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 319 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 271 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 223 families.
1 5NGL - NOJ BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NOJ BGC; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 NOJ BGC 1 1
2 EDG AHR 0.72549 0.875
3 IFM MAN 0.532258 0.893617
4 NOJ GLC 0.492063 1
5 MMA MAN 0.483333 0.666667
6 MAN MAN BMA 0.470588 0.73913
7 GLC DMJ 0.46875 1
8 BGC GLC GLC GLC GLC GLC 0.451613 0.695652
9 BGC GLC GLC GLC GLC 0.451613 0.695652
10 GLC GLC GLC 0.430556 0.73913
11 MMA MAN MAN 0.428571 0.666667
12 Z9N GLC 0.424242 0.64
13 RGG 0.423729 0.688889
14 BMA MAN MAN 0.42029 0.695652
15 H1M MAN MAN 0.413333 0.66
16 MMA 0.407407 0.638298
17 MBG 0.407407 0.638298
18 AMG 0.407407 0.638298
19 GYP 0.407407 0.638298
20 AHR AHR 0.40678 0.604167
21 J5B 0.403226 0.632653
22 EBQ 0.403226 0.632653
Similar Ligands (3D)
Ligand no: 1; Ligand: NOJ BGC; Similar ligands found: 64
No: Ligand Similarity coefficient
1 TH1 0.9422
2 GLC BGC 0.9391
3 BGC GAL 0.9292
4 GAL BGC 0.9242
5 GLA GAL 0.9201
6 5F7 0.9157
7 OAK 0.9139
8 TOP 0.9129
9 ISX 0.9098
10 GLC GLC 0.9076
11 94M 0.9033
12 DZ1 0.9027
13 NAR 0.8988
14 DMB 0.8985
15 IMK 0.8983
16 NQK 0.8955
17 IDC 0.8930
18 7WD 0.8929
19 BGC GLA 0.8914
20 T5J 0.8898
21 ON1 0.8877
22 XYP XYP 0.8875
23 MGI 0.8865
24 GLC GLA 0.8852
25 JZR 0.8843
26 P1Y 0.8822
27 I0D 0.8817
28 M08 0.8812
29 PCG 0.8810
30 KUP 0.8805
31 KOT 0.8798
32 6UW 0.8797
33 KTM 0.8795
34 ZW2 0.8777
35 35G 0.8760
36 8GP 0.8755
37 TQT 0.8754
38 NW1 0.8749
39 NQE 0.8737
40 IDE 0.8719
41 CMP 0.8706
42 EMU 0.8696
43 CMG 0.8695
44 DTK 0.8685
45 2L2 0.8679
46 XYP XYS 0.8675
47 7GP 0.8673
48 8MF 0.8668
49 NKH 0.8666
50 WG8 0.8665
51 4P8 0.8663
52 VXM 0.8660
53 LOX XYP 0.8651
54 BDE 0.8651
55 SCE 0.8633
56 D5F 0.8630
57 TCW 0.8628
58 XYP XIM 0.8602
59 A0R 0.8601
60 DSQ 0.8595
61 5R9 0.8585
62 6J7 0.8581
63 QRP 0.8547
64 INI 0.8544
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5ngl.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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