Receptor
PDB id Resolution Class Description Source Keywords
1JOC 2.2 Å NON-ENZYME: IMMUNE EEA1 HOMODIMER OF C-TERMINAL FYVE DOMAIN BOUND TO INOSITOL 1,3-DIPHOSPHATE HOMO SAPIENS FYVE DOMAIN INOSITOL 3-PHOSPHATE BINDING MEMBRANE PROTEIN
Ref.: MULTIVALENT ENDOSOME TARGETING BY HOMODIMERIC EEA1. MOL.CELL V. 8 947 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ITP A:101;
B:102;
Valid;
Valid;
none;
none;
Kd = 24 uM
340.116 C6 H14 O12 P2 C1([C...
ZN A:300;
A:301;
B:302;
B:303;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JOC 2.2 Å NON-ENZYME: IMMUNE EEA1 HOMODIMER OF C-TERMINAL FYVE DOMAIN BOUND TO INOSITOL 1,3-DIPHOSPHATE HOMO SAPIENS FYVE DOMAIN INOSITOL 3-PHOSPHATE BINDING MEMBRANE PROTEIN
Ref.: MULTIVALENT ENDOSOME TARGETING BY HOMODIMERIC EEA1. MOL.CELL V. 8 947 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 1JOC Kd = 24 uM ITP C6 H14 O12 P2 C1([C@@H](....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 1JOC Kd = 24 uM ITP C6 H14 O12 P2 C1([C@@H](....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 1JOC Kd = 24 uM ITP C6 H14 O12 P2 C1([C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ITP; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 ITP 1 1
2 I4D 0.730769 0.966667
3 2IP 0.68 1
4 I3P 0.655172 1
5 I3S 0.655172 1
6 4IP 0.6 0.966667
7 I4P 0.576923 0.933333
8 IP2 0.571429 1
9 I0P 0.551724 0.966667
10 IP5 0.533333 0.933333
11 5MY 0.533333 0.933333
12 I5P 0.533333 0.933333
13 5IP 0.533333 0.933333
14 I6P 0.52 0.933333
15 IHP 0.52 0.933333
16 LIP 0.451613 0.870968
17 IPD 0.451613 0.870968
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JOC; Ligand: ITP; Similar sites found: 20
This union binding pocket(no: 1) in the query (biounit: 1joc.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3I7V B4P 0.001301 0.44992 None
2 5X40 ACP 0.02251 0.41328 None
3 3DEK RXD 0.03694 0.40872 None
4 2BGS NDP 0.01116 0.43449 2.90698
5 1R1Q ACE ARG GLU PTR VAL ASN VAL 0.003669 0.403 3
6 5NE2 DGL 0.004029 0.42508 3.2
7 5DTK 5F3 0.007106 0.41518 4
8 2ZPA ACO 0.01876 0.40413 5.6
9 5JFT ACE ASP GLU VAL ASP 0QE 0.04314 0.40055 5.6
10 5H86 BCO 0.02431 0.41775 6.4
11 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 0.01958 0.41581 6.4
12 4BVA T3 0.0447 0.40883 6.4
13 4DV8 0LX 0.0077 0.4344 7.2
14 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.00747 0.42056 7.2
15 3G35 F13 0.001909 0.47495 8
16 5GJH SER ASP PTR MET ASN MET THR PRO 0.003576 0.41359 9
17 4KQR VPP 0.00631 0.4259 9.6
18 5H5J FAD 0.01523 0.41413 9.6
19 1PI5 SM2 0.01242 0.42908 12.8
20 2FGE ALA ALA LEU THR ARG ALA 0.003531 0.41985 15.2
Pocket No.: 2; Query (leader) PDB : 1JOC; Ligand: ITP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1joc.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback