Receptor
PDB id Resolution Class Description Source Keywords
2IXV 1.96 Å EC: 3.2.1.17 CRYSTAL STRUCTURE OF THE MODULAR CPL-1 ENDOLYSIN COMPLEXED W PEPTIDOGLYCAN ANALOGUE (E94Q MUTANT) 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 DGN B:1;
 Valid;
 none;
 submit data
694.668 n/a O=C([...
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 DGN; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 MUB ALA NAG DGN 1 1
2 AMU ALA NAG DGL 0.893617 0.981818
3 MUB ALA NAG GLN 0.818182 0.981818
4 MUB ALA NAG ZGL 0.808081 1
5 AMU NAG 0.677419 0.909091
6 DGN ALA NDG LAC 0.673469 0.945455
7 ALA FGA LYS DAL DAL AMV NAG 0.612903 0.916667
8 ALA NAG AH0 DAL 0.530973 0.864407
9 AMV NAG AMU NAG 0.518519 0.892857
10 NM9 NAG 0.509804 0.892857
11 3LT 0.5 0.927273
12 ALA FGA API DAL DAL MUB 0.480315 0.912281
13 NAG GAL FUC FUC A2G 0.46087 0.890909
14 GDL NAG 0.459184 0.872727
15 A2G NAG 0.459184 0.872727
16 NAG NAG NAG NAG NAG NAG NAG NAG 0.455446 0.890909
17 NDG NAG NAG NAG NAG 0.455446 0.890909
18 NAG NAG NAG NAG NAG NAG 0.455446 0.890909
19 NAG NAG NAG NAG NAG 0.455446 0.890909
20 MLD 0.450704 0.885246
21 NAG FUC GAL FUC A2G 0.448276 0.890909
22 AMV ALA FGA LYS DAL DAL 0.446154 0.866667
23 NAG AH0 0.4375 0.847458
24 AMU ALA GMA LYS NH2 0.425197 0.881356
25 NAG AH0 ALA DGL API DAL DAL 0.42 0.873016
26 AH0 ALA FGA LYS 0.417323 0.84127
27 BGC GAL NGA 0.415094 0.818182
28 NAG GAL NAG 0.412844 0.872727
29 MBG A2G 0.411765 0.821429
30 MAN NAG 0.41 0.818182
31 BMA MAN NAG 0.40367 0.818182
32 NAG NAG BMA MAN NAG 0.403361 0.890909
33 AMU ALA GMA LYS DAL DAL NH2 0.402985 0.881356
34 MUB ALA ZGL ALY DAL NH2 0.4 0.852459
Similar Ligands (3D)
Ligand no: 1; Ligand: MUB ALA NAG DGN; 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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