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 nM
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 199 families.
1 4K3H Kd = 90 nM 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 65 families.
1 4K3H Kd = 90 nM 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 922 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 nM 1OM C23 H26 N2 O CN(C)c1ccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1OM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1OM 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4K3H; Ligand: 1OM; Similar sites found: 36
This union binding pocket(no: 1) in the query (biounit: 4k3h.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FWJ MMK 0.006278 0.42815 None
2 5A3T MMK 0.002813 0.43005 1.69492
3 2G30 ALA ALA PHE 0.0003313 0.45015 2.54237
4 4Y24 TD2 0.01519 0.40484 2.54237
5 4NS0 PIO 0.0136 0.41948 4.23729
6 5LDQ NAP 0.005221 0.42298 5.08475
7 2WA4 069 0.005262 0.42282 5.08475
8 5FU3 BGC BGC BGC 0.0264 0.40325 5.66038
9 4WOE ADP 0.00255 0.45601 5.9322
10 5FUI APY 0.005409 0.43443 5.9322
11 4B0T ADP 0.002479 0.42497 5.9322
12 5KJW 53C 0.01066 0.42208 5.9322
13 3PUA OGA 0.02322 0.4063 5.9322
14 5BVB DOG 0.009579 0.40292 5.9322
15 2RKV ZBA 0.01413 0.4057 6.77966
16 2RKV COA 0.01328 0.40367 6.77966
17 1KJ1 MAN 0.007203 0.43034 7.33945
18 3NZ1 3NY 0.01247 0.418 7.62712
19 4XZ6 TMO 0.02049 0.4065 7.62712
20 4WVW SLT 0.02181 0.40032 7.63889
21 1ZB6 GST 0.006568 0.41239 8.47458
22 4REI 3MV 0.02197 0.40583 8.47458
23 5FQ0 FLC 0.02312 0.40332 8.77193
24 5AIG VPR 0.008153 0.41801 9.32203
25 3OPT AKG 0.02767 0.40229 9.32203
26 4ANW O92 0.008547 0.40989 10.1695
27 5F3I 5UJ 0.02211 0.40947 10.1695
28 4YVN EBS 0.01632 0.41312 12.7119
29 3S7O LBV 0.01017 0.40651 12.7119
30 1JL0 PUT 0.01762 0.40459 12.7119
31 2VFT SOR 0.01707 0.40237 14.4068
32 3BRN SRO 0.02913 0.4005 18.6441
33 5CPR 539 0.01879 0.40436 19.4915
34 2Q6B HR2 0.02182 0.4163 21.1864
35 3FW4 CAQ 0.009124 0.40192 26.2712
36 5LRT ADP 0.005553 0.40979 27.1186
Pocket No.: 2; Query (leader) PDB : 4K3H; Ligand: 1OM; Similar sites found: 6
This union binding pocket(no: 2) in the query (biounit: 4k3h.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5KBE IPH 0.02678 0.4007 5.08475
2 3LVW GSH 0.01036 0.41076 5.9322
3 1I06 TZL 0.02183 0.40529 8.47458
4 4D52 GIV 0.01726 0.4133 11.8644
5 4D52 GXL 0.02987 0.40125 11.8644
6 2Y88 2ER 0.009478 0.41252 12.7119
Pocket No.: 3; Query (leader) PDB : 4K3H; Ligand: 1OM; Similar sites found: 6
This union binding pocket(no: 3) in the query (biounit: 4k3h.bio4) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Y9Q MED 0.009877 0.42623 2.54237
2 4OYA 1VE 0.03209 0.40692 2.54237
3 3ZGJ RMN 0.02282 0.4043 4.23729
4 4LAM 5CU 0.02429 0.4029 5.85106
5 1ZB6 DIN 0.01004 0.40292 8.47458
6 4JH6 FCN 0.01741 0.40602 16.1017
Pocket No.: 4; Query (leader) PDB : 4K3H; Ligand: 1OM; Similar sites found: 7
This union binding pocket(no: 4) in the query (biounit: 4k3h.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GZW GAL BGC 0.01653 0.4045 None
2 1C1L GAL BGC 0.01878 0.40377 None
3 1ULE GLA GAL NAG 0.01427 0.40237 4.23729
4 2A4W BLM 0.004899 0.41663 6.77966
5 4OCT AKG 0.01324 0.40776 9.32203
6 3WV6 GAL BGC 0.006968 0.4135 19.4915
7 3WV6 GAL GLC 0.006444 0.40325 19.4915
Feedback