Receptor
PDB id Resolution Class Description Source Keywords
4Y4V 2.04 Å NON-ENZYME: OTHER STRUCTURE OF HELICOBACTER PYLORI CSD6 IN THE D-ALA-BOUND STA HELICOBACTER PYLORI 26695 CSD6 CELL SHAPE L D-CARBOXYPEPTIDASE HELICOBACTER PYLORIFLAGELLIN PEPTIDOGLYCAN HYDROLASE
Ref.: THE CELL SHAPE-DETERMINING CSD6 PROTEIN FROM HELICO PYLORI CONSTITUTES A NEW FAMILY OF L,D-CARBOXYPEPTI J.BIOL.CHEM. V. 290 25103 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DAL A:402;
A:401;
B:402;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 224 uM
89.093 C3 H7 N O2 C[C@H...
GOL A:403;
B:401;
B:404;
B:403;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Y4V 2.04 Å NON-ENZYME: OTHER STRUCTURE OF HELICOBACTER PYLORI CSD6 IN THE D-ALA-BOUND STA HELICOBACTER PYLORI 26695 CSD6 CELL SHAPE L D-CARBOXYPEPTIDASE HELICOBACTER PYLORIFLAGELLIN PEPTIDOGLYCAN HYDROLASE
Ref.: THE CELL SHAPE-DETERMINING CSD6 PROTEIN FROM HELICO PYLORI CONSTITUTES A NEW FAMILY OF L,D-CARBOXYPEPTI J.BIOL.CHEM. V. 290 25103 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4Y4V Kd = 224 uM DAL C3 H7 N O2 C[C@H](C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4Y4V Kd = 224 uM DAL C3 H7 N O2 C[C@H](C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4Y4V Kd = 224 uM DAL C3 H7 N O2 C[C@H](C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DAL; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA 1 1
2 DAL 1 1
3 VAL 0.611111 0.882353
4 ALO 0.578947 0.789474
5 THR 0.578947 0.789474
6 HGY 0.5625 0.666667
7 ABA 0.526316 0.75
8 DBB 0.526316 0.75
9 AKB 0.526316 0.75
10 LEU 0.5 0.681818
11 ILE 0.5 0.714286
12 NVA 0.434783 0.652174
13 VAH 0.434783 0.6
14 C2N 0.428571 0.636364
15 FLA 0.428571 0.636364
16 DCY 0.428571 0.608696
17 CYS 0.428571 0.608696
18 HL5 0.407407 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4Y4V; Ligand: DAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4y4v.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4Y4V; Ligand: DAL; 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: 4y4v.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4Y4V; Ligand: DAL; 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: 4y4v.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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