Receptor
PDB id Resolution Class Description Source Keywords
6ZJU 1.75 Å EC: 3.2.1.23 COLD-ADAPTED BETA-D-GALACTOSIDASE FROM ARTHROBACTER SP. 32CB E441Q IN COMPLEX WITH SACCHAROSE ARTHROBACTER SP. 32CB GALACTOSIDASE COLD-ADAPTED PSYCHROPHILIC DIMERIC MUTANTFUNCTION HYDROLASE
Ref.: MAPPING THE TRANSGLYCOSYLATION RELEVANT SITES OF COLD-ADAPTED BETA-D-GALACTOSIDASE FROMARTHROBACTERS INT J MOL SCI V. 21 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:1109;
A:1111;
A:1110;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
22.99 Na [Na+]
ACT A:1108;
A:1105;
A:1104;
A:1106;
A:1107;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
GLC FRU D:1;
C:1;
B:1;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
340.281 n/a O=CC1...
MLI A:1112;
 Invalid;
 none;
 submit data
102.046 C3 H2 O4 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6ZJS 1.5 Å EC: 3.2.1.23 COLD-ADAPTED BETA-D-GALACTOSIDASE FROM ARTHROBACTER SP. 32CB E441Q IN COMPLEX WITH GALACTOSE ARTHROBACTER SP. 32CB GALACTOSIDASE COLD-ADAPTED PSYCHROPHILIC DIMERIC MUTANTFUNCTION HYDROLASE GALACTOSE COMPLEX
Ref.: MAPPING THE TRANSGLYCOSYLATION RELEVANT SITES OF COLD-ADAPTED BETA-D-GALACTOSIDASE FROMARTHROBACTERS INT J MOL SCI V. 21 2020
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 6ZJX - GLC FRU n/a n/a
2 6SED - GAL C6 H12 O6 C([C@@H]1[....
3 6ZJS - GAL C6 H12 O6 C([C@@H]1[....
4 6SE9 - FRU C6 H12 O6 C([C@@H]1[....
5 6SEB - IPT C9 H18 O5 S CC(C)S[C@H....
6 6ZJR - FRU GAL n/a n/a
7 6ZJU - GLC FRU n/a n/a
8 6ZJT - GAL C6 H12 O6 C([C@@H]1[....
9 6ZJW - GAL C6 H12 O6 C([C@@H]1[....
10 6SEA - GAL C6 H12 O6 C([C@@H]1[....
11 6ZJQ - GAL C6 H12 O6 C([C@@H]1[....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 6ZJX - GLC FRU n/a n/a
2 6SED - GAL C6 H12 O6 C([C@@H]1[....
3 6ZJS - GAL C6 H12 O6 C([C@@H]1[....
4 6SE9 - FRU C6 H12 O6 C([C@@H]1[....
5 6SEB - IPT C9 H18 O5 S CC(C)S[C@H....
6 6ZJR - FRU GAL n/a n/a
7 6ZJU - GLC FRU n/a n/a
8 6ZJT - GAL C6 H12 O6 C([C@@H]1[....
9 6ZJW - GAL C6 H12 O6 C([C@@H]1[....
10 6SEA - GAL C6 H12 O6 C([C@@H]1[....
11 6ZJQ - GAL C6 H12 O6 C([C@@H]1[....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 6ZJX - GLC FRU n/a n/a
2 6SED - GAL C6 H12 O6 C([C@@H]1[....
3 6ZJS - GAL C6 H12 O6 C([C@@H]1[....
4 6SE9 - FRU C6 H12 O6 C([C@@H]1[....
5 6SEB - IPT C9 H18 O5 S CC(C)S[C@H....
6 6ZJR - FRU GAL n/a n/a
7 6ZJU - GLC FRU n/a n/a
8 6ZJT - GAL C6 H12 O6 C([C@@H]1[....
9 6ZJW - GAL C6 H12 O6 C([C@@H]1[....
10 6SEA - GAL C6 H12 O6 C([C@@H]1[....
11 6ZJQ - GAL C6 H12 O6 C([C@@H]1[....
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 : 6ZJS; Ligand: GAL; 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: 6zjs.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6ZJS; Ligand: GAL; 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: 6zjs.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6ZJS; Ligand: GAL; 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: 6zjs.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6ZJS; Ligand: GAL; 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: 6zjs.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6ZJS; Ligand: GAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6zjs.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6ZJS; Ligand: GAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 6zjs.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 6ZJS; Ligand: GAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 6zjs.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 6ZJS; Ligand: GAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 6zjs.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 6ZJS; Ligand: GAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 6zjs.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 6ZJS; Ligand: GAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 6zjs.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 6ZJS; Ligand: GAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 6zjs.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 6ZJS; Ligand: GAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 6zjs.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 6ZJS; Ligand: GAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 6zjs.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 6ZJS; Ligand: GAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 6zjs.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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