SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3rac'

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.
1HTT_A_HISA450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		5 / 10 GLU A  95
GLN A 145
TYR A 310
TYR A 333
GLY A 348
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
 1.16A 1httA-3racA:
26.2		 1httA-3racA:
25.00
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.
1HTT_A_HISA450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		6 / 10 GLU A  95
THR A  97
GLU A 149
TYR A 310
TYR A 311
GLY A 331
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-4.5A)
None
 0.99A 1httA-3racA:
26.2		 1httA-3racA:
25.00
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.
1HTT_A_HISA450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		7 / 10 GLU A  95
THR A  97
TYR A 119
ARG A 125
GLN A 145
GLU A 149
GLY A 330
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
None
None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.5A)
 1.00A 1httA-3racA:
26.2		 1httA-3racA:
25.00
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.
1HTT_A_HISA450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		9 / 10 GLU A  95
THR A  97
TYR A 119
GLN A 145
GLU A 149
ARG A 306
TYR A 310
TYR A 311
GLY A 330
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
None
LMR  A 401 (-4.5A)
LMR  A 401 (-3.5A)
 0.62A 1httA-3racA:
26.2		 1httA-3racA:
25.00
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.
1HTT_A_HISA450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		5 / 10 TYR A 119
ARG A 125
GLN A 145
GLU A 149
TYR A 310
 None
None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
 1.34A 1httA-3racA:
26.2		 1httA-3racA:
25.00
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.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLU A  95
GLN A 145
TYR A 310
TYR A 333
GLY A 330
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-4.1A)
LMR  A 401 (-3.5A)
 1.30A 1httB-3racA:
25.8		 1httB-3racA:
25.00
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.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		8 / 12 GLU A  95
THR A  97
ARG A 125
GLN A 145
GLU A 149
ARG A 306
GLY A 330
GLY A 348
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-3.5A)
LMR  A 401 (-3.4A)
 0.95A 1httB-3racA:
25.8		 1httB-3racA:
25.00
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.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		8 / 12 GLU A  95
THR A  97
ARG A 125
GLN A 145
GLU A 149
ARG A 306
TYR A 333
GLY A 348
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
 1.03A 1httB-3racA:
25.8		 1httB-3racA:
25.00
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.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		9 / 12 GLU A  95
THR A  97
GLN A 145
GLU A 149
ARG A 306
TYR A 310
TYR A 311
GLY A 330
GLY A 348
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
None
LMR  A 401 (-4.5A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.4A)
 0.57A 1httB-3racA:
25.8		 1httB-3racA:
25.00
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.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		9 / 12 GLU A  95
THR A  97
GLN A 145
GLU A 149
ARG A 306
TYR A 310
TYR A 311
TYR A 333
GLY A 348
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
None
LMR  A 401 (-4.5A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
 0.71A 1httB-3racA:
25.8		 1httB-3racA:
25.00
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.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		9 / 12 THR A  97
GLN A 145
GLU A 149
ARG A 306
LEU A 308
TYR A 310
TYR A 311
GLY A 330
GLY A 348
 LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
None
None
LMR  A 401 (-4.5A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.4A)
 0.46A 1httB-3racA:
25.8		 1httB-3racA:
25.00
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.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		9 / 12 THR A  97
GLN A 145
GLU A 149
ARG A 306
LEU A 308
TYR A 310
TYR A 311
TYR A 333
GLY A 348
 LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
None
None
LMR  A 401 (-4.5A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
 0.63A 1httB-3racA:
25.8		 1httB-3racA:
25.00
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.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		7 / 12 THR A  97
GLU A 149
LEU A 308
TYR A 310
TYR A 311
GLY A 331
GLY A 348
 LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
None
LMR  A 401 (-4.5A)
None
LMR  A 401 (-3.4A)
 1.17A 1httB-3racA:
25.8		 1httB-3racA:
25.00
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.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		6 / 12 GLU A  95
GLN A 145
TYR A 310
TYR A 333
GLY A 330
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-4.1A)
LMR  A 401 (-3.5A)
LMR  A 401 ( 3.9A)
 1.42A 1httC-3racA:
26.3		 1httC-3racA:
25.00
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.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		11 / 12 GLU A  95
THR A  97
GLN A 145
GLU A 149
ARG A 306
LEU A 308
TYR A 310
TYR A 311
GLY A 330
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
None
None
LMR  A 401 (-4.5A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.52A 1httC-3racA:
26.3		 1httC-3racA:
25.00
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.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		11 / 12 GLU A  95
THR A  97
GLN A 145
GLU A 149
ARG A 306
LEU A 308
TYR A 310
TYR A 311
TYR A 333
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
None
None
LMR  A 401 (-4.5A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.71A 1httC-3racA:
26.3		 1httC-3racA:
25.00
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.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		8 / 12 GLU A  95
THR A  97
GLU A 149
LEU A 308
TYR A 310
TYR A 311
GLY A 331
GLY A 348
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
None
LMR  A 401 (-4.5A)
None
LMR  A 401 (-3.4A)
 1.11A 1httC-3racA:
26.3		 1httC-3racA:
25.00
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.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		8 / 12 GLU A  95
THR A  97
ARG A 125
GLN A 145
GLU A 149
GLY A 330
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.89A 1httD-3racA:
25.9		 1httD-3racA:
25.00
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.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		11 / 12 GLU A  95
THR A  97
GLN A 145
GLU A 149
ARG A 306
LEU A 308
TYR A 310
TYR A 311
GLY A 330
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
None
None
LMR  A 401 (-4.5A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.56A 1httD-3racA:
25.9		 1httD-3racA:
25.00
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.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		8 / 12 GLU A  95
THR A  97
GLU A 149
LEU A 308
TYR A 310
TYR A 311
GLY A 331
GLY A 348
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
None
LMR  A 401 (-4.5A)
None
LMR  A 401 (-3.4A)
 1.08A 1httD-3racA:
25.9		 1httD-3racA:
25.00
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.
