Receptor
PDB id Resolution Class Description Source Keywords
6LGF 1.85 Å EC: 3.-.-.- BOMBYX MORI GH13 SUCROSE HYDROLASE MUTANT D247N COMPLEXED WI BOMBYX MORI SUCROSE GLYCOSIDE HYDROLASE GH13 HYDROLASE
Ref.: STRUCTURE-FUNCTION ANALYSIS OF SILKWORM SUCROSE HYD UNCOVERS THE MECHANISM OF SUBSTRATE SPECIFICITY IN SUBFAMILY 17EXO-ALPHA-GLUCOSIDASES. J.BIOL.CHEM. V. 295 8784 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:702;
A:702;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
MG A:703;
B:701;
B:703;
A:701;
 Invalid;
Part of Protein;
Invalid;
Part of Protein;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
GLC FRU F:1;
E:1;
 Valid;
Valid;
 none;
none;
 submit data
340.281 n/a O=CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6LGI 1.6 Å EC: 3.-.-.- BOMBYX MORI GH13 SUCROSE HYDROLASE MUTANT E322Q COVALENT INT COMPLEXED WITH FRUCTOSE BOMBYX MORI SUCROSE GLYCOSIDE HYDROLASE GH13 HYDROLASE
Ref.: STRUCTURE-FUNCTION ANALYSIS OF SILKWORM SUCROSE HYD UNCOVERS THE MECHANISM OF SUBSTRATE SPECIFICITY IN SUBFAMILY 17EXO-ALPHA-GLUCOSIDASES. J.BIOL.CHEM. V. 295 8784 2020
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 6LGG - GLC FRU n/a n/a
2 6LGF - GLC FRU n/a n/a
3 6LGI - BDF C6 H12 O6 C1[C@H]([C....
4 6LGD - 1AB C5 H11 N O3 C1[C@H]([C....
5 6LGB - GLC C6 H12 O6 C([C@@H]1[....
6 6LGE - BGC GLC AC1 n/a n/a
7 6LGC - NOJ C6 H13 N O4 C1[C@@H]([....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 6LGG - GLC FRU n/a n/a
2 6LGF - GLC FRU n/a n/a
3 6LGI - BDF C6 H12 O6 C1[C@H]([C....
4 6LGD - 1AB C5 H11 N O3 C1[C@H]([C....
5 6LGB - GLC C6 H12 O6 C([C@@H]1[....
6 6LGE - BGC GLC AC1 n/a n/a
7 6LGC - NOJ C6 H13 N O4 C1[C@@H]([....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 6LGG - GLC FRU n/a n/a
2 6LGF - GLC FRU n/a n/a
3 6LGI - BDF C6 H12 O6 C1[C@H]([C....
4 6LGD - 1AB C5 H11 N O3 C1[C@H]([C....
5 6LGB - GLC C6 H12 O6 C([C@@H]1[....
6 6LGE - BGC GLC AC1 n/a n/a
7 6LGC - NOJ C6 H13 N O4 C1[C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC FRU; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC FRU 1 1
2 GLC FRU GLA 0.761905 0.972973
3 FRU GLC GLA 0.5 0.921053
4 GLC FRU GLA GLA GLA 0.492958 0.921053
5 GLC FRU GLA GLA 0.492958 0.921053
6 GLC FRU FRU FRU 0.492958 0.921053
7 ZEE UEA FRU FRU FRU 0.492958 0.921053
8 GLC FRU FRU 0.457143 0.921053
9 ARA TT7 4GL 0.445783 0.744681
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC FRU; Similar ligands found: 23
No: Ligand Similarity coefficient
1 GLC Z9N 0.9697
2 MAN MAN 0.9233
3 FRU FRU 0.9109
4 MMA MAN 0.9053
5 RRY RRJ 0.9023
6 BDF GLC 0.9009
7 FRU GLC 0.8988
8 TW7 GLC 0.8931
9 GLC GLC 0.8902
10 GLA GLC 0.8842
11 ADA AQA 0.8838
12 GLC IFM 0.8831
13 4UO 0.8776
14 GLC 7LQ 0.8767
15 GAL GLA 0.8744
16 ADA ADA 0.8733
17 GLC DMJ 0.8705
18 B1T 0.8679
19 9E3 0.8670
20 GLA GLA 0.8647
21 RR7 GLC 0.8636
22 4P8 0.8619
23 CQW 0.8506
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6LGI; Ligand: BDF; 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: 6lgi.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6LGI; Ligand: BDF; 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: 6lgi.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6LGI; Ligand: FRU; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 6lgi.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5WCZ NOJ 47.099
Pocket No.: 4; Query (leader) PDB : 6LGI; Ligand: FRU; Similar sites found with APoc: 1
This union binding pocket(no: 4) in the query (biounit: 6lgi.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5WCZ NOJ 47.099
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