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Receptor
PDB id Resolution Class Description Source Keywords
3SL1 1.9 Å EC: 3.5.3.1 CRYSTAL STRUCTURE OF P. FALCIPARUM ARGINASE COMPLEXED WITH 2 BORONO-2-METHYLHEXANOIC 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
FB6 A:414;
Valid;
none;
submit data
189.017 C7 H16 B 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 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@@....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 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 3 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
Ligand no: 1; Ligand: FB6; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 FB6 1 1
2 5AB 0.512195 0.931818
3 FB5 0.511628 0.840909
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: 19
This union binding pocket(no: 2) in the query (biounit: 3mmr.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4L80 OXL 1.43678
2 5HMY LNY 1.93705
3 4L9Z OXL 2.0649
4 5K5M 68T 2.42131
5 1V59 FAD 2.66344
6 5HRA DAS 3.40426
7 4URN NOV 4.44444
8 3WFD AXO 4.79452
9 5AB1 BCD TA5 HP6 MAN 4.84262
10 4WXJ GLU 6.69145
11 5X2Z 3LM 6.78392
12 3KL3 GCU 6.98254
13 5ECP GSH 7.62332
14 3VC1 GST 8.01282
15 3VC1 SAH 8.01282
16 4FE2 ASP 9.01961
17 3RMK BML 12.0482
18 5D48 L96 13.8158
19 1WOG 16D 26.2295
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: 1
This union binding pocket(no: 7) in the query (biounit: 3mmr.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5JJR 68E 7.26392
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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