Receptor
PDB id Resolution Class Description Source Keywords
6ZJR 2 Å EC: 3.2.1.23 COLD-ADAPTED BETA-D-GALACTOSIDASE FROM ARTHROBACTER SP. 32CB E517Q IN COMPLEX WITH LACTULOSE ARTHROBACTER SP. 32CB GALACTOSIDASE COLD-ADAPTED PSYCHROPHILIC DIMERIC MUTANTFUNCTION HYDROLASE LACTULOSE GOS
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:1101;
A:1102;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
FRU GAL C:1;
B:1;
 Valid;
Valid;
 none;
none;
 submit data
n/a n/a
ACT A:1108;
A:1109;
A:1106;
A:1111;
A:1107;
A:1110;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
MLI A:1103;
 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: FRU GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: FRU GAL; Similar ligands found: 50
No: Ligand Similarity coefficient
1 FRU GAL 1.0000
2 GLC GAL 0.9492
3 BGC GAL 0.9422
4 BMA GAL 0.9350
5 BGC BGC 0.9200
6 NOY BGC 0.9189
7 MGL GAL 0.9157
8 GAL NGT 0.9151
9 NGT GAL 0.9148
10 GLC BGC 0.9142
11 ABL 0.9137
12 BMA BGC 0.9134
13 GLO BGC 0.9118
14 NOK GAL 0.9100
15 PA1 GCS 0.9092
16 GAL GLA 0.9079
17 GAL NOK 0.9055
18 YIO GAL 0.9055
19 GCS GCS 0.9051
20 FRU BMA 0.9039
21 9MR 0.9009
22 SHG BGC 0.9001
23 GLC GLC 0.8991
24 BGC OXZ 0.8987
25 FUC GAL 0.8976
26 NAG GAL 0.8956
27 BGC Z9D 0.8952
28 GAL GAL 0.8948
29 BMA BMA 0.8943
30 4WS GAL 0.8932
31 IFM BGC 0.8931
32 GAL GC2 0.8929
33 SGC BGC 0.8913
34 GCO GAL 0.8859
35 NDG GAL 0.8851
36 ISX 0.8841
37 145 0.8796
38 MAN BMA 0.8796
39 NGA GAL 0.8776
40 A2G GAL 0.8760
41 MBG GAL 0.8750
42 MGL SGC 0.8727
43 UKV 0.8698
44 6EN 0.8695
45 GCU BGC 0.8686
46 43S 0.8684
47 DTK 0.8636
48 LOG GAL 0.8617
49 MGC GAL 0.8600
50 MHD GAL 0.8583
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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