SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2qxl'

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.
1D4Y_A_TPVA501_2
(PROTEIN (HIV-1
PROTEASE))		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		4 / 8 LEU A   7
ILE A 163
VAL A 141
ILE A 143
 None
 0.64A 1d4yB-2qxlA:
undetectable		 1d4yB-2qxlA:
9.91
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.
1ERR_A_RALA600_1
(ESTROGEN RECEPTOR)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 12 ALA A 164
GLU A 554
LEU A  49
ARG A  47
LEU A   7
 None
 1.17A 1errA-2qxlA:
undetectable		 1errA-2qxlA:
16.54
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.
1RMT_D_ADND1504_1
(CLASS B ACID
PHOSPHATASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		4 / 8 PHE A   5
LEU A 166
ASP A 124
THR A   3
 None
 1.09A 1rmtD-2qxlA:
undetectable		 1rmtD-2qxlA:
15.15
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.
1SH9_B_RITB301_1
(POL POLYPROTEIN)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 8 ASP A 369
ILE A 372
ILE A 341
GLY A 205
PRO A 146
 None
None
None
ATP  A1002 (-3.5A)
None
 1.09A 1sh9A-2qxlA:
undetectable		 1sh9A-2qxlA:
10.20
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.
2NMZ_B_ROCB401_2
(PROTEASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		3 / 3 ARG A  70
VAL A 175
THR A 210
 None
 0.83A 2nmzA-2qxlA:
undetectable		 2nmzA-2qxlA:
10.06
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.
2NNK_A_ROCA401_2
(PROTEASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		3 / 3 ARG A  70
VAL A 175
THR A 210
 None
 0.84A 2nnkA-2qxlA:
undetectable		 2nnkA-2qxlA:
9.76
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.
2O4L_A_TPVA403_2
(PROTEASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		6 / 12 ARG A  20
GLY A 375
ALA A 376
VAL A 141
ILE A 143
VAL A  15
 None
 1.08A 2o4lB-2qxlA:
undetectable		 2o4lB-2qxlA:
9.76
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.
2O4N_A_TPVA300_1
(PROTEASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 12 LEU A   9
ASP A 369
ILE A 372
ILE A 341
GLY A 205
 None
None
None
None
ATP  A1002 (-3.5A)
 1.01A 2o4nA-2qxlA:
undetectable		 2o4nA-2qxlA:
10.06
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.
2QXS_B_RALB600_1
(ESTROGEN RECEPTOR)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 12 ALA A 164
GLU A 554
LEU A  49
ARG A  47
LEU A   7
 None
 1.16A 2qxsB-2qxlA:
undetectable		 2qxsB-2qxlA:
16.95
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.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 11 ALA A 373
GLY A  10
GLY A 342
ASP A 203
ILE A 341
 None
ATP  A1002 (-3.5A)
ATP  A1002 (-3.3A)
MG  A1004 ( 3.7A)
None
 0.94A 2x1lA-2qxlA:
undetectable		 2x1lA-2qxlA:
21.08
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_B_ADNB601_1
(METHIONYL-TRNA
SYNTHETASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 12 ALA A 373
GLY A  10
GLY A 342
ASP A 203
ILE A 341
 None
ATP  A1002 (-3.5A)
ATP  A1002 (-3.3A)
MG  A1004 ( 3.7A)
None
 0.92A 2x1lB-2qxlA:
undetectable		 2x1lB-2qxlA:
21.08
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)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 11 ALA A 373
GLY A  10
GLY A 342
ASP A 203
ILE A 341
 None
ATP  A1002 (-3.5A)
ATP  A1002 (-3.3A)
MG  A1004 ( 3.7A)
None
 0.88A 2x1lC-2qxlA:
undetectable		 2x1lC-2qxlA:
21.08
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.
2YGQ_A_PCFA1275_0
(WNT INHIBITORY
FACTOR 1)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 12 LEU A 366
ILE A 372
ILE A 341
PHE A 216
VAL A 199
 None
 0.79A 2ygqA-2qxlA:
undetectable		 2ygqA-2qxlA:
17.47
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.
3EKW_B_DR7B100_2
(PROTEASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 12 ASP A 174
GLY A 205
ILE A 204
ALA A 371
ILE A 372
 None
ATP  A1002 (-3.5A)
None
None
None
 0.91A 3ekwB-2qxlA:
undetectable		 3ekwB-2qxlA:
10.53
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.
