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Receptor
PDB id Resolution Class Description Source Keywords
2C4I 1.95 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF ENGINEERED AVIDIN GALLUS GALLUS BIOTIN GLYCOPROTEIN SIGNALOR
Ref.: CONTROLLING QUATERNARY STRUCTURE ASSEMBLY: SUBUNIT ENGINEERING AND CRYSTAL STRUCTURE OF DUAL CHAIN AVI J.MOL.BIOL. V. 359 1352 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BTN A:1274;
A:1275;
Valid;
Valid;
none;
none;
submit data
244.311 C10 H16 N2 O3 S C1[C@...
SO4 A:1276;
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
2C4I 1.95 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF ENGINEERED AVIDIN GALLUS GALLUS BIOTIN GLYCOPROTEIN SIGNALOR
Ref.: CONTROLLING QUATERNARY STRUCTURE ASSEMBLY: SUBUNIT ENGINEERING AND CRYSTAL STRUCTURE OF DUAL CHAIN AVI J.MOL.BIOL. V. 359 1352 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2C4I - BTN C10 H16 N2 O3 S C1[C@H]2[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2C4I - BTN C10 H16 N2 O3 S C1[C@H]2[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2C4I - BTN C10 H16 N2 O3 S C1[C@H]2[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BTN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 BTQ 1 1
2 BTN 1 1
3 SHM 0.884615 1
4 SNR 0.807692 1
5 BH7 0.734375 0.921569
6 IMI 0.644068 0.803922
7 BTI 0.62069 0.914894
8 B1R 0.6 0.632353
9 BYT 0.581081 0.87037
10 BNI 0.554054 0.656716
11 41M 0.554054 0.830189
12 B9P 0.5 0.796296
13 ZOF 0.493333 0.833333
14 LUV 0.476744 0.745763
15 NVZ 0.457143 0.75
16 LH3 0.455556 0.666667
17 BSO 0.454545 0.79661
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2C4I; Ligand: BTN; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 2c4i.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3QRC SCR 3.82166
2 5ECP ATP 5.16605
Pocket No.: 2; Query (leader) PDB : 2C4I; Ligand: BTN; 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: 2c4i.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2C4I; Ligand: BTN; 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: 2c4i.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2C4I; Ligand: BTN; 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: 2c4i.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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