Receptor
PDB id Resolution Class Description Source Keywords
4K3H 2.45 Å NON-ENZYME: IMMUNE IMMUNOGLOBULIN LAMBDA VARIABLE DOMAIN L5(L89S) FLUOROGEN ACT PROTEIN IN COMPLEX WITH MALACHITE GREEN HOMO SAPIENS IMMUNOGLOBULIN FOLD FLUORESCENSCE MALACHITE GREEN O-MANNOTHR27 IMMUNE SYSTEM-INHIBITOR COMPLEX
Ref.: MALACHITE GREEN MEDIATES HOMODIMERIZATION OF ANTIBO DOMAINS TO FORM A FLUORESCENT TERNARY COMPLEX WITH SYMMETRIC INTERFACES. J.MOL.BIOL. V. 425 4595 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:202;
D:202;
B:204;
B:201;
E:203;
G:202;
B:203;
C:201;
E:202;
H:202;
H:201;
F:201;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
1OM E:201;
D:201;
A:201;
G:201;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 90 pM
346.465 C23 H26 N2 O CN(C)...
MAN D:203;
E:204;
H:203;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4K3H 2.45 Å NON-ENZYME: IMMUNE IMMUNOGLOBULIN LAMBDA VARIABLE DOMAIN L5(L89S) FLUOROGEN ACT PROTEIN IN COMPLEX WITH MALACHITE GREEN HOMO SAPIENS IMMUNOGLOBULIN FOLD FLUORESCENSCE MALACHITE GREEN O-MANNOTHR27 IMMUNE SYSTEM-INHIBITOR COMPLEX
Ref.: MALACHITE GREEN MEDIATES HOMODIMERIZATION OF ANTIBO DOMAINS TO FORM A FLUORESCENT TERNARY COMPLEX WITH SYMMETRIC INTERFACES. J.MOL.BIOL. V. 425 4595 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 4K3H Kd = 90 pM 1OM C23 H26 N2 O CN(C)c1ccc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 4K3H Kd = 90 pM 1OM C23 H26 N2 O CN(C)c1ccc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5ACL - SAS C18 H14 N4 O5 S c1ccnc(c1)....
2 5ACM - MBT C16 H18 N3 S CN(C)c1ccc....
3 4K3H Kd = 90 pM 1OM C23 H26 N2 O CN(C)c1ccc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1OM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1OM 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 1OM; Similar ligands found: 9
No: Ligand Similarity coefficient
1 CVI 0.9570
2 57N 0.9031
3 5JX 0.9007
4 5K2 0.8929
5 5K0 0.8927
6 5KG 0.8895
7 CEL 0.8717
8 2RE 0.8682
9 PF4 0.8615
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4K3H; Ligand: 1OM; 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: 4k3h.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4K3H; Ligand: 1OM; 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: 4k3h.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4K3H; Ligand: 1OM; 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: 4k3h.bio4) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4K3H; Ligand: 1OM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4k3h.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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