1MJQ_B_SAMB200_0
(METHIONINE REPRESSOR)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 GLU A 354
GLU A 307
LEU A 308
GLU A  95
PRO A  94
 GOL  A 371 ( 4.8A)
None
None
LMR  A 401 (-3.4A)
None
 1.39A 1mjqA-3racA:
undetectable
1mjqB-3racA:
undetectable		 1mjqA-3racA:
13.48
1mjqB-3racA:
13.48
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.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 ASP A  65
TYR A  63
GLU A  62
 None
 0.75A 1vm1A-3racA:
undetectable		 1vm1A-3racA:
23.24
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.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 ALA A 344
ALA A 342
GLY A 111
GLY A 152
ILE A 151
 None
 1.02A 2x1lA-3racA:
undetectable		 2x1lA-3racA:
22.58
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.
2X1L_C_ADNC601_1
(METHIONYL-TRNA
SYNTHETASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 ALA A 344
ALA A 342
GLY A 111
GLY A 152
ILE A 151
 None
 1.04A 2x1lC-3racA:
undetectable		 2x1lC-3racA:
22.58
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.
3AF3_A_PAUA314_0
(PANTOTHENATE KINASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		4 / 6 TYR A 333
ARG A 332
PHE A 316
PHE A 349
 LMR  A 401 (-4.1A)
None
None
None
 1.23A 3af3A-3racA:
undetectable		 3af3A-3racA:
22.14
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 LEU A  44
GLU A 352
ILE A 327
 None
 0.57A 3czhA-3racA:
undetectable		 3czhA-3racA:
21.73
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.
3GP0_A_NILA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		4 / 7 ARG A  93
LEU A 308
LEU A 314
ILE A 151
 None
 0.89A 3gp0A-3racA:
undetectable		 3gp0A-3racA:
22.90
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.
3WIP_G_ACTG306_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 ARG A 150
ARG A 332
ASP A 158
 None
 0.99A 3wipG-3racA:
undetectable
3wipH-3racA:
undetectable		 3wipG-3racA:
19.14
3wipH-3racA:
19.14
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.
4B7N_A_ZMRA601_2
(NEURAMINIDASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 ARG A  77
ARG A  81
TRP A  79
 None
 1.14A 4b7nA-3racA:
undetectable		 4b7nA-3racA:
18.60
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.
4B7N_A_ZMRA601_2
(NEURAMINIDASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 ARG A  77
ARG A 126
TRP A  79
 None
 1.19A 4b7nA-3racA:
undetectable		 4b7nA-3racA:
18.60
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.
4PO0_A_NPSA603_1
(SERUM ALBUMIN)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		5 / 10 LEU A 237
LEU A 233
VAL A 189
LEU A 193
LEU A 207
 None
None
NA  A 402 (-4.8A)
None
None
 1.11A 4po0A-3racA:
undetectable		 4po0A-3racA:
20.60
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.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		5 / 7 THR A  97
GLU A 149
ARG A 306
GLY A 330
GLY A 348
 LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-3.5A)
LMR  A 401 (-3.4A)
 1.20A 4rdxA-3racA:
26.4		 4rdxA-3racA:
27.06
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.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		4 / 7 THR A  97
GLU A 149
GLY A 331
GLY A 348
 LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-3.4A)
 0.85A 4rdxA-3racA:
26.4		 4rdxA-3racA:
27.06
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.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		5 / 7 THR A  97
GLU A 149
TYR A 311
TYR A 333
GLY A 348
 LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-4.5A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
 1.00A 4rdxA-3racA:
26.4		 4rdxA-3racA:
27.06
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.
4XQE_A_AG2A506_1
(HOMOSPERMIDINE
SYNTHASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		4 / 6 ARG A 150
ARG A 165
ASP A 162
VAL A  48
 None
 1.35A 4xqeA-3racA:
undetectable		 4xqeA-3racA:
22.81
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.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		4 / 6 ARG A 150
ARG A 165
ASP A 162
VAL A  48
 None
 1.39A 4xqeB-3racA:
undetectable		 4xqeB-3racA:
22.81
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.
