Receptor
PDB id Resolution Class Description Source Keywords
3OGV 1.4 Å EC: 3.2.1.23 COMPLEX STRUCTURE OF BETA-GALACTOSIDASE FROM TRICHODERMA REE PETG TRICHODERMA REESEI TIM BARREL DOMAIN GLYCOSIDE HYDROLASE FAMILY 35 GLYCOPROTHYDROLASE
Ref.: CRYSTAL STRUCTURES OF TRICHODERMA REESEI BETA-GALAC REVEAL CONFORMATIONAL CHANGES IN THE ACTIVE SITE J.STRUCT.BIOL. V. 174 156 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:1040;
A:1041;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG D:1;
 Part of Protein;
 none;
 submit data
408.404 n/a O=C(N...
NAG NAG BMA MAN MAN MAN MAN B:1;
 Part of Protein;
 none;
 submit data
1219.11 n/a O=C(N...
NAG NAG BMA MAN MAN MAN MAN GLC C:1;
 Part of Protein;
 none;
 submit data
n/a n/a
PTQ A:1024;
 Valid;
 none;
 submit data
300.371 C14 H20 O5 S c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OGV 1.4 Å EC: 3.2.1.23 COMPLEX STRUCTURE OF BETA-GALACTOSIDASE FROM TRICHODERMA REE PETG TRICHODERMA REESEI TIM BARREL DOMAIN GLYCOSIDE HYDROLASE FAMILY 35 GLYCOPROTHYDROLASE
Ref.: CRYSTAL STRUCTURES OF TRICHODERMA REESEI BETA-GALAC REVEAL CONFORMATIONAL CHANGES IN THE ACTIVE SITE J.STRUCT.BIOL. V. 174 156 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 3OGR - GAL C6 H12 O6 C([C@@H]1[....
2 3OGV - PTQ C14 H20 O5 S c1ccc(cc1)....
3 3OGS - IPT C9 H18 O5 S CC(C)S[C@H....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1XC6 - GAL C6 H12 O6 C([C@@H]1[....
2 3OGR - GAL C6 H12 O6 C([C@@H]1[....
3 3OGV - PTQ C14 H20 O5 S c1ccc(cc1)....
4 3OGS - IPT C9 H18 O5 S CC(C)S[C@H....
5 5MGC - GLC GAL GAL n/a n/a
6 5MGD - GLC GAL GAL n/a n/a
7 5JUV - GAL GAL n/a n/a
8 5IHR - GLC GAL n/a n/a
9 5IFT - GLC GAL n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1XC6 - GAL C6 H12 O6 C([C@@H]1[....
2 3OGR - GAL C6 H12 O6 C([C@@H]1[....
3 3OGV - PTQ C14 H20 O5 S c1ccc(cc1)....
4 3OGS - IPT C9 H18 O5 S CC(C)S[C@H....
5 5MGC - GLC GAL GAL n/a n/a
6 5MGD - GLC GAL GAL n/a n/a
7 5JUV - GAL GAL n/a n/a
8 5IHR - GLC GAL n/a n/a
9 5IFT - GLC GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PTQ; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 PTQ 1 1
2 HTG 0.483333 0.744186
3 SOG 0.47541 0.744186
4 MSX MAN 0.419355 0.842105
5 IPT 0.4 0.810811
Similar Ligands (3D)
Ligand no: 1; Ligand: PTQ; Similar ligands found: 14
No: Ligand Similarity coefficient
1 8WW 0.9270
2 CA2 0.9022
3 28C 0.8975
4 GAL PHB 0.8915
5 147 0.8868
6 G27 0.8856
7 M7O 0.8844
8 GAL NPO 0.8772
9 JZR 0.8729
10 ZZ1 GAL 0.8644
11 4TX 0.8622
12 PNG 0.8622
13 INI 0.8600
14 PNJ 0.8565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3OGV; Ligand: PTQ; 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: 3ogv.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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