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...
AMU ALA NAG DGL C:1;
 Valid;
 none;
 submit data
694.644 n/a O=C([...
AMU NAG ALA DGL B:1;
 Valid;
 none;
 submit data
n/a n/a
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 17 families.
1 1D0K - AMU ALA NAG DGL n/a n/a
2 1D0M - NDG NAG 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 17 families.
1 1D0K - AMU ALA NAG DGL n/a n/a
2 1D0M - NDG NAG 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 - AMU ALA NAG DGL n/a n/a
2 1D0M - NDG NAG 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 (2D)
Ligand no: 1; Ligand: AMU ALA NAG DGL; Similar ligands found: 36
No: Ligand ECFP6 Tc MDL keys Tc
1 AMU ALA NAG DGL 1 1
2 MUB ALA NAG DGN 0.893617 0.981818
3 MUB ALA NAG ZGL 0.863158 0.981818
4 MUB ALA NAG GLN 0.835052 1
5 AMU NAG 0.692308 0.925926
6 ALA FGA LYS DAL DAL AMV NAG 0.622951 0.9
7 DGN ALA NDG LAC 0.588235 0.927273
8 ALA NAG AH0 DAL 0.540541 0.87931
9 AMV NAG AMU NAG 0.514019 0.909091
10 NM9 NAG 0.504951 0.875
11 3LT 0.495327 0.909091
12 ALA FGA API DAL DAL MUB 0.488 0.894737
13 NAG GAL FUC FUC A2G 0.469027 0.907407
14 A2G NAG 0.46875 0.888889
15 NAG FUC GAL FUC A2G 0.45614 0.907407
16 GDL NAG 0.453608 0.888889
17 AMV ALA FGA LYS DAL DAL 0.453125 0.85
18 NAG NAG NAG NAG NAG NAG NAG NAG 0.45 0.907407
19 NDG NAG NAG NAG NAG 0.45 0.907407
20 NAG NAG NAG NAG NAG NAG 0.45 0.907407
21 NAG NAG NAG NAG NAG 0.45 0.907407
22 MLD 0.446809 0.868852
23 NAG AH0 0.445455 0.862069
24 NAG AH0 ALA DGL API DAL DAL 0.425676 0.857143
25 AH0 ALA FGA LYS 0.424 0.825397
26 AMU ALA GMA LYS NH2 0.420635 0.864407
27 NAG GAL NAG 0.420561 0.888889
28 MAN NAG 0.418367 0.833333
29 NAG BDP NAG BDP NAG BDP NAG 0.417391 0.925926
30 3QL 0.409524 0.827586
31 BGC GAL NGA 0.409524 0.833333
32 MBG A2G 0.405941 0.836364
33 Z4S NAG NAG 0.405405 0.844828
34 BGC FUC GAL FUC A2G 0.405172 0.87037
35 NDG NAG 0.401961 0.907407
36 GAL NGA 0.401961 0.818182
Ligand no: 2; Ligand: AMU NAG ALA DGL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: AMU ALA NAG DGL; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: AMU NAG ALA DGL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1D0L; Ligand: BLG; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1d0l.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5AO7 AH0 NAG 38.8199
2 5AO7 NAG 38.8199
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