Receptor
PDB id Resolution Class Description Source Keywords
2BVD 1.6 Å EC: 3.2.1.4 HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A C LOSTRIDIUM THERMOCELLUM LICHENASE, CTLIC26A CLOSTRIDIUM THERMOCELLUM HYDROLASE LICHENASE BETA-1 4 BETA-1 3 GLUCANASE GLYCOSIDE HYDROLASE FAMILY 26
Ref.: HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES: STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CTLIC26A. J.BIOL.CHEM. V. 280 32761 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ISX A:1284;
Valid;
none;
Ki = 1 uM
309.313 C12 H23 N O8 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BVD 1.6 Å EC: 3.2.1.4 HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A C LOSTRIDIUM THERMOCELLUM LICHENASE, CTLIC26A CLOSTRIDIUM THERMOCELLUM HYDROLASE LICHENASE BETA-1 4 BETA-1 3 GLUCANASE GLYCOSIDE HYDROLASE FAMILY 26
Ref.: HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES: STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CTLIC26A. J.BIOL.CHEM. V. 280 32761 2005
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 40 families.
1 2VI0 - MGL SGC n/a n/a
2 2BVD Ki = 1 uM ISX C12 H23 N O8 C1[C@@H]([....
3 2CIP - BGC ZZ1 BGC n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 38 families.
1 2VI0 - MGL SGC n/a n/a
2 2BVD Ki = 1 uM ISX C12 H23 N O8 C1[C@@H]([....
3 2CIP - BGC ZZ1 BGC n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 2VI0 - MGL SGC n/a n/a
2 2BVD Ki = 1 uM ISX C12 H23 N O8 C1[C@@H]([....
3 2CIP - BGC ZZ1 BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ISX; Similar ligands found: 109
No: Ligand ECFP6 Tc MDL keys Tc
1 ISX 1 1
2 9MR 0.559322 0.97619
3 G2I 0.530303 0.953488
4 G3I 0.530303 0.953488
5 GLC IFM 0.52459 0.953488
6 MAN IFM 0.52459 0.953488
7 TRE 0.510204 0.761905
8 MAN 7D1 0.483333 0.767442
9 GLC 7LQ 0.46875 0.72093
10 LAT GLA 0.465517 0.761905
11 BQZ 0.454545 0.731707
12 MAN MNM 0.453125 0.795918
13 LG9 GLC 0.447761 0.722222
14 3CU GLC 0.446154 0.703704
15 GLC GLC XYP 0.442857 0.761905
16 MMA MAN 0.442623 0.727273
17 DR5 0.442623 0.727273
18 GDQ GLC 0.439394 0.76
19 BMA IFM 0.4375 0.931818
20 BGC OXZ 0.4375 0.833333
21 IFM BMA 0.4375 0.931818
22 IFM BGC 0.4375 0.931818
23 GLC BGC 0.433333 0.761905
24 NGR 0.433333 0.761905
25 BMA BMA 0.433333 0.761905
26 MAN GLC 0.433333 0.761905
27 MAB 0.433333 0.761905
28 LAT 0.433333 0.761905
29 B2G 0.433333 0.761905
30 M3M 0.433333 0.761905
31 BMA GAL 0.433333 0.761905
32 N9S 0.433333 0.761905
33 MAL 0.433333 0.761905
34 GLC GAL 0.433333 0.761905
35 GAL BGC 0.433333 0.761905
36 BGC GAL 0.433333 0.761905
37 LBT 0.433333 0.761905
38 GLA GLA 0.433333 0.761905
39 LB2 0.433333 0.761905
40 BGC BMA 0.433333 0.761905
41 CBI 0.433333 0.761905
42 GLA GAL 0.433333 0.761905
43 CBK 0.433333 0.761905
44 GLC GLC 0.433333 0.761905
45 NOY BGC 0.430769 0.795918
46 GLC GLC XYS 0.430556 0.744186
47 MAN BMA BMA BMA BMA BMA 0.428571 0.761905
48 BGC GLC GLC GLC GLC GLC GLC 0.428571 0.761905
49 GLC BGC GLC 0.428571 0.761905
50 BMA BMA BMA BMA BMA BMA 0.428571 0.761905
51 CT3 0.428571 0.761905
52 BGC BGC BGC 0.428571 0.761905
53 MTT 0.428571 0.761905
54 GLC BGC BGC BGC BGC 0.428571 0.761905
55 GLC GLC GLC GLC GLC 0.428571 0.761905
56 MAN MAN BMA BMA BMA BMA 0.428571 0.761905
57 BGC BGC BGC BGC 0.428571 0.761905
58 BMA BMA BMA BMA BMA 0.428571 0.761905
59 B4G 0.428571 0.761905
60 MT7 0.428571 0.761905
61 DXI 0.428571 0.761905
62 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.428571 0.761905
63 GLC BGC BGC 0.428571 0.761905
64 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.428571 0.761905
65 GLC BGC BGC BGC 0.428571 0.761905
66 CEY 0.428571 0.761905
67 CE5 0.428571 0.761905
68 GLA GAL GLC 0.428571 0.761905
69 CEX 0.428571 0.761905
70 MAN BMA BMA BMA BMA 0.428571 0.761905
71 BGC GLC GLC GLC GLC 0.428571 0.761905
72 BGC GLC GLC 0.428571 0.761905
73 CTT 0.428571 0.761905
74 GAL GAL GAL 0.428571 0.761905
75 GLC GAL GAL 0.428571 0.761905
76 CTR 0.428571 0.761905
77 BMA BMA BMA 0.428571 0.761905
78 MAN BMA BMA 0.428571 0.761905
79 BGC GLC GLC GLC 0.428571 0.761905
80 BMA MAN BMA 0.428571 0.761905
81 CE6 0.428571 0.761905
82 GLA GAL BGC 0.428571 0.761905
83 GLC BGC BGC BGC BGC BGC 0.428571 0.761905
84 CE8 0.428571 0.761905
85 BGC BGC BGC GLC 0.428571 0.761905
86 BGC BGC GLC 0.428571 0.761905
87 MLR 0.428571 0.761905
88 OXZ BGC BGC 0.422535 0.816327
89 GLA EGA 0.421875 0.727273
90 5QP 0.421875 0.72093
91 RZM 0.419355 0.826087
92 GLA MBG 0.416667 0.727273
93 2M4 0.416667 0.761905
94 BGC GLC 0.416667 0.761905
95 BMA MAN 0.416667 0.761905
96 MAL EDO 0.415385 0.727273
97 G2F BGC BGC BGC BGC BGC 0.414286 0.680851
98 DOM 0.412698 0.767442
99 BGC BGC 0.412698 0.744186
100 NOJ GLC 0.409091 0.829787
101 GAL FUC 0.40625 0.72093
102 MVP 0.402985 0.622642
103 BGC BGC BGC GLC BGC BGC 0.4 0.761905
104 GLC BGC BGC BGC BGC BGC BGC 0.4 0.761905
105 GLC GLC GLC GLC 0.4 0.761905
106 MAN DGO 0.4 0.744186
107 GLC GLC GLC 0.4 0.761905
108 BGC BGC BGC BGC BGC BGC 0.4 0.761905
109 GLC GLC BGC 0.4 0.761905
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BVD; Ligand: ISX; 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: 2bvd.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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