-->
Receptor
PDB id Resolution Class Description Source Keywords
5NGL 1.85 Å EC: 7.-.-.- THE ENDO-BETA1,6-GLUCANASE BT3312 BACTEROIDES THETAIOTAOMICRON GLYCOSIDE HYDROLASE; ENDO-BETA1 6-CLUCANASE; BETA-1 6-GLUCBACTEROIDES; HUMAN GUT MICROBIOTA; YEAST GLYCAN HYDROLASE
Ref.: A BACTEROIDETES LOCUS DEDICATED TO FUNGAL 1,6-BETA-DEGRADATION: UNIQUE SUBSTRATE CONFORMATION DRIVES SPECIFICITY OF THE KEY ENDO-1,6-BETA-GLUCANASE. J. BIOL. CHEM. V. 292 10639 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA B:504;
B:503;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
NOJ BGC B:501;
A:501;
C:501;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
326.322 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5NGL 1.85 Å EC: 7.-.-.- THE ENDO-BETA1,6-GLUCANASE BT3312 BACTEROIDES THETAIOTAOMICRON GLYCOSIDE HYDROLASE; ENDO-BETA1 6-CLUCANASE; BETA-1 6-GLUCBACTEROIDES; HUMAN GUT MICROBIOTA; YEAST GLYCAN HYDROLASE
Ref.: A BACTEROIDETES LOCUS DEDICATED TO FUNGAL 1,6-BETA-DEGRADATION: UNIQUE SUBSTRATE CONFORMATION DRIVES SPECIFICITY OF THE KEY ENDO-1,6-BETA-GLUCANASE. J. BIOL. CHEM. V. 292 10639 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 5NGL - NOJ 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 250 families.
1 5NGL - NOJ BGC n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 5NGL - NOJ BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NOJ BGC; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 NOJ BGC 1 1
2 DMJ MAN 1 1
3 EDG AHR 0.72549 0.875
4 IFM MAN 0.532258 0.893617
5 NOJ GLC 0.492063 1
6 MAN MMA 0.483333 0.666667
7 GLC DMJ 0.46875 1
8 BMA MAN 0.466667 0.695652
9 MAN MAN 0.466667 0.695652
10 BGC GLA 0.466667 0.695652
11 GLC BGC 0.466667 0.695652
12 BGC GLC 0.466667 0.695652
13 GLC GLC 0.466667 0.695652
14 GLA BMA 0.466667 0.695652
15 BMA GLA 0.466667 0.695652
16 GLA GLC 0.466667 0.695652
17 GAL GAL 0.466667 0.695652
18 MLB 0.466667 0.695652
19 LAK 0.466667 0.695652
20 MAN BMA 0.466667 0.695652
21 GLA BGC 0.466667 0.695652
22 GAL GLC 0.466667 0.695652
23 MAN MAN MAN 0.451613 0.695652
24 BMA MAN MAN 0.451613 0.695652
25 GLC GLC GLC 0.451613 0.695652
26 GLC GLC GLC GLC BGC 0.451613 0.695652
27 GLC GLC GLC GLC GLC BGC 0.451613 0.695652
28 EBG 0.45 0.666667
29 MAN MMA MAN 0.428571 0.666667
30 RGG 0.423729 0.688889
31 MAN BMA MAN 0.42029 0.695652
32 GYP 0.407407 0.638298
33 MBG 0.407407 0.638298
34 AMG 0.407407 0.638298
35 MMA 0.407407 0.638298
36 FUB AHR 0.40678 0.604167
37 AHR AHR 0.40678 0.604167
38 M5S 0.405405 0.695652
39 MAN BMA MAN MAN MAN 0.405405 0.695652
40 EBQ 0.403226 0.632653
41 WZ2 0.4 0.627451
42 4CQ 0.4 0.680851
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5NGL; Ligand: NOJ BGC; Similar sites found with APoc: 71
This union binding pocket(no: 1) in the query (biounit: 5ngl.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1YNH SUO 1.417
2 2JEQ GAL BGC BGC BGC XYS BGC XYS 1.51899
3 3F5K CE5 1.6632
4 4YZT BGC BGC BGC BGC 1.82186
5 1QM5 GLC GLC GLC PO4 SGC GLC 1.82186
6 2CER PGI 1.84049
7 4WAS NAP 1.92308
8 4WAS COO 1.92308
9 2E40 LGC 1.93548
10 3AXX CBI 1.96507
11 4U5I BXP 1.98511
12 3II1 BGC 2.02429
13 3T5M AMP 2.08333
14 2HK5 1BM 2.22222
15 2WXD E18 2.22672
16 4AQ0 DMJ 2.22672
17 5JFS 6K0 2.27273
18 4AT3 LTI 2.34114
19 4E2J MOF 2.4
20 3UG4 AHR 2.42915
21 2OYL IDC 2.4948
22 3GJB AKG 2.50784
23 3PLS ANP 2.68456
24 3WXL ADP 2.83401
25 5ZMY TAR 2.86624
26 4M82 NGB 3.00752
27 4EK7 BGC 3.03644
28 5OKG BG6 3.09278
29 3AYS CT3 3.23887
30 6EQS BV8 3.27273
31 3AI0 PNW 3.28542
32 4PTX BGC 3.31858
33 4PBG BGP 3.4413
34 1UU6 BGC BGC BGC BGC 3.57143
35 2E9L BGC 3.62473
36 2E9L PLM 3.62473
37 2E9L OLA 3.62473
38 5GNX BGC 3.64026
39 6F9G PUT 3.73832
40 3CMJ SRT 3.87097
41 3GNP SOG 3.89344
42 2FDW D3G 3.9916
43 4JIE BMA 4.04858
44 2JAP J01 4.04858
45 3MKN DNB 4.11392
46 6I6R H62 4.45344
47 2ZB4 NAP 4.48179
48 2ZB4 5OP 4.48179
49 5MWK RAM ARA GAL 8PK 8OQ RAM 4.65587
50 5MGD GLC GAL GAL 4.65587
51 4B7X NAP 4.7619
52 3D91 REM 5.27859
53 2WPX ACO 5.30973
54 1V08 NTZ 5.46559
55 3KXC PLM 6.32911
56 2FTB OLA 6.4
57 1UZ4 IFL 6.59091
58 1NYW DAU 7.61421
59 4HK8 XYP XYP XYP XYP XYP XYP 7.93651
60 4UFH GIF 8.50202
61 5AYI BGC 8.53392
62 2O9R TCB 8.84956
63 4PSB GA3 9.03226
64 3PTQ NFG 9.90099
65 4R57 ACO 10.7955
66 6GL0 GLC BGC BGC 10.8761
67 2B4B B33 11.6959
68 2CET PGI 13.6752
69 2Y24 XYP XYP GCV XYP 34.7258
70 5A6M XYP XYP XYS 39.8533
71 2NSX IFM 40.6883
APoc FAQ
Feedback