SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3jwp'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Dali
Z-score
Seq.
Identity (%)
View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)
3jwp TRANSCRIPTIONAL
REGULATORY PROTEIN
SIR2 HOMOLOGUE

(Plasmodium
falciparum)
5 / 12 ILE A 224
LEU A  26
THR A 229
ILE A 231
THR A  31
None
None
AMP  A 266 ( 4.9A)
None
None
1.17A 1ddsA-3jwpA:
undetectable
1ddsA-3jwpA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N49_D_RITD401_2
(PROTEASE)
3jwp TRANSCRIPTIONAL
REGULATORY PROTEIN
SIR2 HOMOLOGUE

(Plasmodium
falciparum)
4 / 6 ASP A 109
GLY A 125
ILE A 171
ILE A  73
None
0.93A 1n49D-3jwpA:
undetectable
1n49D-3jwpA:
15.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)
3jwp TRANSCRIPTIONAL
REGULATORY PROTEIN
SIR2 HOMOLOGUE

(Plasmodium
falciparum)
4 / 7 SER A  32
ILE A  37
ASN A 107
ASP A 109
None
0.37A 1yc5A-3jwpA:
19.9
1yc5A-3jwpA:
31.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)
3jwp TRANSCRIPTIONAL
REGULATORY PROTEIN
SIR2 HOMOLOGUE

(Plasmodium
falciparum)
5 / 12 THR A  27
THR A 200
GLY A 199
GLY A  30
LEU A 247
None
AMP  A 266 (-4.4A)
AMP  A 266 (-3.5A)
AMP  A 266 (-3.2A)
None
1.05A 2uvnA-3jwpA:
undetectable
2uvnA-3jwpA:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW3_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)
3jwp TRANSCRIPTIONAL
REGULATORY PROTEIN
SIR2 HOMOLOGUE

(Plasmodium
falciparum)
5 / 10 GLU A  95
LEU A 100
ILE A 198
LEU A 247
THR A 118
None
1.12A 3jw3A-3jwpA:
2.0
3jw3A-3jwpA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_B_SAMB401_0
(MNMC2)
3jwp TRANSCRIPTIONAL
REGULATORY PROTEIN
SIR2 HOMOLOGUE

(Plasmodium
falciparum)
5 / 12 HIS A  88
GLY A  28
GLY A  30
ALA A 207
LEU A  26
None
AMP  A 266 ( 4.0A)
AMP  A 266 (-3.2A)
None
None
1.10A 3vywB-3jwpA:
undetectable
3vywB-3jwpA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WDM_C_ADNC301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)
3jwp TRANSCRIPTIONAL
REGULATORY PROTEIN
SIR2 HOMOLOGUE

(Plasmodium
falciparum)
5 / 9 ALA A 251
LEU A 196
LEU A  91
ASN A  86
ILE A 198
None
1.18A 3wdmC-3jwpA:
9.7
3wdmC-3jwpA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_E_Z80E401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)
3jwp TRANSCRIPTIONAL
REGULATORY PROTEIN
SIR2 HOMOLOGUE

(Plasmodium
falciparum)
5 / 12 ILE A 121
VAL A 104
ASN A 209
ILE A 189
ALA A 190
None
0.91A 5lg3E-3jwpA:
undetectable
5lg3E-3jwpA:
20.41