Receptor
PDB id Resolution Class Description Source Keywords
2IXU 2.28 Å EC: 3.2.1.17 CRYSTAL STRUCTURE OF THE MODULAR CPL-1 ENDOLYSIN COMPLEXED W PEPTIDOGLYCAN ANALOGUE (WILD-TYPE ENDOLYSIN) STREPTOCOCCUS PHAGE CP-1 ANTIMICROBIAL MUEIN HYDROLASE BACTERIOLYTIC ENZYME PNEUMOCELL WALL DEGRADATION LYSOZYME HYDROLASE GLYCOSIDASE MULTIMODULAR
Ref.: ELUCIDATION OF THE MOLECULAR RECOGNITION OF BACTERI WALL BY MODULAR PNEUMOCOCCAL PHAGE ENDOLYSIN CPL-1. J.BIOL.CHEM. V. 282 24990 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMT A:401;
 Invalid;
 none;
 submit data
46.025 C H2 O2 C(=O)...
MUB ALA NAG ZGL B:1;
 Valid;
 none;
 submit data
694.668 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OBA 2.45 Å EC: 3.2.1.17 MULTIMODULAR PNEUMOCOCCAL CELL WALL ENDOLYSIN FROM PHAGE CP-1 COMPLEXED WITH CHOLINE BACTERIOPHAGE CP-1 HYDROLASE MUREIN HYDROLASE CHOLINE LYSOZYME MULTIMODULAR PHAGE CP- 1 LYSIN PNEUMOCOCCAL CELL WALL DEGRADATION HYDROLASE GLYCOSIDASE BACTERILYTIC ENZYME
Ref.: STRUCTURAL BASIS FOR SELECTIVE RECOGNITION OF PNEUMOCOCCAL CELL WALL BY MODULAR ENDOLYSIN FROM PHAGE CP-1. STRUCTURE V. 11 1239 2003
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 1OBA Kd = 3.6 mM CHT C5 H14 N O C[N+](C)(C....
2 2IXV - MUB ALA NAG DGN n/a n/a
3 2IXU - MUB ALA NAG ZGL n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 1OBA Kd = 3.6 mM CHT C5 H14 N O C[N+](C)(C....
2 2IXV - MUB ALA NAG DGN n/a n/a
3 2IXU - MUB ALA NAG ZGL n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1OBA Kd = 3.6 mM CHT C5 H14 N O C[N+](C)(C....
2 2IXV - MUB ALA NAG DGN n/a n/a
3 2IXU - MUB ALA NAG ZGL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MUB ALA NAG ZGL; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 MUB ALA NAG ZGL 1 1
2 AMU ALA NAG DGL 0.863158 0.981818
3 MUB ALA NAG DGN 0.808081 1
4 MUB ALA NAG GLN 0.754902 0.981818
5 AMU NAG 0.666667 0.909091
6 3LT 0.578431 0.927273
7 ALA FGA LYS DAL DAL AMV NAG 0.554688 0.916667
8 NM9 NAG 0.53 0.892857
9 DGN ALA NDG LAC 0.523364 0.945455
10 ALA NAG AH0 DAL 0.522124 0.864407
11 AMV NAG AMU NAG 0.495413 0.892857
12 AMU ALA GMA LYS NH2 0.487603 0.881356
13 NAG GAL FUC FUC A2G 0.464912 0.890909
14 A2G NAG 0.463918 0.872727
15 AMU ALA GMA LYS DAL DAL NH2 0.460938 0.881356
16 MUB ALA ZGL ALY DAL NH2 0.457364 0.852459
17 MLD 0.453901 0.885246
18 NAG FUC GAL FUC A2G 0.452174 0.890909
19 GDL NAG 0.44898 0.872727
20 NAG NAG NAG NAG NAG NAG NAG NAG 0.445545 0.890909
21 NDG NAG NAG NAG NAG 0.445545 0.890909
22 NAG NAG NAG NAG NAG NAG 0.445545 0.890909
23 NAG NAG NAG NAG NAG 0.445545 0.890909
24 NAG AH0 0.428571 0.847458
25 ALA FGA API DAL DAL MUB 0.427481 0.912281
26 NAG GAL NAG 0.416667 0.872727
27 MAN NAG 0.414141 0.818182
28 NAG BDP NAG BDP NAG BDP NAG 0.413793 0.909091
29 NAG AH0 ALA DGL API DAL DAL 0.413333 0.873016
30 3QL 0.40566 0.813559
31 BGC GAL NGA 0.40566 0.818182
32 MBG A2G 0.401961 0.821429
33 Z4S NAG NAG 0.401786 0.830508
34 BGC FUC GAL FUC A2G 0.401709 0.854545
Similar Ligands (3D)
Ligand no: 1; Ligand: MUB ALA NAG ZGL; 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 : 1OBA; Ligand: CHT; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 1oba.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 6JYX CHT 22.1122
2 6JYX CHT 22.1122
3 6JYX CHT 22.1122
Pocket No.: 2; Query (leader) PDB : 1OBA; Ligand: CHT; 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: 1oba.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
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