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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: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 PTQ 1 1
2 HTG 0.483333 0.744186
3 SOG 0.47541 0.744186
4 GLC IBZ 0.461538 0.825
5 BGC IBZ 0.461538 0.825
6 MSX MAN 0.419355 0.842105
7 YDR 0.419355 0.864865
8 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 with APoc: 93
This union binding pocket(no: 1) in the query (biounit: 3ogv.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1PX8 XYP 1.2
2 5AYI BGC 1.75055
3 3PTQ NFG 1.78218
4 1UZ4 IFL 1.81818
5 3GNP SOG 1.84426
6 3II1 BGC 1.86916
7 1V08 NTZ 1.95312
8 3AXX CBI 1.96507
9 4YZT BGC BGC BGC BGC 2.05224
10 1VA6 ADP 2.12355
11 4EK7 BGC 2.14425
12 2E40 LGC 2.15054
13 5H4R CTT 2.27273
14 1ICV NIO 2.30415
15 4OUE IPT 2.34542
16 3WV6 GAL BGC 2.36486
17 3WV6 GAL GLC 2.36486
18 4TO8 FLC 2.39726
19 1II7 DA 2.4024
20 6D6W GCU 2.48756
21 1SL6 GAL NDG FUC 2.71739
22 1OYB HBA 2.75
23 3CMJ SRT 2.7957
24 5OKG XYT 2.8866
25 5OKG BG6 2.8866
26 2OVW CBI 2.91971
27 3UG4 AHR 2.97619
28 2CET PGI 2.99145
29 2WXD E18 2.99401
30 3M3E GAL A2G NPO 3.10559
31 6B2W AG2 3.3033
32 1ECE BGC BGC BGC BGC 3.35196
33 1QW9 KHP 3.58566
34 1C1L GAL BGC 3.64964
35 5GNX BGC 3.85439
36 4PTX BGC 3.9823
37 4WVW SLT 4.16667
38 4X1B MLI 4.27099
39 4CD5 BMA MVL 4.29594
40 3NV3 GAL NAG MAN 4.34783
41 5A7C 5D4 4.42478
42 1W6M GAL 4.47761
43 1W6O LAT 4.47761
44 1W6P NDG GAL 4.47761
45 3OYW TDG 4.47761
46 1GZW GAL BGC 4.47761
47 4PBG BGP 4.70085
48 3AYS CT3 4.78723
49 3RJY GLC 5
50 4D52 GXL 5.07937
51 4D52 GIV 5.07937
52 5NFB 8VT 5.11364
53 6D50 GCB 5.19187
54 5GLT BGC GAL NAG GAL 5.28169
55 4DYG MES 5.32787
56 3BOF HCS 5.47703
57 1Q8A HCS 5.47703
58 1O97 AMP 5.68182
59 4YDD MD1 5.70571
60 4YDD MGD 5.70571
61 4M82 NGB 5.76441
62 1FH8 XYP XIF 5.76923
63 4YHG CT3 5.9126
64 2D6M LBT 6.28931
65 5YIF 8VR 6.52632
66 3AI0 PNW 6.57084
67 1MID LAP 6.59341
68 3VV1 GAL FUC 6.875
69 4JIE BMA 6.95825
70 5D4Y BXP 7.04225
71 4OIT MAN 7.07965
72 6GL0 GLC BGC BGC 7.25076
73 1IS3 LAT 7.40741
74 2E9L BGC 7.67591
75 2E9L OLA 7.67591
76 2E9L PLM 7.67591
77 3WUC GLC GAL 8.0292
78 3F5K CE5 8.10811
79 3ZXE PGZ 8.27068
80 2NSX IFM 8.4507
81 5DG2 GAL GLC 8.88889
82 2BVD ISX 9.54064
83 1A78 TDG 10.4478
84 3LPF Z77 10.7438
85 2YMZ LAT 10.7692
86 4KYS VIB 10.7728
87 6A56 LAT 10.9756
88 5DM1 5D7 11.6105
89 4Z1D PEP 12.3188
90 3EWC MCF 12.3989
91 5I79 CTT 13.4868
92 3WUD GLC GAL 16.9118
93 1SLT NDG GAL 23.1343
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