Receptor
PDB id Resolution Class Description Source Keywords
5DGR 1.9 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF GH9 EXO-BETA-D-GLUCOSAMINIDASE PBPRA052 GLUCOSAMINE COMPLEX PHOTOBACTERIUM PROFUNDUM GLYCOSIDE HYDROLASE FAMILY 9 ALPHA-ALPHA-6 BARREL EXO-D-BEGLUCOSAMINIDASE HYDROLASE
Ref.: THE CRYSTAL STRUCTURE OF AN INVERTING GLYCOSIDE HYD FAMILY 9 EXO-BETA-D-GLUCOSAMINIDASE AND THE DESIGN GLYCOSYNTHASE. BIOCHEM.J. V. 473 463 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GCS B:602;
A:602;
Valid;
Valid;
none;
none;
submit data
179.171 C6 H13 N O5 C([C@...
NA B:601;
A:601;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DGR 1.9 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF GH9 EXO-BETA-D-GLUCOSAMINIDASE PBPRA052 GLUCOSAMINE COMPLEX PHOTOBACTERIUM PROFUNDUM GLYCOSIDE HYDROLASE FAMILY 9 ALPHA-ALPHA-6 BARREL EXO-D-BEGLUCOSAMINIDASE HYDROLASE
Ref.: THE CRYSTAL STRUCTURE OF AN INVERTING GLYCOSIDE HYD FAMILY 9 EXO-BETA-D-GLUCOSAMINIDASE AND THE DESIGN GLYCOSYNTHASE. BIOCHEM.J. V. 473 463 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 5DGR - GCS C6 H13 N O5 C([C@@H]1[....
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 5DGR - GCS C6 H13 N O5 C([C@@H]1[....
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 5DGR - GCS C6 H13 N O5 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GCS; Similar ligands found: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 PA1 1 1
2 95Z 1 1
3 GCS 1 1
4 X6X 1 1
5 1GN 1 1
6 4R1 0.488372 0.729167
7 GLP 0.488372 0.729167
8 FUB 0.483871 0.684211
9 Z6J 0.483871 0.684211
10 AHR 0.483871 0.684211
11 32O 0.483871 0.684211
12 RIB 0.483871 0.684211
13 BMA 0.457143 0.777778
14 MAN 0.457143 0.777778
15 BGC 0.457143 0.777778
16 GIV 0.457143 0.777778
17 GLC 0.457143 0.777778
18 WOO 0.457143 0.777778
19 GAL 0.457143 0.777778
20 ALL 0.457143 0.777778
21 GLA 0.457143 0.777778
22 GXL 0.457143 0.777778
23 3LJ 0.454545 0.636364
24 2FG 0.421053 0.7
25 GAF 0.421053 0.7
26 G2F 0.421053 0.7
27 SHG 0.421053 0.7
28 2GS 0.4 0.7
29 GP1 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DGR; Ligand: GCS; 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: 5dgr.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5DGR; Ligand: GCS; 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: 5dgr.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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