3K4V_B_ROCB201_2
(HIV-1 PROTEASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		3 / 3 ARG A  70
VAL A 175
THR A 210
 None
 0.82A 3k4vA-2qxlA:
undetectable		 3k4vA-2qxlA:
9.57
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.
3NDT_A_ROCA101_2
(PROTEASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		3 / 3 ARG A  70
VAL A 175
THR A 210
 None
 0.77A 3ndtA-2qxlA:
undetectable		 3ndtA-2qxlA:
9.57
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.
3TL9_A_ROCA401_2
(PROTEASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		3 / 3 ARG A  70
VAL A 175
THR A 210
 None
 0.85A 3tl9A-2qxlA:
undetectable		 3tl9A-2qxlA:
10.03
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.
3TMZ_A_06XA504_1
(CYTOCHROME P450 2B4)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 9 LEU A 542
LEU A 550
ILE A 123
ILE A 143
GLU A 554
 None
 1.44A 3tmzA-2qxlA:
undetectable		 3tmzA-2qxlA:
22.42
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.
4B7N_A_ZMRA601_1
(NEURAMINIDASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 12 GLU A 646
GLU A 587
GLU A 588
ARG A 639
TYR A 642
 None
 1.47A 4b7nA-2qxlA:
undetectable		 4b7nA-2qxlA:
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.
4FVQ_A_ACTA904_0
(TYROSINE-PROTEIN
KINASE JAK2)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		3 / 3 PHE A 216
VAL A 199
GLU A 339
 None
 0.83A 4fvqA-2qxlA:
undetectable		 4fvqA-2qxlA:
18.11
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.
4IMA_D_ADND604_1
(PYRUVATE KINASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		3 / 3 ARG A 582
GLU A 609
ASN A 606
 None
 0.90A 4imaD-2qxlA:
undetectable		 4imaD-2qxlA:
21.23
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.
4NJU_A_TPVA500_1
(PROTEASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 12 LEU A   9
ASP A 369
ILE A 341
GLY A 205
PRO A 146
 None
None
None
ATP  A1002 (-3.5A)
None
 0.96A 4njuA-2qxlA:
undetectable		 4njuA-2qxlA:
10.08
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.
4NJU_C_TPVC500_1
(PROTEASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 12 LEU A   9
ASP A 369
ILE A 341
GLY A 205
PRO A 146
 None
None
None
ATP  A1002 (-3.5A)
None
 0.97A 4njuC-2qxlA:
undetectable		 4njuC-2qxlA:
10.08
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.
4Q1X_A_017A101_2
(ASPARTYL PROTEASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 12 LEU A   7
ILE A 171
ILE A 163
VAL A 141
ILE A 143
 None
 0.92A 4q1xB-2qxlA:
undetectable		 4q1xB-2qxlA:
9.91
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.
4Q1Y_A_017A106_2
(ASPARTYL PROTEASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 12 LEU A   7
ILE A 171
ILE A 163
VAL A 141
ILE A 143
 None
 0.88A 4q1yB-2qxlA:
undetectable		 4q1yB-2qxlA:
9.91
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.
4WA5_A_ZMRA501_1
(NEURAMINIDASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 12 GLU A 646
GLU A 587
GLU A 588
ARG A 639
TYR A 642
 None
 1.46A 4wa5A-2qxlA:
undetectable		 4wa5A-2qxlA:
20.00
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.
4WG0_B_CHDB102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 11 LEU A 585
LEU A 581
GLU A 597
LYS A 598
LEU A 601
 None
 0.88A 4wg0B-2qxlA:
undetectable
4wg0C-2qxlA:
undetectable
4wg0D-2qxlA:
undetectable		 4wg0B-2qxlA:
2.26
4wg0C-2qxlA:
2.26
4wg0D-2qxlA:
2.26
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.
4WG0_C_CHDC102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		4 / 7 LYS A 598
LEU A 601
LEU A 585
LEU A 581
 None
 0.78A 4wg0B-2qxlA:
undetectable
4wg0C-2qxlA:
undetectable		 4wg0B-2qxlA:
2.26
4wg0C-2qxlA:
2.26
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.
4WG0_D_CHDD102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 11 LEU A 585
LEU A 581
GLU A 597
LYS A 598
LEU A 601
 None
 0.88A 4wg0D-2qxlA:
undetectable
4wg0E-2qxlA:
undetectable
4wg0F-2qxlA:
undetectable		 4wg0D-2qxlA:
2.26
4wg0E-2qxlA:
2.26
4wg0F-2qxlA:
2.26
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.
