Receptor
PDB id Resolution Class Description Source Keywords
6GL0 2.2 Å EC: 3.2.1.4 STRUCTURE OF ZGENGAGH5_4 IN COMPLEX WITH A CELLOTRIOSE ZOBELLIA GALACTANIVORANS GLYCOSIDE HYDROLASE GH5 MIXED LINKED GLUCAN ZOBELLIA GALACTANIVORANS HYDROLASE
Ref.: THE LATERALLY ACQUIRED GH5ZGENGAGH5_4FROM THE MARIN BACTERIUMZOBELLIA GALACTANIVORANSIS DEDICATED TO HEMICELLULOSE HYDROLYSIS. BIOCHEM. J. V. 475 3609 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:404;
C:404;
B:404;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
GLC BGC BGC E:1;
F:1;
D:1;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
474.412 n/a O=CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6GL0 2.2 Å EC: 3.2.1.4 STRUCTURE OF ZGENGAGH5_4 IN COMPLEX WITH A CELLOTRIOSE ZOBELLIA GALACTANIVORANS GLYCOSIDE HYDROLASE GH5 MIXED LINKED GLUCAN ZOBELLIA GALACTANIVORANS HYDROLASE
Ref.: THE LATERALLY ACQUIRED GH5ZGENGAGH5_4FROM THE MARIN BACTERIUMZOBELLIA GALACTANIVORANSIS DEDICATED TO HEMICELLULOSE HYDROLYSIS. BIOCHEM. J. V. 475 3609 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 46 families.
1 6GL0 - GLC BGC BGC n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 6GL0 - GLC BGC BGC n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5H4R - BGC BGC BGC BGC n/a n/a
2 4W88 - BGC BGC BGC XYS XYS GAL n/a n/a
3 4W89 - GLC BGC BGC n/a n/a
4 4W87 - BGC BGC BGC XYS n/a n/a
5 4W85 - BGC C6 H12 O6 C([C@@H]1[....
6 6GL0 - GLC BGC BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC BGC BGC; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC BGC BGC 1 1
2 GLO GLC GLC 0.791045 1
3 GLO GLC GLC GLC 0.768116 1
4 SOR GLC GLC 0.701493 0.971429
5 GLO BGC 0.550725 0.914286
6 BGC GLA GAL 0.539683 0.942857
7 MGL GAL 0.515152 0.891892
8 GLC GLC GLC GLC BGC GLC GLC 0.5 0.942857
9 G2F SHG BGC BGC 0.5 0.846154
10 MAN BMA BMA BMA BMA BMA BMA 0.5 0.942857
11 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.5 0.942857
12 BGC XGP 0.492958 0.75
13 GLC EDO GLC 0.485714 0.944444
14 GLO GLC 0.463768 0.885714
15 BGC BGC BGC BGC BGC BGC BGC BGC 0.460526 0.942857
16 BGC 5VQ GAL GLA 0.459459 0.846154
17 MAN BMA BMA 0.459459 0.944444
18 GLO BGC BGC XYS BGC XYS XYS 0.458333 0.972222
19 FRU BGC BGC BGC 0.454545 0.871795
20 GPM GLC 0.445946 0.733333
21 BGC GAL GLA 0.445946 0.942857
22 G2F BGC BGC BGC BGC BGC 0.441558 0.825
23 GLC NBU GAL GLA 0.441558 0.804878
24 GAL GLA 0.441176 0.942857
25 GCO GAL 0.44 0.916667
26 CEZ 0.44 0.942857
27 XYS GLC GLC 0.4375 0.971429
28 BQZ 0.4375 0.857143
29 LAG 0.432099 0.607143
30 6UZ 0.432099 0.804878
31 BGC OXZ BGC 0.43038 0.693878
32 LMU 0.43038 0.75
33 LMT 0.43038 0.75
34 G2I 0.43038 0.772727
35 DMU 0.43038 0.75
36 UMQ 0.43038 0.75
37 G3I 0.43038 0.772727
38 GAL NAG GAL 0.428571 0.73913
39 GLC GLC G6D ADH GLC GLC 0.426829 0.6875
40 NPJ 0.421687 0.6
41 NAG GAL 0.421053 0.73913
42 TVD GAL 0.421053 0.68
43 BGC GAL NGA GAL 0.418605 0.73913
44 MAN NAG GAL 0.416667 0.73913
45 BMA BMA BMA BMA GLA 0.414634 0.942857
46 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.414634 0.942857
47 NAG GAL BGC GAL 0.413793 0.73913
48 RCB 0.411765 0.6
49 GLC BGC BGC BGC 0.410959 0.942857
50 BGC BGC BGC BGC BGC 0.410959 0.942857
51 BGC BGC BGC BGC BGC BGC 0.410959 0.942857
52 BGC BGC BGC 0.410959 0.942857
53 BGC BGC BGC BGC BGC BGC BGC 0.410959 0.942857
54 MBG GAL 0.408451 0.891892
55 CM5 0.406977 0.846154
56 BGC GAL GLA NGA GAL 0.406593 0.73913
57 MBG GLA 0.405797 0.891892
58 BMA BMA BMA BMA 0.405063 0.942857
59 GAL NAG GAL NAG GAL 0.404494 0.693878
60 BGC GLC GLC GLC 0.402439 0.942857
61 GLC GLC GLC GLC GLC 0.402439 0.942857
62 MA4 0.402299 0.846154
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC BGC BGC; Similar ligands found: 11
No: Ligand Similarity coefficient
1 GCS GCS GCS 0.9672
2 GLC SHD Z6H 0.9569
3 BMA BMA BGC 0.9455
4 SGC SGC BGC 0.9230
5 GTM BGC BGC 0.9194
6 BMA BMA BMA 0.9188
7 GS1 GLC GS1 0.9055
8 GCU MAV MAW 0.8906
9 XYP XYP XYP 0.8853
10 XYS XYP XYP 0.8707
11 GLC GLC GLC 0.8707
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6GL0; Ligand: GLC BGC BGC; 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: 6gl0.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6GL0; Ligand: GLC BGC BGC; 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: 6gl0.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6GL0; Ligand: GLC BGC BGC; 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: 6gl0.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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