SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1qe0'

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.
1DTL_A_BEPA206_1
(CARDIAC TROPONIN C)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
4 / 8 GLN A 126
GLU A 130
GLU A  44
MET A 110
None
1.05A 1dtlA-1qe0A:
undetectable
1dtlA-1qe0A:
19.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_A_HISA450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
6 / 10 GLU A  80
THR A  82
ARG A 112
GLN A 126
GLU A 130
GLY A 286
None
0.82A 1httA-1qe0A:
33.8
1httA-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_A_HISA450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
6 / 10 GLU A  80
THR A  82
ARG A 112
GLU A 130
TYR A 262
GLY A 286
None
0.99A 1httA-1qe0A:
33.8
1httA-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_A_HISA450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 10 GLU A  80
THR A  82
TYR A 106
GLN A 126
GLY A 286
None
0.87A 1httA-1qe0A:
33.8
1httA-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_A_HISA450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 10 GLU A  80
THR A  82
TYR A 106
TYR A 262
GLY A 286
None
0.86A 1httA-1qe0A:
33.8
1httA-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_A_HISA450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 10 THR A  82
GLU A 130
ARG A 257
TYR A 262
GLY A 286
None
1.17A 1httA-1qe0A:
33.8
1httA-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_A_HISA450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 10 THR A  82
GLU A 130
ARG A 257
TYR A 262
GLY A 287
None
0.89A 1httA-1qe0A:
33.8
1httA-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_A_HISA450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 10 THR A  82
TYR A 106
ARG A 257
TYR A 262
GLY A 286
None
1.18A 1httA-1qe0A:
33.8
1httA-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
8 / 12 GLU A  80
THR A  82
ARG A 112
GLN A 126
GLU A 130
GLY A 286
TYR A 289
GLY A 305
None
0.79A 1httB-1qe0A:
32.7
1httB-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
8 / 12 THR A  82
ARG A 112
GLN A 126
GLU A 130
TYR A 262
GLY A 286
TYR A 289
GLY A 305
None
0.93A 1httB-1qe0A:
32.7
1httB-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
7 / 12 THR A  82
GLU A 130
ARG A 257
TYR A 262
GLY A 286
TYR A 289
GLY A 305
None
1.07A 1httB-1qe0A:
32.7
1httB-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
6 / 12 THR A  82
GLU A 130
ARG A 257
TYR A 262
GLY A 287
GLY A 305
None
1.27A 1httB-1qe0A:
32.7
1httB-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 12 GLU A  80
GLN A 126
TYR A 262
GLY A 286
ALA A 307
None
1.25A 1httC-1qe0A:
33.7
1httC-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
8 / 12 GLU A  80
THR A  82
GLN A 126
GLU A 130
GLY A 286
TYR A 289
GLY A 305
ALA A 307
None
0.82A 1httC-1qe0A:
33.7
1httC-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
8 / 12 THR A  82
GLN A 126
GLU A 130
TYR A 262
GLY A 286
TYR A 289
GLY A 305
ALA A 307
None
0.88A 1httC-1qe0A:
33.7
1httC-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
8 / 12 THR A  82
GLU A 130
ARG A 257
TYR A 262
GLY A 286
TYR A 289
GLY A 305
ALA A 307
None
1.03A 1httC-1qe0A:
33.7
1httC-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
6 / 12 THR A  82
GLU A 130
ARG A 257
TYR A 262
GLY A 287
GLY A 305
None
1.25A 1httC-1qe0A:
33.7
1httC-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 12 GLU A  80
ARG A 112
GLN A 126
GLY A 285
ALA A 307
None
1.20A 1httD-1qe0A:
32.7
1httD-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
8 / 12 GLU A  80
THR A  82
ARG A 112
GLN A 126
GLU A 130
GLY A 286
GLY A 305
ALA A 307
None
0.80A 1httD-1qe0A:
32.7
1httD-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
8 / 12 THR A  82
ARG A 112
GLN A 126
GLU A 130
TYR A 262
GLY A 286
GLY A 305
ALA A 307
None
1.00A 1httD-1qe0A:
32.7
1httD-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
6 / 12 THR A  82
GLU A 130
ARG A 257
TYR A 262
GLY A 286
GLY A 305
None
1.19A 1httD-1qe0A:
32.7
1httD-1qe0A:
38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
6 / 12 THR A  82
GLU A 130
ARG A 257
TYR A 262
GLY A 287
GLY A 305
None
1.28A 1httD-1qe0A:
32.7
1httD-1qe0A:
38.55
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.
