Receptor
PDB id Resolution Class Description Source Keywords
3HZ3 2.22 Å EC: 2.4.1.5 LACTOBACILLUS REUTERI N-TERMINALLY TRUNCATED GLUCANSUCRASE GTF180(D1025N)-SUCROSE COMPLEX LACTOBACILLUS REUTERI PROTEIN-SUCROSE COMPLEX MULTIDOMAIN PROTEIN GLYCOSYLTRANSFTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF A 117 KDA GLUCANSUCRASE FRAGME PROVIDES INSIGHT INTO EVOLUTION AND PRODUCT SPECIFI GH70 ENZYMES PROC.NATL.ACAD.SCI.USA V. 107 21406 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
GLC FRU C:1;
B: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
3KLL 2 Å EC: 2.4.1.5 CRYSTAL STRUCTURE OF LACTOBACILLUS REUTERI N-TERMINALLY TRUN GLUCANSUCRASE GTF180-MALTOSE COMPLEX LACTOBACILLUS REUTERI GLUCANSUCRASE-MALTOSE COMPLEX MULTIDOMAIN PROTEIN GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF A 117 KDA GLUCANSUCRASE FRAGME PROVIDES INSIGHT INTO EVOLUTION AND PRODUCT SPECIFI GH70 ENZYMES PROC.NATL.ACAD.SCI.USA V. 107 21406 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HZ3 - GLC FRU n/a n/a
2 3KLL - GLC GLC n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HZ3 - GLC FRU n/a n/a
2 3KLL - GLC GLC n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4TVD - GLC C6 H12 O6 C([C@@H]1[....
2 4TTU - GLC GLC n/a n/a
3 4TVC - GLC GLC GLC n/a n/a
4 3HZ3 - GLC FRU n/a n/a
5 3KLL - GLC GLC n/a n/a
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 : 3KLL; Ligand: GLC GLC; 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: 3kll.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3KLL; Ligand: GLC GLC; 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: 3kll.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3KLL; Ligand: GLC GLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3kll.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3KLL; Ligand: GLC GLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3kll.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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