SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1xa0'

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.
1FM9_A_9CRA201_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 ALA A 134
ALA A 135
LEU A 291
LEU A 165
ALA A 166
None
0.88A 1fm9A-1xa0A:
undetectable
1fm9A-1xa0A:
24.35
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.
1FM9_A_9CRA201_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 ILE A 127
ALA A 135
LEU A 291
LEU A 165
ALA A 166
None
0.94A 1fm9A-1xa0A:
undetectable
1fm9A-1xa0A:
24.35
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.
1GTN_E_TRPE81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
4 / 6 SER A 272
GLY A  94
THR A 129
ILE A  93
None
0.92A 1gtnD-1xa0A:
undetectable
1gtnE-1xa0A:
undetectable
1gtnD-1xa0A:
16.03
1gtnE-1xa0A:
16.03
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.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLU A 186
LEU A 190
TYR A 189
GLY A 163
GLY A 161
None
None
None
None
SO4  A 329 (-3.3A)
1.08A 1httB-1xa0A:
undetectable
1httB-1xa0A:
25.61
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)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLU A 186
LEU A 190
TYR A 189
GLY A 163
GLY A 161
None
None
None
None
SO4  A 329 (-3.3A)
1.23A 1httD-1xa0A:
undetectable
1httD-1xa0A:
25.61
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.
1K74_A_9CRA463_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 ALA A 134
ALA A 135
LEU A 291
LEU A 165
ALA A 166
None
0.86A 1k74A-1xa0A:
undetectable
1k74A-1xa0A:
24.35
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.
1K74_A_9CRA463_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 ILE A 127
ALA A 135
LEU A 291
LEU A 165
ALA A 166
None
0.94A 1k74A-1xa0A:
undetectable
1k74A-1xa0A:
24.35
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.
1LWF_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 9 LEU A 327
VAL A  63
TYR A 104
GLY A  99
LEU A 304
None
1.46A 1lwfA-1xa0A:
undetectable
1lwfA-1xa0A:
22.12
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.
1MUI_B_AB1B100_2
(PROTEASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.75A 1muiB-1xa0A:
undetectable
1muiB-1xa0A:
17.11
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.
1MX1_B_THAB2_1
(LIVER
CARBOXYLESTERASE I)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 11 LEU A  68
GLY A 100
VAL A  20
LEU A 327
LEU A 304
None
1.38A 1mx1B-1xa0A:
2.4
1mx1B-1xa0A:
22.18
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.
1MX1_E_THAE5_1
(LIVER
CARBOXYLESTERASE I)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 LEU A  68
GLY A 100
VAL A  20
LEU A 327
LEU A 304
None
1.38A 1mx1E-1xa0A:
2.4
1mx1E-1xa0A:
22.18
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.
1ODI_A_ADNA1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 11 ARG A 173
THR A 147
GLY A 145
GLU A 143
GLU A 142
None
1.32A 1odiA-1xa0A:
undetectable
1odiA-1xa0A:
25.22
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.
1ODI_B_ADNB1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 11 ARG A 173
THR A 147
GLY A 145
GLU A 143
GLU A 142
None
1.35A 1odiB-1xa0A:
undetectable
1odiB-1xa0A:
25.22
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.
1ODI_D_ADND1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 11 ARG A 173
THR A 147
GLY A 145
GLU A 143
GLU A 142
None
1.31A 1odiD-1xa0A:
undetectable
1odiD-1xa0A:
25.22
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.
1RLB_E_REAE176_1
(RETINOL BINDING
PROTEIN)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 10 LEU A 170
ALA A 134
VAL A 153
LEU A 141
ASP A 290
None
1.13A 1rlbE-1xa0A:
undetectable
1rlbE-1xa0A:
19.16
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.
1XLS_A_9CRA801_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 ALA A 134
ALA A 135
LEU A 291
LEU A 165
ALA A 166
None
0.86A 1xlsA-1xa0A:
undetectable
1xlsA-1xa0A:
24.63
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.
1XLS_B_9CRB802_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 ALA A 134
ALA A 135
LEU A 291
LEU A 165
ALA A 166
None
0.87A 1xlsB-1xa0A:
undetectable
1xlsB-1xa0A:
24.63
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.
