SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'IPM'


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.
1GTI_D_CCSD47_0
(GLUTATHIONE
S-TRANSFERASE)		 3vml 3-ISOPROPYLMALATE
DEHYDROGENASE
(Shewanella
benthica;
Shewanella
oneidensis) 		4 / 7 LEU A 246
GLY A 248
LEU A 138
TYR A 143
 CL  A 403 (-4.6A)
None
None
IPM  A 401 (-4.5A)
 1.03A 1gtiD-3vmlA:
undetectable		 1gtiD-3vmlA:
19.47
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.
1GTI_E_CCSE47_0
(GLUTATHIONE
S-TRANSFERASE)		 3vml 3-ISOPROPYLMALATE
DEHYDROGENASE
(Shewanella
benthica;
Shewanella
oneidensis) 		4 / 7 LEU A 246
GLY A 248
LEU A 138
TYR A 143
 CL  A 403 (-4.6A)
None
None
IPM  A 401 (-4.5A)
 1.02A 1gtiE-3vmlA:
undetectable		 1gtiE-3vmlA:
19.47
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 4y1p 3-ISOPROPYLMALATE
DEHYDROGENASE
(Sulfolobus
acidocaldarius) 		3 / 3 ARG A 117
ARG A  96
ILE A 217
 IPM  A 402 (-2.8A)
IPM  A 402 (-2.9A)
None
 0.79A 1uobA-4y1pA:
undetectable		 1uobA-4y1pA:
21.47
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.
2BXQ_A_P1ZA2002_1
(SERUM ALBUMIN)		 3vml 3-ISOPROPYLMALATE
DEHYDROGENASE
(Shewanella
benthica;
Shewanella
oneidensis) 		5 / 12 ARG A 107
ILE A 132
SER A 252
ILE A 255
ALA A 256
 IPM  A 401 (-4.5A)
None
None
None
None
 1.03A 2bxqA-3vmlA:
undetectable		 2bxqA-3vmlA:
20.84
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.
2J2P_F_SC2F1289_1
(FICOLIN-2)		 5j32 3-ISOPROPYLMALATE
DEHYDROGENASE 2,
CHLOROPLASTIC
(Arabidopsis
thaliana) 		4 / 6 ARG A 136
ASP A 292
SER A 291
SER A 306
 IPM  A 502 (-3.0A)
MG  A 501 (-2.9A)
None
None
 0.94A 2j2pD-5j32A:
undetectable
2j2pF-5j32A:
undetectable		 2j2pD-5j32A:
20.30
2j2pF-5j32A:
20.30
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.
2ZTH_A_SAMA305_1
(CATECHOL
O-METHYLTRANSFERASE)		 4y1p 3-ISOPROPYLMALATE
DEHYDROGENASE
(Sulfolobus
acidocaldarius) 		3 / 3 SER A 228
GLU A 254
ASP A 225
 None
IPM  A 402 ( 4.5A)
MG  A 401 ( 2.7A)
 0.63A 2zthA-4y1pA:
undetectable		 2zthA-4y1pA:
23.75
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.
3BWM_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 4y1p 3-ISOPROPYLMALATE
DEHYDROGENASE
(Sulfolobus
acidocaldarius) 		3 / 3 SER A 228
GLU A 254
ASP A 225
 None
IPM  A 402 ( 4.5A)
MG  A 401 ( 2.7A)
 0.61A 3bwmA-4y1pA:
undetectable		 3bwmA-4y1pA:
20.30
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.
3BWY_A_SAMA301_1
(COMT PROTEIN)		 4y1p 3-ISOPROPYLMALATE
DEHYDROGENASE
(Sulfolobus
acidocaldarius) 		3 / 3 SER A 228
GLU A 254
ASP A 225
 None
IPM  A 402 ( 4.5A)
MG  A 401 ( 2.7A)
 0.63A 3bwyA-4y1pA:
undetectable		 3bwyA-4y1pA:
20.71
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.
3IA4_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)		 1a05 3-ISOPROPYLMALATE
DEHYDROGENASE
(Acidithiobacillu
s
ferrooxidans) 		3 / 3 ARG A  95
ILE A 170
THR A 197
 IPM  A 401 (-3.2A)
None
None
 0.72A 3ia4D-1a05A:
0.0		 3ia4D-1a05A:
19.31
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.
4XUD_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 4y1p 3-ISOPROPYLMALATE
DEHYDROGENASE
(Sulfolobus
acidocaldarius) 		3 / 3 SER A 228
GLU A 254
ASP A 225
 None
IPM  A 402 ( 4.5A)
MG  A 401 ( 2.7A)
 0.60A 4xudA-4y1pA:
undetectable		 4xudA-4y1pA:
20.06
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.
5EHG_A_SAMA301_0
(RNA-DIRECTED RNA
POLYMERASE NS5)		 3vml 3-ISOPROPYLMALATE
DEHYDROGENASE
(Shewanella
benthica;
Shewanella
oneidensis) 		6 / 12 GLY A  14
GLY A  45
GLY A  75
GLY A  12
GLU A  89
ASP A  86
 None
None
None
None
IPM  A 401 ( 4.5A)
None
 1.28A 5ehgA-3vmlA:
undetectable		 5ehgA-3vmlA:
23.71
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		 1a05 3-ISOPROPYLMALATE
DEHYDROGENASE
(Acidithiobacillu
s
ferrooxidans) 		4 / 5 TYR A 140
ILE A 139
LEU A 248
GLY A 245
 IPM  A 401 (-4.5A)
None
None
None
 0.76A 5kmdC-1a05A:
0.2
5kmdD-1a05A:
undetectable		 5kmdC-1a05A:
21.49
5kmdD-1a05A:
21.49
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		 5j32 3-ISOPROPYLMALATE
DEHYDROGENASE 2,
CHLOROPLASTIC
(Arabidopsis
thaliana) 		4 / 5 TYR A 181
ILE A 180
LEU A 290
GLY A 287
 IPM  A 502 (-4.5A)
None
None
None
 0.79A 5kmdC-5j32A:
undetectable
5kmdD-5j32A:
undetectable		 5kmdC-5j32A:
22.58
5kmdD-5j32A:
22.58