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Receptor
PDB id Resolution Class Description Source Keywords
3T0X 1.96 Å NON-ENZYME: IMMUNE FLUOROGEN ACTIVATING PROTEIN M8VLA4(S55P) IN COMPLEX WITH DIMETHYLINDOLE RED HOMO SAPIENS IMMUNOGLOBULIN FOLD FLUOROGEN ACTIVATION DIMETHYLINDOLE REBINDING PROTEIN
Ref.: A VARIABLE LIGHT DOMAIN FLUOROGEN ACTIVATING PROTEI HOMODIMERIZES TO ACTIVATE DIMETHYLINDOLE RED. BIOCHEMISTRY V. 51 2471 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DIW A:201;
Valid;
none;
submit data
449.585 C26 H29 N2 O3 S CC1(c...
EDO A:202;
A:203;
A:204;
A:205;
A:206;
A:207;
A:208;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SO4 B:201;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3T0X 1.96 Å NON-ENZYME: IMMUNE FLUOROGEN ACTIVATING PROTEIN M8VLA4(S55P) IN COMPLEX WITH DIMETHYLINDOLE RED HOMO SAPIENS IMMUNOGLOBULIN FOLD FLUOROGEN ACTIVATION DIMETHYLINDOLE REBINDING PROTEIN
Ref.: A VARIABLE LIGHT DOMAIN FLUOROGEN ACTIVATING PROTEI HOMODIMERIZES TO ACTIVATE DIMETHYLINDOLE RED. BIOCHEMISTRY V. 51 2471 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 3T0X - DIW C26 H29 N2 O3 S CC1(c2cccc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 3T0X - DIW C26 H29 N2 O3 S CC1(c2cccc....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 2BFV - STG C24 H32 O9 C[C@]12CC[....
2 1BFV Ka ~ 10000000 M^-1 STG C24 H32 O9 C[C@]12CC[....
3 1CFV Ka ~ 100000000 M^-1 E3G C24 H30 O8 C[C@]12CC[....
4 2CJU - PHX C14 H14 N2 O4 c1ccc(cc1)....
5 1WZ1 - DNS C18 H25 N3 O4 S CN(C)c1ccc....
6 43CA Kd < 1 uM NPO C6 H5 N O3 c1cc(ccc1[....
7 3T0W - DIW C26 H29 N2 O3 S CC1(c2cccc....
8 3DUS - KDO C8 H14 O8 C1[C@H]([C....
9 3DUR - KDO C8 H14 O8 C1[C@H]([C....
10 3DV4 - KDO C8 H14 O8 C1[C@H]([C....
11 3DUU - KDO C8 H14 O8 C1[C@H]([C....
12 3DV6 - KDO C8 H14 O8 C1[C@H]([C....
13 5XCU - TYR PRO TYR ASP VAL PRO ASP TYR ALA n/a n/a
14 5XCS - TYR PRO TYR ASP VAL PRO ASP TYR ALA n/a n/a
15 2E27 Ka = 2220000000 M^-1 AB0 C16 H24 O8 COCO[C@H]1....
16 1OAR Kd = 40 nM AZN C14 H8 O7 S c1ccc2c(c1....
17 3T0X - DIW C26 H29 N2 O3 S CC1(c2cccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DIW; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DIW 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3T0X; Ligand: DIW; Similar sites found with APoc: 20
This union binding pocket(no: 1) in the query (biounit: 3t0x.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5EZU MYR None
2 5Y8L NAD None
3 5Y8L HUI None
4 3GM5 CIT 2.43902
5 1ZPT FAD 2.43902
6 1UPR 4IP 3.25203
7 6D61 4AA 4.06504
8 6A1G 9OL 4.87805
9 5BVB DOG 5.69106
10 5UQD AKG 6.50407
11 3VBK COA 6.50407
12 2Z77 HE7 8.13008
13 1P0Z FLC 8.13008
14 5OCM NAP 8.13008
15 2XXP DSL 9.7561
16 4JH6 FCN 9.7561
17 4CCK OGA 10.5691
18 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 11.1111
19 2HZQ STR 12.069
20 5W97 CHD 17.0732
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