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 A:1042;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
NAG NAG BMA MAN MAN MAN MAN A:1025;
Part of Protein;
none;
submit data
1219.11 n/a O=C(N...
NAG NAG BMA MAN MAN MAN MAN GLC A:1032;
Part of Protein;
none;
submit data n/a n/a 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 13 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 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 - GAL GLC n/a n/a
9 5IFT - GAL GLC 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 9 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 - GAL GLC n/a n/a
9 5IFT - GAL GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PTQ; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 PTQ 1 1
2 G0S LYS PRO LEU NH2 0.509804 0.861111
3 HTG 0.483333 0.744186
4 SOG 0.47541 0.744186
5 BGC IBZ 0.461538 0.825
6 GLC IBZ 0.461538 0.825
7 MSX MAN 0.419355 0.842105
8 YDR 0.419355 0.864865
9 IPT 0.4 0.810811
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3OGV; Ligand: PTQ; Similar sites found: 33
This union binding pocket(no: 1) in the query (biounit: 3ogv.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AYI BGC 0.002126 0.40522 1.75055
2 3PTQ NFG 0.0009715 0.44124 1.78218
3 3GNP SOG 0.003011 0.41436 1.84426
4 1V08 NTZ 0.004375 0.41439 1.95312
5 3AXX CBI 0.003993 0.43013 1.96507
6 1VA6 ADP 0.01867 0.405 2.12355
7 4EK7 BGC 0.008791 0.40084 2.14425
8 1OYB HBA 0.01306 0.4061 2.75
9 3UG4 AHR 0.003733 0.42677 2.97619
10 2CET PGI 0.00268 0.43505 2.99145
11 1ECE BGC BGC BGC BGC 0.006917 0.41111 3.35196
12 1QW9 KHP 0.006538 0.40045 3.58566
13 1UR1 XYS XYP AHR 0.01628 0.40024 3.7037
14 4PTX BGC 0.006595 0.4005 3.9823
15 4CD5 BMA MVL 0.002567 0.43068 4.29594
16 1W6P NDG GAL 0.0008928 0.46635 4.47761
17 4YDD MGD 0.03336 0.41956 5.70571
18 4YDD MD1 0.03336 0.41956 5.70571
19 4M82 NGB 0.008129 0.40615 5.76441
20 4YHG CT3 0.003516 0.41113 5.9126
21 5D9O BGC BGC BGC BGC 0.01767 0.41047 5.94901
22 3AI0 PNW 0.002988 0.41518 6.57084
23 2E9L BGC 0.004745 0.43918 7.67591
24 2E9L OLA 0.006434 0.43278 7.67591
25 2E9L PLM 0.009517 0.42349 7.67591
26 3F5K CE5 0.01413 0.40584 8.10811
27 2NSX IFM 0.002556 0.41397 8.4507
28 2BVD ISX 0.001989 0.43933 9.54064
29 2IMF GSH 0.02242 0.4181 11.33
30 2IMF TOM 0.02242 0.4181 11.33
31 5DM1 5D7 0.02981 0.40226 11.6105
32 3EWC MCF 0.004555 0.42441 12.3989
33 5I79 CTT 0.007135 0.40284 13.4868
Feedback