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Receptor
PDB id Resolution Class Description Source Keywords
4IHL 2.2 Å EC: 2.7.11.1 HUMAN 14-3-3 ISOFORM ZETA IN COMPLEX WITH A DIPHOYPHORYLATED PEPTIDE AND COTYLENIN A HOMO SAPIENS 14-3-3 FOLD RAF ALL ALPHA-HELICAL ADAPTER PROTEIN PROTEIINTERACTION PEPTIDE BINDING PROTEIN
Ref.: STABILIZATION OF PHYSICAL RAF/14-3-3 INTERACTION BY COTYLENIN A AS TREATMENT STRATEGY FOR RAS MUTANT CA ACS CHEM.BIOL. V. 8 1869 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K A:301;
B:301;
Invalid;
Invalid;
none;
none;
submit data
39.098 K [K+]
1F5 B:302;
A:302;
Valid;
Valid;
none;
none;
submit data
622.743 C33 H50 O11 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IHL 2.2 Å EC: 2.7.11.1 HUMAN 14-3-3 ISOFORM ZETA IN COMPLEX WITH A DIPHOYPHORYLATED PEPTIDE AND COTYLENIN A HOMO SAPIENS 14-3-3 FOLD RAF ALL ALPHA-HELICAL ADAPTER PROTEIN PROTEIINTERACTION PEPTIDE BINDING PROTEIN
Ref.: STABILIZATION OF PHYSICAL RAF/14-3-3 INTERACTION BY COTYLENIN A AS TREATMENT STRATEGY FOR RAS MUTANT CA ACS CHEM.BIOL. V. 8 1869 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 4IHL - 1F5 C33 H50 O11 C[C@@H]1[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 4IHL - 1F5 C33 H50 O11 C[C@@H]1[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 4IHL - 1F5 C33 H50 O11 C[C@@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1F5; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 1F5 1 1
2 CW1 0.707692 0.931035
3 CX7 0.465517 0.758621
4 0V4 0.40146 0.816667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IHL; Ligand: 1F5; Similar sites found with APoc: 46
This union binding pocket(no: 1) in the query (biounit: 4ihl.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6F68 4EU None
2 5WSY 7UC None
3 1DB1 VDX 1.70213
4 5AAV GW5 2.12766
5 3VRV YSD 2.12766
6 4F4P 0SB 2.12766
7 2BHW NEX 2.58621
8 5IDM ANP 3.35196
9 1JQ9 PHE LEU SER TYR LYS 4.13223
10 4QYS PLP SEP 4.68085
11 3FEI CTM 4.68085
12 2P54 735 4.68085
13 3KFC 61X 5.10638
14 2YI0 YI0 5.24017
15 2QE0 NAP 5.53191
16 5LGA 6VH 5.53191
17 4M73 M72 5.55556
18 4M73 SAH 5.55556
19 4I3V NAD 5.95745
20 5DLY 5D7 5.95745
21 1XVB BHL 6.38298
22 5NKB 8ZT 6.80851
23 6CB2 OLC 6.82594
24 4XCP PLM 7.05882
25 3KMZ EQO 7.23404
26 1NHZ 486 7.65957
27 2YN4 39J 9.3617
28 5BRE 4UZ 9.78723
29 5ITZ GDP 11.0638
30 3TDC 0EU 11.1111
31 2VL8 UDP 11.1111
32 2VL8 CTS 11.1111
33 3G9E RO7 11.4894
34 3RYC GDP 11.8881
35 5EIB GTP 13.0435
36 1DTL BEP 13.8889
37 5LYH 7B8 13.8889
38 2AQX ATP 13.8889
39 6EOM ALA LYS 13.8889
40 6GMN F4E 13.8889
41 3GDN MXN 13.8889
42 4EXO PYR 16.6667
43 3ZGE ASP 16.6667
44 5I8F ML1 22.2222
45 6ADI 9UO 22.2222
46 2F2G HMH 25
Pocket No.: 2; Query (leader) PDB : 4IHL; Ligand: 1F5; Similar sites found with APoc: 21
This union binding pocket(no: 2) in the query (biounit: 4ihl.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4C01 QY9 None
2 5NTW 98N 1.70213
3 5NI5 8YB 1.70213
4 5MWY YNU 2.55319
5 3KDU NKS 4.68085
6 4V1F BQ1 4.68085
7 3D9F FAD 4.68085
8 1K7L 544 4.68085
9 4G86 BNT 5.10638
10 4LY9 1YY 5.53191
11 5DLY SAH 5.95745
12 4WGF HX2 6.82927
13 3O55 FAD 8
14 3DST GRG 8.08511
15 2HHP FLC 8.93617
16 5TWO 7MV 11.4894
17 5LXT GTP 11.8881
18 5ZQ4 AMP 19.4444
19 5LX9 OLB 22.2222
20 2Q4X HMH 25
21 1FX8 BOG 30.5556
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