4WG0_K_CHDK103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 11 GLU A 597
LYS A 598
LEU A 601
LEU A 585
LEU A 581
 None
 0.90A 4wg0I-2qxlA:
undetectable
4wg0J-2qxlA:
undetectable
4wg0K-2qxlA:
undetectable		 4wg0I-2qxlA:
2.26
4wg0J-2qxlA:
2.26
4wg0K-2qxlA:
2.26
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.
4WG0_L_CHDL103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		4 / 7 LEU A 585
LEU A 581
LYS A 598
LEU A 601
 None
 0.82A 4wg0L-2qxlA:
undetectable
4wg0M-2qxlA:
undetectable		 4wg0L-2qxlA:
2.26
4wg0M-2qxlA:
2.26
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		4 / 6 THR A 349
SER A 302
LEU A 306
LEU A 278
 None
 0.88A 4wozA-2qxlA:
undetectable
4wozB-2qxlA:
undetectable		 4wozA-2qxlA:
18.89
4wozB-2qxlA:
18.89
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.
4XI3_A_29SA601_1
(ESTROGEN RECEPTOR)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 12 ALA A 164
GLU A 554
LEU A  49
ARG A  47
LEU A   7
 None
 1.20A 4xi3A-2qxlA:
undetectable		 4xi3A-2qxlA:
16.64
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.
4XI3_D_29SD601_1
(ESTROGEN RECEPTOR)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 12 ALA A 164
GLU A 554
LEU A  49
ARG A  47
LEU A   7
 None
 1.21A 4xi3D-2qxlA:
undetectable		 4xi3D-2qxlA:
16.64
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.
5AQF_A_ADNA1382_1
(HEAT SHOCK COGNATE
71 KDA PROTEIN)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		6 / 10 GLY A 234
GLU A 272
LYS A 275
SER A 279
GLY A 343
ILE A 347
 ATP  A1002 (-3.6A)
ATP  A1002 (-3.5A)
ATP  A1002 (-2.6A)
ATP  A1002 (-2.9A)
ATP  A1002 (-3.3A)
None
 0.56A 5aqfA-2qxlA:
44.8		 5aqfA-2qxlA:
21.54
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.
5AQF_C_ADNC1382_1
(HEAT SHOCK COGNATE
71 KDA PROTEIN)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		6 / 10 GLY A 205
GLY A 234
LYS A 275
SER A 279
GLY A 343
ILE A 347
 ATP  A1002 (-3.5A)
ATP  A1002 (-3.6A)
ATP  A1002 (-2.6A)
ATP  A1002 (-2.9A)
ATP  A1002 (-3.3A)
None
 1.17A 5aqfC-2qxlA:
44.8		 5aqfC-2qxlA:
21.54
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.
5AQF_C_ADNC1382_1
(HEAT SHOCK COGNATE
71 KDA PROTEIN)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		6 / 10 GLY A 234
GLU A 272
LYS A 275
SER A 279
GLY A 343
ILE A 347
 ATP  A1002 (-3.6A)
ATP  A1002 (-3.5A)
ATP  A1002 (-2.6A)
ATP  A1002 (-2.9A)
ATP  A1002 (-3.3A)
None
 0.55A 5aqfC-2qxlA:
44.8		 5aqfC-2qxlA:
21.54
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.
5AQY_A_ADNA1389_1
(HEAT SHOCK 70 KDA
PROTEIN 1A)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		6 / 10 GLY A 205
GLY A 234
LYS A 275
SER A 279
GLY A 343
ILE A 347
 ATP  A1002 (-3.5A)
ATP  A1002 (-3.6A)
ATP  A1002 (-2.6A)
ATP  A1002 (-2.9A)
ATP  A1002 (-3.3A)
None
 1.15A 5aqyA-2qxlA:
47.0		 5aqyA-2qxlA:
24.54
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.
5AQY_A_ADNA1389_1
(HEAT SHOCK 70 KDA
PROTEIN 1A)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		6 / 10 GLY A 234
GLU A 272
LYS A 275
SER A 279
GLY A 343
ILE A 347
 ATP  A1002 (-3.6A)
ATP  A1002 (-3.5A)
ATP  A1002 (-2.6A)
ATP  A1002 (-2.9A)
ATP  A1002 (-3.3A)
None
 0.56A 5aqyA-2qxlA:
47.0		 5aqyA-2qxlA:
24.54
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.