5DZK_T_BEZT801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		4 / 5 SER A 171
ALA A 170
HIS A 179
LEU A 167
 None
 1.20A 5dzkf-3racA:
undetectable
5dzkt-3racA:
undetectable		 5dzkf-3racA:
20.38
5dzkt-3racA:
4.17
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.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		6 / 12 ARG A 125
GLN A 145
GLU A 149
TYR A 310
GLY A 348
ALA A 350
 None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 1.46A 5e3iA-3racA:
25.9		 5e3iA-3racA:
24.01
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.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		6 / 12 GLU A  95
GLN A 145
TYR A 310
TYR A 333
GLY A 330
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-4.1A)
LMR  A 401 (-3.5A)
LMR  A 401 ( 3.9A)
 1.50A 5e3iA-3racA:
25.9		 5e3iA-3racA:
24.01
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.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		8 / 12 GLU A  95
THR A  97
ARG A 125
GLN A 145
GLU A 149
TYR A 333
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.91A 5e3iA-3racA:
25.9		 5e3iA-3racA:
24.01
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.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		10 / 12 GLU A  95
THR A  97
GLN A 145
GLU A 149
LEU A 308
TYR A 310
TYR A 311
GLY A 330
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
None
LMR  A 401 (-4.5A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.44A 5e3iA-3racA:
25.9		 5e3iA-3racA:
24.01
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.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		10 / 12 GLU A  95
THR A  97
GLN A 145
GLU A 149
LEU A 308
TYR A 310
TYR A 311
TYR A 333
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
None
LMR  A 401 (-4.5A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.62A 5e3iA-3racA:
25.9		 5e3iA-3racA:
24.01
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.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		6 / 12 GLU A  95
THR A  97
GLN A 145
TYR A 310
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 1.37A 5e3iA-3racA:
25.9		 5e3iA-3racA:
24.01
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.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		7 / 12 THR A  97
GLU A 149
LEU A 308
TYR A 310
TYR A 311
GLY A 331
GLY A 348
 LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
None
LMR  A 401 (-4.5A)
None
LMR  A 401 (-3.4A)
 1.14A 5e3iA-3racA:
25.9		 5e3iA-3racA:
24.01
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		6 / 11 ARG A 125
GLN A 145
GLU A 149
TYR A 310
GLY A 348
ALA A 350
 None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 1.48A 5e3iB-3racA:
26.2		 5e3iB-3racA:
24.01
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		6 / 11 GLN A 145
GLU A 149
TYR A 311
TYR A 333
GLY A 348
ALA A 350
 LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
LMR  A 401 (-4.5A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 1.18A 5e3iB-3racA:
26.2		 5e3iB-3racA:
24.01
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		8 / 11 GLU A  95
THR A  97
ARG A 125
GLN A 145
GLU A 149
TYR A 333
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.91A 5e3iB-3racA:
26.2		 5e3iB-3racA:
24.01
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		9 / 11 GLU A  95
THR A  97
GLN A 145
GLU A 149
TYR A 310
TYR A 311
GLY A 330
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-4.5A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.44A 5e3iB-3racA:
26.2		 5e3iB-3racA:
24.01
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		9 / 11 GLU A  95
THR A  97
GLN A 145
GLU A 149
TYR A 310
TYR A 311
TYR A 333
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-4.5A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.64A 5e3iB-3racA:
26.2		 5e3iB-3racA:
24.01
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		6 / 11 GLU A  95
THR A  97
GLN A 145
TYR A 310
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 1.36A 5e3iB-3racA:
26.2		 5e3iB-3racA:
24.01
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		7 / 11 GLU A  95
THR A  97
GLU A 149
TYR A 310
TYR A 311
GLY A 331
GLY A 348
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-4.5A)
None
LMR  A 401 (-3.4A)
 1.16A 5e3iB-3racA:
26.2		 5e3iB-3racA:
24.01
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.
5NN8_A_ACRA1015_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 ASP A 334
ARG A 332
ASP A 160
LEU A 284
HIS A 185
 None
 1.49A 5nn8A-3racA:
undetectable		 5nn8A-3racA:
18.16
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.
5O4Y_D_CCSD14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2
PROGRAMMED CELL
DEATH 1 LIGAND 1)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A 336
ARG A 150
GLY A 348
VAL A 347
ARG A 332
 None
None
LMR  A 401 (-3.4A)
None
None
 1.32A 5o4yD-3racA:
undetectable
5o4yE-3racA:
undetectable		 5o4yD-3racA:
4.00
5o4yE-3racA:
15.65
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.
5Z6J_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3rac HISTIDINE-TRNA
LIGASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 MET A 161
ASP A 290
ARG A 251
 None
 1.15A 5z6jA-3racA:
undetectable		 5z6jA-3racA:
19.29