACE ARG THR PRO SEP LEU PRO THR 60H n/a n/a
28 5N5R - NV1 C13 H20 N2 O Cc1cccc(c1....
29 4DHM - 0KB C15 H13 F3 N O5 P c1ccc(c(c1....
30 4DAT - SER SER PHE TYR PRO SEP ALA GLU GLY n/a n/a
31 6FI4 Kd = 2.2 uM PRO SEP LEU PRO DVA 60H n/a n/a
32 3IQU - GLN ARG SER THR SEP THR n/a n/a
33 4DHQ - Y06 C14 H13 Cl N O5 P c1ccc(c(c1....
34 4DHR - Y04 C14 H13 Cl N O5 P c1ccc(c(c1....
35 4Y3B ic50 = 90.1 uM 49F C7 H15 N O COCC[C@@H]....
36 5N5T - SER HIS SEP SER PRO ALA SER LEU n/a n/a
37 6FBW Kd = 16.5 uM ARG THR PRO SEP LEU PRO GLY D4K n/a n/a
38 6FAV Kd = 4.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3Q n/a n/a
39 5MXO - FSC C36 H56 O12 C[C@@H]1[C....
40 6FAU Kd = 2.7 uM ACE ARG THR PRO SEP LEU PRO GLY D3W n/a n/a
41 1QJB Ki = 416 nM ALA ARG SER HIS SEP TYR PRO ALA n/a n/a
42 6FNA - DWE C50 H66 N6 O20 P2 c1ccc(c(c1....
43 4N84 Kd = 41 nM GLY MKD LEU ASP MKD LEU ASP LEU ALA SER n/a n/a
44 1QJA Ki = 416 nM ARG LEU TYR HIS SEP LEU PRO ALA n/a n/a
45 6FNC - DWK C40 H48 N4 O15 P2 c1ccc(c(c1....
46 6FN9 ic50 = 284 uM DW8 C27 H38 N3 O10 P CCCNC(=O)C....
47 2C1N - ALA ARG LYS SEP THR GLY GLY LYS n/a n/a
48 2V7D Kd = 261 nM LYS SER ALA TPO THR THR VAL MET ASN PRO n/a n/a
49 6FNB - DWQ C59 H84 N6 O22 P2 c1ccc(c(c1....
50 3NKX Kd = 7.5 uM GLN ARG SER THR SEP THR PRO ASN VAL HIS n/a n/a
51 2BR9 - ARG ARG GLN ARG SEP ALA PRO n/a n/a
52 2C63 - ARG ALA ILE SEP LEU PRO n/a n/a
53 5NWI Kd = 0.69 uM TYR PHE SER SEP ASN n/a n/a
54 1O9D Kd = 2.5 uM GLN SER TYR TPO VAL n/a n/a
55 5NWJ - HIS LEU TYR PHE SER SEP ASN n/a n/a
56 3E6Y Kd = 2.5 uM CW1 C34 H52 O12 C[C@@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLN ARG SER THR SEP THR; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4FR3; Ligand: LYS ARG ARG LYS SEP VAL; 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: 4fr3.bio1) has 84 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4FR3; Ligand: 0V4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4fr3.bio1) has 84 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4FR3; Ligand: 0V4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4fr3.bio1) has 84 residues
No: Leader PDB Ligand Sequence Similarity
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