1LQT_A_ACTA1872_0
(FPRA)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
4 / 5 SER A 231
ASN A 228
ALA A 170
GLU A 174
None
1.36A 1lqtA-1qe0A:
undetectable
1lqtB-1qe0A:
undetectable
1lqtA-1qe0A:
23.06
1lqtB-1qe0A:
23.06
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.
1LQU_A_ACTA1429_0
(FPRA)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
4 / 5 SER A 231
ASN A 228
ALA A 170
GLU A 174
None
1.36A 1lquA-1qe0A:
undetectable
1lquB-1qe0A:
undetectable
1lquA-1qe0A:
23.06
1lquB-1qe0A:
23.06
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.
2QEB_A_HSMA145_1
(D7R4 PROTEIN)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
4 / 7 ILE A  38
ARG A  39
TYR A 105
ASP A  27
None
0.98A 2qebA-1qe0A:
undetectable
2qebA-1qe0A:
15.51
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.
2QEB_B_HSMB145_1
(D7R4 PROTEIN)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
4 / 7 ILE A  38
ARG A  39
TYR A 105
ASP A  27
None
0.91A 2qebB-1qe0A:
undetectable
2qebB-1qe0A:
15.51
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.
3ADS_A_IMNA2_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 12 PHE A 127
HIS A 149
LEU A 159
LEU A  29
TYR A  33
None
1.25A 3adsA-1qe0A:
0.0
3adsA-1qe0A:
23.56
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.
3ADS_A_IMNA2_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 12 PHE A 127
HIS A 149
LEU A 159
PHE A 306
TYR A  33
None
1.39A 3adsA-1qe0A:
0.0
3adsA-1qe0A:
23.56
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.
3ADX_A_IMNA2_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 12 PHE A 127
HIS A 149
LEU A 159
LEU A  29
TYR A  33
None
1.26A 3adxA-1qe0A:
0.0
3adxA-1qe0A:
23.56
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.
3ADX_A_IMNA2_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 12 PHE A 127
HIS A 149
LEU A 159
PHE A 306
TYR A  33
None
1.36A 3adxA-1qe0A:
0.0
3adxA-1qe0A:
23.56
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.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 12 ILE A 304
ALA A 141
LEU A 242
ARG A 257
TYR A 234
None
1.45A 3eigA-1qe0A:
undetectable
3eigA-1qe0A:
18.65
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.
3KO0_E_TFPE201_1
(PROTEIN S100-A4)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
4 / 7 PHE A 306
GLY A 285
PHE A 267
MET A 148
None
1.08A 3ko0D-1qe0A:
1.5
3ko0E-1qe0A:
1.5
3ko0D-1qe0A:
12.62
3ko0E-1qe0A:
12.62
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 10 VAL A 129
VAL A 143
LEU A 144
GLY A 305
GLY A 287
None
1.29A 3ls4H-1qe0A:
undetectable
3ls4H-1qe0A:
18.66
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.
3RGL_A_GLYA301_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
4 / 8 GLY A  81
THR A  82
ARG A 112
GLN A 126
None
0.50A 3rglA-1qe0A:
10.0
3rglA-1qe0A:
22.85
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.
3UJ7_B_SAMB302_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
4 / 5 TYR A 151
SER A 309
ASP A 272
ILE A 280
None
1.27A 3uj7B-1qe0A:
undetectable
3uj7B-1qe0A:
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.
4BQF_B_QPSB951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
4 / 8 ARG A  87
GLU A  44
LYS A  70
ARG A  73
None
1.12A 4bqfB-1qe0A:
undetectable
4bqfB-1qe0A:
19.91
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.
