Receptor
PDB id Resolution Class Description Source Keywords
3SL0 2 Å EC: 3.5.3.1 CRYSTAL STRUCTURE OF P. FALCIPARUM ARGINASE COMPLEXED WITH 2 BORONO-2-(DIFLUOROMETHYL)HEXANOIC ACID PLASMODIUM FALCIPARUM METALLOHYDROLASE ARGINASE FOLD HYDROLASE-HYDROLASE INHIBITCOMPLEX
Ref.: BINDING OF ALPHA,ALPHA-DISUBSTITUTED AMINO ACIDS TO SUGGESTS NEW AVENUES FOR INHIBITOR DESIGN J.MED.CHEM. 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FB5 A:414;
 Valid;
 none;
 submit data
224.998 C7 H14 B F2 N O4 B(CCC...
MN A:412;
A:413;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MMR 2.14 Å EC: 3.5.3.1 STRUCTURE OF PLASMODIUM FALCIPARUM ARGINASE IN COMPLEX WITH PLASMODIUM FALCIPARUM 3D7 MALARIA ABH LCR PARASITE L-ARGININE BORONIC ACID METALLOHYDROLASE BINUCLEAR MANGANESE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF ARGINASE FROM PLASMODIUM FALCI IMPLICATIONS FOR L-ARGININE DEPLETION IN MALARIAL I . BIOCHEMISTRY V. 49 5600 2010
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3SL1 - FB6 C7 H16 B N O4 B(CCCCC(C)....
2 3MMR Kd = 11 uM ABH C6 H15 B N O5 [B-](CCCC[....
3 3SL0 - FB5 C7 H14 B F2 N O4 B(CCCC[C@@....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3SL1 - FB6 C7 H16 B N O4 B(CCCCC(C)....
2 3MMR Kd = 11 uM ABH C6 H15 B N O5 [B-](CCCC[....
3 3SL0 - FB5 C7 H14 B F2 N O4 B(CCCC[C@@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3SL1 - FB6 C7 H16 B N O4 B(CCCCC(C)....
2 3MMR Kd = 11 uM ABH C6 H15 B N O5 [B-](CCCC[....
3 3SL0 - FB5 C7 H14 B F2 N O4 B(CCCC[C@@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FB5; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 FB5 1 1
2 DMO 0.55 0.674419
3 4U7 0.545455 0.930233
4 FB6 0.511628 0.840909
Similar Ligands (3D)
Ligand no: 1; Ligand: FB5; Similar ligands found: 13
No: Ligand Similarity coefficient
1 5AB 0.8980
2 PCX 0.8900
3 HE8 0.8894
4 028 0.8882
5 DDW 0.8845
6 ARG 0.8829
7 NRD 0.8810
8 DDK 0.8796
9 L06 0.8755
10 NPI 0.8724
11 DTB 0.8629
12 DHH 0.8589
13 1EC 0.8560
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MMR; Ligand: ABH; 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: 3mmr.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3MMR; Ligand: ABH; 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: 3mmr.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3MMR; Ligand: ABH; 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: 3mmr.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3MMR; Ligand: ABH; 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: 3mmr.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3MMR; Ligand: ABH; 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: 3mmr.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3MMR; Ligand: ABH; 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: 3mmr.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3MMR; Ligand: ABH; 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: 3mmr.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3MMR; Ligand: ABH; 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: 3mmr.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3MMR; Ligand: ABH; 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: 3mmr.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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