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 107 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 82 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 55 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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4ihl.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4IHL; Ligand: 1F5; Similar sites found: 12
This union binding pocket(no: 2) in the query (biounit: 4ihl.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DB1 VDX 0.01974 0.41448 1.70213
2 4ZOM 4Q3 0.0429 0.40211 1.77778
3 3KDU NKS 0.01268 0.43797 4.68085
4 3KFC 61X 0.01358 0.42039 5.10638
5 4WGF HX2 0.01647 0.4048 6.82927
6 3KMZ EQO 0.02151 0.40645 7.23404
7 3O55 FAD 0.02476 0.40202 8
8 2HHP FLC 0.04607 0.40876 8.93617
9 3TDC 0EU 0.00282 0.48504 11.1111
10 2VL8 CTS 0.01449 0.40407 11.1111
11 2VL8 UDP 0.01891 0.4002 11.1111
12 2Q4X HMH 0.01697 0.40515 25
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