4P65_I_IPHI101_0
(INSULIN)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 12 LEU A 283
ILE A 150
LEU A 156
LEU A 317
ALA A 316
None
0.98A 4p65B-1qe0A:
undetectable
4p65D-1qe0A:
undetectable
4p65I-1qe0A:
undetectable
4p65J-1qe0A:
undetectable
4p65B-1qe0A:
6.37
4p65D-1qe0A:
6.37
4p65I-1qe0A:
3.10
4p65J-1qe0A:
6.37
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.
4P65_K_IPHK101_0
(INSULIN)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 12 LEU A 283
ILE A 150
LEU A 156
LEU A 317
ALA A 316
None
1.01A 4p65F-1qe0A:
undetectable
4p65H-1qe0A:
undetectable
4p65K-1qe0A:
undetectable
4p65L-1qe0A:
undetectable
4p65F-1qe0A:
6.37
4p65H-1qe0A:
6.37
4p65K-1qe0A:
3.10
4p65L-1qe0A:
6.37
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.
4QZU_C_ACTC202_0
(RETINOL-BINDING
PROTEIN 2)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
4 / 6 TYR A 261
GLU A  80
THR A  82
LEU A 259
None
1.50A 4qzuC-1qe0A:
undetectable
4qzuC-1qe0A:
15.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
6 / 7 THR A  82
GLU A 130
TYR A 262
GLY A 286
TYR A 289
GLY A 305
None
0.77A 4rdxA-1qe0A:
38.1
4rdxA-1qe0A:
42.02
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.
4XUM_A_IMNA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
6 / 12 PHE A 127
SER A 153
HIS A 149
PHE A 306
LEU A  29
TYR A  33
None
1.43A 4xumA-1qe0A:
0.0
4xumA-1qe0A:
22.72
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.
4ZBQ_A_ACTA605_0
(SERUM ALBUMIN)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
4 / 6 GLY A 303
GLU A 135
ARG A 288
ASN A 290
None
1.28A 4zbqA-1qe0A:
undetectable
4zbqA-1qe0A:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
9 / 12 GLU A  80
ARG A 112
GLN A 126
GLU A 130
TYR A 262
GLY A 286
TYR A 289
GLY A 305
ALA A 307
None
0.95A 5e3iA-1qe0A:
34.3
5e3iA-1qe0A:
40.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
9 / 12 GLU A  80
THR A  82
ARG A 112
GLN A 126
GLU A 130
TYR A 262
GLY A 286
GLY A 305
ALA A 307
None
0.95A 5e3iA-1qe0A:
34.3
5e3iA-1qe0A:
40.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 12 GLU A 130
TYR A 262
TYR A 289
GLY A 305
ALA A 307
None
1.10A 5e3iA-1qe0A:
34.3
5e3iA-1qe0A:
40.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 11 GLU A  80
ARG A 112
GLN A 126
GLY A 285
ALA A 307
None
1.18A 5e3iB-1qe0A:
35.2
5e3iB-1qe0A:
40.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
10 / 11 GLU A  80
THR A  82
ARG A 112
GLN A 126
GLU A 130
TYR A 262
GLY A 286
TYR A 289
GLY A 305
ALA A 307
None
0.96A 5e3iB-1qe0A:
35.2
5e3iB-1qe0A:
40.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 11 GLU A 130
TYR A 262
TYR A 289
GLY A 305
ALA A 307
None
1.09A 5e3iB-1qe0A:
35.2
5e3iB-1qe0A:
40.09
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.
6A7P_B_9SCB601_1
(SERUM ALBUMIN)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
4 / 6 PHE A 306
TYR A 151
LEU A  26
SER A 153
None
1.47A 6a7pB-1qe0A:
undetectable
6a7pB-1qe0A:
21.42
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.
6GNG_B_QPSB601_1
(-)
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus)
5 / 12 THR A 224
VAL A 147
GLU A 268
CYH A 284
GLY A 285
None
1.23A 6gngB-1qe0A:
2.7
6gngB-1qe0A:
20.74