5CDP_H_EVPH2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		4 / 6 SER A 353
GLY A 234
ASP A 236
GLY A 205
 None
ATP  A1002 (-3.6A)
None
ATP  A1002 (-3.5A)
 0.96A 5cdpA-2qxlA:
undetectable
5cdpB-2qxlA:
undetectable		 5cdpA-2qxlA:
23.60
5cdpB-2qxlA:
15.33
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.
5ESE_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 8 LEU A 189
PHE A 392
ILE A 184
PHE A 216
GLY A 179
 None
 1.15A 5eseA-2qxlA:
undetectable		 5eseA-2qxlA:
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.
5F1A_B_SALB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		4 / 7 LEU A 221
GLY A 179
ALA A 178
SER A 181
 None
 0.82A 5f1aB-2qxlA:
2.2		 5f1aB-2qxlA:
21.11
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.
5FA8_A_SAMA301_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 12 PRO A  37
GLY A  41
GLY A  53
PHE A  42
PHE A 122
 None
 1.12A 5fa8A-2qxlA:
undetectable		 5fa8A-2qxlA:
13.41
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.
5N8J_E_DVAE7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		3 / 3 TYR A 404
SER A 444
TRP A 462
 None
 1.06A 5n8jB-2qxlA:
undetectable		 5n8jB-2qxlA:
14.48
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.
5N8J_O_DVAO7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		3 / 3 TYR A 404
SER A 444
TRP A 462
 None
 1.04A 5n8jA-2qxlA:
undetectable		 5n8jA-2qxlA:
14.48
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.
5ODI_A_ACTA701_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		3 / 3 LYS A  69
LYS A 230
SER A 208
 ATP  A1002 (-3.0A)
None
ATP  A1002 (-4.8A)
 1.00A 5odiA-2qxlA:
undetectable		 5odiA-2qxlA:
21.70
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.
5OTR_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		4 / 5 VAL A 172
ASP A 174
PRO A 147
ALA A 144
 None
 1.03A 5otrA-2qxlA:
undetectable		 5otrA-2qxlA:
18.39
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.
5WGD_A_ESTA601_1
(ESTROGEN RECEPTOR)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 9 ALA A 164
GLU A 554
LEU A  49
ARG A  47
LEU A   7
 None
 1.49A 5wgdA-2qxlA:
undetectable		 5wgdA-2qxlA:
9.50
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.
5WGQ_B_ESTB601_1
(ESTROGEN RECEPTOR)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		5 / 10 ALA A 164
GLU A 554
LEU A  49
ARG A  47
LEU A   7
 None
 1.49A 5wgqB-2qxlA:
undetectable		 5wgqB-2qxlA:
9.50
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.
5XXI_A_LSNA501_2
(CYTOCHROME P450 2C9)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		4 / 4 PHE A  88
LEU A  95
LEU A 118
VAL A  93
 None
 1.20A 5xxiA-2qxlA:
undetectable		 5xxiA-2qxlA:
21.00
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.
5Y9Y_A_ACTA409_0
(UNCHARACTERIZED
PROTEIN KDOO)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		3 / 3 LYS A 262
PRO A 261
LYS A  62
 None
 1.10A 5y9yA-2qxlA:
undetectable		 5y9yA-2qxlA:
18.28
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.
5YWM_X_NIOX403_0
(CASEIN KINASE II
SUBUNIT ALPHA')		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		4 / 7 VAL A  27
VAL A  18
ILE A 138
PHE A   5
 None
 0.61A 5ywmX-2qxlA:
undetectable		 5ywmX-2qxlA:
10.21
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.
6AG0_A_ACRA605_0
(ALPHA-AMYLASE)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		4 / 8 TYR A 209
GLY A 342
ILE A 341
PRO A 147
 None
ATP  A1002 (-3.3A)
None
None
 0.91A 6ag0A-2qxlA:
undetectable		 6ag0A-2qxlA:
7.65
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.
6F3M_D_ADND502_2
(-)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		4 / 5 ILE A  72
GLN A 117
THR A 116
LEU A  92
 None
 1.14A 6f3mD-2qxlA:
undetectable		 6f3mD-2qxlA:
23.42
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.
6F8C_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1
(Saccharomyces
cerevisiae) 		4 / 6 ALA A 178
GLY A 342
THR A 345
PHE A 358
 None
ATP  A1002 (-3.3A)
None
None
 0.86A 6f8cA-2qxlA:
2.4		 6f8cA-2qxlA:
8.63