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Receptor
PDB id Resolution Class Description Source Keywords
1H8G 2.4 Å EC: 3.5.1.28 C-TERMINAL DOMAIN OF THE MAJOR AUTOLYSIN (C-LYTA) FROM STREPTOCOCCUS PNEUMONIAE STREPTOCOCCUS PNEUMONIAE CHOLINE-BINDING DOMAIN CELL WALL ATTACHMENT
Ref.: A NOVEL SOLENOID FOLD IN THE CELL WALL ANCHORING DOMAIN OF THE PNEUMOCOCCAL VIRULENCE FACTOR LYTA NAT.STRUCT.BIOL. V. 8 1020 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CHT A:401;
A:402;
A:403;
B:404;
B:405;
B:406;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
104.171 C5 H14 N O C[N+]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H8G 2.4 Å EC: 3.5.1.28 C-TERMINAL DOMAIN OF THE MAJOR AUTOLYSIN (C-LYTA) FROM STREPTOCOCCUS PNEUMONIAE STREPTOCOCCUS PNEUMONIAE CHOLINE-BINDING DOMAIN CELL WALL ATTACHMENT
Ref.: A NOVEL SOLENOID FOLD IN THE CELL WALL ANCHORING DOMAIN OF THE PNEUMOCOCCAL VIRULENCE FACTOR LYTA NAT.STRUCT.BIOL. V. 8 1020 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1H8G - CHT C5 H14 N O C[N+](C)(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1H8G - CHT C5 H14 N O C[N+](C)(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1H8G - CHT C5 H14 N O C[N+](C)(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CHT; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 CHT 1 1
2 ETM 0.411765 0.78125
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H8G; Ligand: CHT; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1h8g.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
1 4CNL CHT 33.6842
Pocket No.: 2; Query (leader) PDB : 1H8G; 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: 1h8g.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1H8G; 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: 3) in the query (biounit: 1h8g.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1H8G; 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: 4) in the query (biounit: 1h8g.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1H8G; Ligand: CHT; Similar sites found with APoc: 13
This union binding pocket(no: 5) in the query (biounit: 1h8g.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 4INW 1EY None
2 3VHH VHH None
3 3R5W F42 2.10526
4 6C7D EOJ 4.21053
5 3LL5 ADP 4.21053
6 3LL5 IPE 4.21053
7 5A6B OAN 6.31579
8 1SO2 666 6.31579
9 2GV8 NDP 6.31579
10 1S8G DAO 6.31579
11 3I6I NDP 9.47368
12 3R5Y F42 14.7368
13 2V05 CHT 43.1579
Pocket No.: 6; Query (leader) PDB : 1H8G; 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: 6) in the query (biounit: 1h8g.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1H8G; Ligand: CHT; Similar sites found with APoc: 1
This union binding pocket(no: 7) in the query (biounit: 1h8g.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOY BHO 22.1053
Pocket No.: 8; Query (leader) PDB : 1H8G; 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: 8) in the query (biounit: 1h8g.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1H8G; Ligand: CHT; Similar sites found with APoc: 1
This union binding pocket(no: 9) in the query (biounit: 1h8g.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 2WW5 CHT 46.3158
Pocket No.: 10; Query (leader) PDB : 1H8G; 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: 10) in the query (biounit: 1h8g.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1H8G; 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: 11) in the query (biounit: 1h8g.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1H8G; 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: 12) in the query (biounit: 1h8g.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
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