Receptor
PDB id Resolution Class Description Source Keywords
4Q3R 2.17 Å EC: 3.5.3.1 CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI ARGINASE IN COMPLEX INHIBITOR ABHDP SCHISTOSOMA MANSONI ARGINASE-DEACETYLASE FOLD HYDROLASE-HYDROLASE INHIBITOR COM
Ref.: CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI ARGINASE, POTENTIAL DRUG TARGET FOR THE TREATMENT OF SCHISTOS BIOCHEMISTRY V. 53 4671 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CS B:406;
D:403;
B:404;
C:406;
A:403;
C:404;
C:403;
B:405;
A:405;
A:404;
B:403;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
132.905 Cs [Cs+]
GOL A:409;
B:411;
B:410;
A:408;
C:408;
C:409;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CL B:408;
C:405;
A:406;
B:407;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
MN D:402;
B:401;
A:402;
D:401;
A:401;
C:401;
C:402;
B:402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
XA2 C:407;
B:409;
A:407;
D:404;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 0.54 uM
434.142 C18 H28 B Cl2 N2 O5 [B-](...
PGE A:410;
Invalid;
none;
submit data
150.173 C6 H14 O4 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Q3R 2.17 Å EC: 3.5.3.1 CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI ARGINASE IN COMPLEX INHIBITOR ABHDP SCHISTOSOMA MANSONI ARGINASE-DEACETYLASE FOLD HYDROLASE-HYDROLASE INHIBITOR COM
Ref.: CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI ARGINASE, POTENTIAL DRUG TARGET FOR THE TREATMENT OF SCHISTOS BIOCHEMISTRY V. 53 4671 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 4Q3R Kd = 0.54 uM XA2 C18 H28 B Cl2 N2 O5 [B-](CCCC[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4Q3R Kd = 0.54 uM XA2 C18 H28 B Cl2 N2 O5 [B-](CCCC[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4Q3R Kd = 0.54 uM XA2 C18 H28 B Cl2 N2 O5 [B-](CCCC[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XA2; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 XA2 1 1
2 XA1 0.716216 0.968254
3 38I 0.65 0.897059
Similar Ligands (3D)
Ligand no: 1; Ligand: XA2; 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 : 4Q3R; Ligand: XA2; 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: 4q3r.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4Q3R; Ligand: XA2; 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: 4q3r.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4Q3R; Ligand: XA2; 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: 4q3r.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4Q3R; Ligand: XA2; 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: 4q3r.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4Q3R; Ligand: XA2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4q3r.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4Q3R; Ligand: XA2; 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: 4q3r.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4Q3R; Ligand: XA2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4q3r.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4Q3R; Ligand: XA2; 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: 4q3r.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4Q3R; Ligand: XA2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4q3r.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4Q3R; Ligand: XA2; 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: 4q3r.bio4) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4Q3R; Ligand: XA2; 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: 4q3r.bio4) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4Q3R; Ligand: XA2; 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: 4q3r.bio4) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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