Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ABH A:551;
Valid;
none;
Kd = 11 uM
191.998 C6 H15 B N O5 [B-](...
BME A:414;
Invalid;
none;
submit data
78.133 C2 H6 O S C(CS)...
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: ABH; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 ABH 1 1
2 DHH 0.527778 0.666667
3 NPI 0.513514 0.625
4 6HN 0.475 0.62
5 UN1 0.459459 0.6
6 11C 0.459459 0.6
7 5OY 0.435897 0.853659
8 2JJ 0.435897 0.853659
Similar Ligands (3D)
Ligand no: 1; Ligand: ABH; Similar ligands found: 44
No: Ligand Similarity coefficient
1 ARG 0.9712
2 5AB 0.9711
3 S2C 0.9679
4 EXY 0.9664
5 MLY 0.9620
6 HAR 0.9597
7 M3L 0.9458
8 DAR 0.9419
9 CIR 0.9394
10 4JK 0.9382
11 FB6 0.9333
12 26P 0.9270
13 MLZ 0.9249
14 API 0.9236
15 RGP 0.9193
16 R10 0.9173
17 PML 0.9159
18 GVA 0.9072
19 NOT 0.9034
20 Z70 0.9014
21 NNH 0.9012
22 PMV 0.8985
23 KPV 0.8984
24 DA2 0.8976
25 3KJ 0.8970
26 TEG 0.8913
27 ALY 0.8895
28 SB7 0.8882
29 SLZ 0.8854
30 MF3 0.8844
31 A5P 0.8833
32 1HS 0.8812
33 ENV 0.8806
34 HE8 0.8798
35 1PS 0.8774
36 0L1 0.8721
37 TBJ 0.8716
38 LYS 0.8708
39 DER 0.8658
40 PC 0.8629
41 1OV 0.8609
42 4U7 0.8604
43 5TO 0.8536
44 S7D 0.8528
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
APoc FAQ
Feedback