Receptor
PDB id Resolution Class Description Source Keywords
2CIP 1.4 Å EC: 3.2.1.4 STRUCTURE OF THE MICHAELIS COMPLEX OF A FAMILY 26 LICHENASE CLOSTRIDIUM THERMOCELLUM BETA-1 4 BETA-1 3 GLUCANASE LICHENASE HYDROLASE GLYCOSIPOLYSACCHARIDE DEGRADATION CELLULOSE DEGRADATION CARBOHYDMETABOLISM MICHAELIS COMPLEX GLYCOSIDE HYDROLASE
Ref.: SUBSTRATE DISTORTION BY A LICHENASE HIGHLIGHTS THE CONFORMATIONAL ITINERARIES HARNESSED BY RELATED GLY HYDROLASES. ANGEW.CHEM.INT.ED.ENGL. V. 45 5136 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC ZZ1 BGC B:1;
 Valid;
 none;
 submit data
500.453 n/a O=C1O...
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 POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THL ICHENASE, CTLIC26A CLOSTRIDIUM THERMOCELLUM HYDROLASE LICHENASE BETA-1 4 BETA-1 3 GLUCANASE GLYCOSIDEHYDROLASE FAMILY 26
Ref.: HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATA DIFFERENT POLYSACCHARIDES: STRUCTURE AND ACTIVITY O 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 46 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 43 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 32 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 (2D)
Ligand no: 1; Ligand: BGC ZZ1 BGC; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC ZZ1 BGC 1 1
2 BGC 4MU BGC 0.792208 1
3 ZZ1 GAL 0.788732 0.953488
4 BGC 4MU BGC BGC BGC 0.782051 1
5 GUM 0.574468 0.767857
6 UMG 0.5625 0.767857
7 MBG GAL 0.48 0.772727
8 BDP 4MU XYS BDP XYS 0.476636 0.891304
9 BGC GAL GLA 0.45679 0.767442
10 BGC BGC BGC BGC BGC BGC BGC BGC 0.452381 0.767442
11 BGC UWU BGC 0.433962 0.857143
12 GLC BGC BGC BGC 0.425 0.767442
13 BGC BGC BGC BGC BGC 0.425 0.767442
14 BGC BGC BGC 0.425 0.767442
15 BGC BGC BGC BGC BGC BGC BGC 0.425 0.767442
16 BGC BGC BGC BGC BGC BGC 0.425 0.767442
17 NAG GAL GAL 0.422222 0.660377
18 RCB 0.408602 0.6
19 MMA MAN MAN 0.402299 0.772727
20 04G GAL 0.402174 0.705882
21 NPJ 0.402174 0.6
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC ZZ1 BGC; Similar ligands found: 0
No: Ligand Similarity coefficient
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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