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 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: FB6; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 FB6 1 1
2 MK8 0.513514 0.651163
3 5AB 0.512195 0.931818
4 FB5 0.511628 0.840909
Similar Ligands (3D)
Ligand no: 1; Ligand: FB6; Similar ligands found: 62
No: Ligand Similarity coefficient
1 NPI 0.9451
2 ARG 0.9418
3 CIR 0.9385
4 HAR 0.9352
5 ABH 0.9333
6 MLY 0.9333
7 MLZ 0.9292
8 EXY 0.9281
9 API 0.9279
10 JX7 0.9232
11 26P 0.9200
12 6HN 0.9151
13 M3L 0.9127
14 GGB 0.9120
15 DAR 0.9093
16 KPC 0.9080
17 PML 0.9076
18 DHH 0.9048
19 L06 0.9041
20 HRG 0.9032
21 2NP 0.9021
22 NNH 0.9021
23 WT2 0.8995
24 S2C 0.8992
25 ZZU 0.8984
26 4U7 0.8969
27 LUQ 0.8957
28 ILO 0.8949
29 2OR 0.8949
30 IAR 0.8947
31 LPA 0.8946
32 G3M 0.8934
33 4JK 0.8932
34 HE8 0.8929
35 NMM 0.8925
36 FXY 0.8909
37 NOT 0.8894
38 RGP 0.8890
39 1HS 0.8866
40 AHL 0.8859
41 DA2 0.8853
42 2JJ 0.8831
43 DDK 0.8815
44 LYS 0.8805
45 ALY 0.8789
46 AHN 0.8713
47 Z70 0.8703
48 SLZ 0.8700
49 6C4 0.8692
50 R10 0.8688
51 MF3 0.8680
52 LYN 0.8676
53 SNR 0.8676
54 9J6 0.8665
55 DDW 0.8636
56 LPB 0.8631
57 2FM 0.8631
58 FOM 0.8630
59 IJ6 0.8588
60 DHM 0.8588
61 5LD 0.8565
62 DNN 0.8562
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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