Receptor
PDB id Resolution Class Description Source Keywords
1D0K 2.02 Å EC: 3.2.1.- THE ESCHERICHIA COLI LYTIC TRANSGLYCOSYLASE SLT35 IN COMPLEX MURODIPEPTIDES (GLCNAC-MURNAC-L-ALA-D-GLU) ESCHERICHIA COLI ALPHA-HELICAL PROTEIN WITH A FIVE-STRANDED ANTIPARALLEL BETAGLYCOSYLTRANSFERASE EF-HAND TRANSFERASE
Ref.: CRYSTALLOGRAPHIC STUDIES OF THE INTERACTIONS OF ESC COLI LYTIC TRANSGLYCOSYLASE SLT35 WITH PEPTIDOGLYCA BIOCHEMISTRY V. 39 1924 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:400;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
GOL A:3007;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG AMU ALA DGL A:401;
A:405;
Valid;
Valid;
none;
none;
submit data
695.652 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1D0L 1.97 Å EC: 3.2.1.- THE ESCHERICHIA COLI LYTIC TRANSGLYCOSYLASE SLT35 IN COMPLEX WITH BULGECIN A ESCHERICHIA COLI ALPHA-HELICAL PROTEIN WITH A FIVE STRANDED ANTI-PARALLEL BETA-SHEET GLYCOSYL TRANSFERASE EF-HAND
Ref.: CRYSTALLOGRAPHIC STUDIES OF THE INTERACTIONS OF ESCHERICHIA COLI LYTIC TRANSGLYCOSYLASE SLT35 WITH PEPTIDOGLYCAN. BIOCHEMISTRY V. 39 1924 2000
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1D0K - NAG AMU ALA DGL n/a n/a
2 1D0M - NAG NDG n/a n/a
3 1D0L - BLG C16 H30 N3 O14 S2 CC(=O)N[C@....
4 1QUT - NAG C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1D0K - NAG AMU ALA DGL n/a n/a
2 1D0M - NAG NDG n/a n/a
3 1D0L - BLG C16 H30 N3 O14 S2 CC(=O)N[C@....
4 1QUT - NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1D0K - NAG AMU ALA DGL n/a n/a
2 1D0M - NAG NDG n/a n/a
3 1D0L - BLG C16 H30 N3 O14 S2 CC(=O)N[C@....
4 1QUT - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG AMU ALA DGL; Similar ligands found: 43
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG AMU ALA DGL 1 1
2 NAG AMU 0.670213 0.925926
3 NAG MUB 0.670213 0.925926
4 NAG MU2 0.666667 0.981818
5 NAG ALA FGA LYS DAL DAL AMV 0.59542 0.915254
6 ALA NAG AH0 DAL 0.552632 0.87931
7 ALA DGL API DAL DAL MUB 0.48855 0.910714
8 NAG AMU NAG AMV 0.486486 0.909091
9 NAG NM9 0.47619 0.875
10 NAG AH0 0.459459 0.862069
11 NAG A2G 0.454545 0.888889
12 NAG NGA 0.454545 0.888889
13 AMU ALA GMA LYS NH2 0.452381 0.864407
14 FUC GAL NAG A2G FUC 0.444444 0.907407
15 NAG GAL FUC FUC A2G 0.444444 0.907407
16 NAG NDG 0.44 0.888889
17 CBS CBS 0.44 0.888889
18 CBS 0.44 0.888889
19 NAG GDL 0.44 0.888889
20 AMV ALA FGA LYS DAL DAL 0.430657 0.864407
21 AMU ALA GMA LYS DAL DAL NH2 0.426471 0.864407
22 3QL 0.424528 0.827586
23 NAG NAG NDG 0.423077 0.907407
24 NAG NAG NAG NDG 0.423077 0.907407
25 NDG NAG NAG NDG 0.423077 0.907407
26 NAG NAG NAG NAG NAG NAG NAG NAG 0.423077 0.907407
27 NDG NAG NAG 0.423077 0.907407
28 CTO 0.423077 0.907407
29 NDG NAG NAG NDG NAG 0.423077 0.907407
30 NAG NAG NAG 0.423077 0.907407
31 NAG NAG NAG NAG NAG 0.423077 0.907407
32 NAG NAG NAG NAG 0.423077 0.907407
33 NAG NAG NAG NAG NAG NAG 0.423077 0.907407
34 NAG NAG NAG NAG NDG NAG 0.423077 0.907407
35 NAG NAG NAG NAG NDG 0.423077 0.907407
36 NDG NAG NAG NAG 0.423077 0.907407
37 MUB ALA ZGL ALY DAL NH2 0.416058 0.836066
38 NAG BDP NAG BDP NAG BDP NAG 0.40678 0.925926
39 NAG GCU NAG GCU NAG GCU 5AX 0.40678 0.925926
40 MAN NAG 0.405941 0.833333
41 NGA GAL 0.401961 0.833333
42 NAG GAL 0.401961 0.833333
43 GAL NAG 0.401961 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1D0L; Ligand: BLG; Similar sites found: 15
This union binding pocket(no: 1) in the query (biounit: 1d0l.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CFP NAG AMU NAG AMV 0.00004343 0.45165 2.17391
2 2XQO CTR 0.0002136 0.52481 3.29218
3 1H8P PC 0.02642 0.41274 3.66972
4 3CQL NAG 0.02396 0.41466 4.11523
5 3MA0 XYP 0.03193 0.41157 4.15335
6 3W6C NAG NAG 0.00005787 0.46266 4.37158
7 5FCB AMP 0.01252 0.43096 6.21118
8 4HJY NAG NAG NAG 0.00001476 0.4635 6.79612
9 5MPQ BLG 0.0000009183 0.62194 7.14286
10 1LZR NAG NAG NAG NAG 0.002312 0.44554 7.69231
11 2VOH CIT 0.03431 0.41821 10.1911
12 2DQA NAG NAG NAG 0.02843 0.40406 16.9355
13 4HP0 NOJ NAG NAG NAG 0.0007486 0.41424 18.6047
14 5AO7 AH0 NAG 0.000000000002338 0.67799 38.8199
15 5AO7 NAG 0.000000000005734 0.65457 38.8199
Feedback