1XLS_C_9CRC803_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 ALA A 134
ALA A 135
LEU A 291
LEU A 165
ALA A 166
None
0.87A 1xlsC-1xa0A:
undetectable
1xlsC-1xa0A:
24.63
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.
1XLS_D_9CRD804_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 ALA A 134
ALA A 135
LEU A 291
LEU A 165
ALA A 166
None
0.86A 1xlsD-1xa0A:
undetectable
1xlsD-1xa0A:
24.63
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.
2ACL_A_REAA502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
6 / 12 ALA A 134
ALA A 135
LEU A 291
LEU A 165
ALA A 166
ILE A  87
None
1.42A 2aclA-1xa0A:
undetectable
2aclE-1xa0A:
undetectable
2aclA-1xa0A:
24.35
2aclE-1xa0A:
24.35
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.
2ACL_E_REAE504_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 11 ALA A 134
ALA A 135
LEU A 291
ALA A 166
ILE A  87
None
1.07A 2aclE-1xa0A:
undetectable
2aclE-1xa0A:
24.35
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.
2ACL_G_REAG501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 ALA A 134
ALA A 135
LEU A 291
LEU A 165
ALA A 166
None
0.91A 2aclG-1xa0A:
undetectable
2aclG-1xa0A:
24.35
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.
2ACL_G_REAG501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 ILE A 127
ALA A 135
LEU A 291
LEU A 165
ALA A 166
None
0.95A 2aclG-1xa0A:
undetectable
2aclG-1xa0A:
24.35
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.
2AQU_B_DR7B300_2
(HIV-1 PROTEASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 11 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.83A 2aquB-1xa0A:
undetectable
2aquB-1xa0A:
17.11
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.
2AVV_A_MK1A901_3
(POL POLYPROTEIN)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.87A 2avvB-1xa0A:
undetectable
2avvB-1xa0A:
17.11
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 10 TYR A 101
GLY A  94
GLY A  90
THR A  89
ALA A  88
None
0.93A 2ej3B-1xa0A:
undetectable
2ej3B-1xa0A:
25.62
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.
2FXE_A_DR7A102_2
(POL PROTEIN)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 11 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.89A 2fxeB-1xa0A:
undetectable
2fxeB-1xa0A:
13.80
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.
2NNP_A_ROCA401_1
(PROTEASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 11 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.96A 2nnpA-1xa0A:
undetectable
2nnpA-1xa0A:
17.11
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.
2O4K_A_DR7A301_2
(PROTEASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.88A 2o4kB-1xa0A:
undetectable
2o4kB-1xa0A:
16.73
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.
2O4S_A_AB1A400_1
(PROTEASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.74A 2o4sA-1xa0A:
undetectable
2o4sA-1xa0A:
16.73
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.
2Q5K_A_AB1A201_2
(PROTEASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.88A 2q5kB-1xa0A:
undetectable
2q5kB-1xa0A:
16.35
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.
2Q63_A_1UNA1001_1
(PROTEASE RETROPEPSIN)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.82A 2q63A-1xa0A:
undetectable
2q63A-1xa0A:
16.73
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.
2QEI_A_CXXA801_1
(TRANSPORTER)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 11 LEU A 141
LEU A 146
ILE A 138
LEU A 291
ASP A 290
None
1.15A 2qeiA-1xa0A:
undetectable
2qeiA-1xa0A:
21.51
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.
2QJU_A_DSMA801_1
(TRANSPORTER)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 11 LEU A 141
LEU A 146
ILE A 138
LEU A 291
ASP A 290
None
1.13A 2qjuA-1xa0A:
undetectable
2qjuA-1xa0A:
20.08
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.
2R5P_D_MK1D902_2
(PROTEASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.83A 2r5pD-1xa0A:
undetectable
2r5pD-1xa0A:
15.03
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.
2R5Q_B_1UNB900_2
(PROTEASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 11 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.88A 2r5qB-1xa0A:
undetectable
2r5qB-1xa0A:
15.03
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.
2VCV_H_ASDH1224_1
(GLUTATHIONE
S-TRANSFERASE A3)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 9 PRO A 293
LEU A 295
ALA A 135
LEU A 165
ALA A 130
None
None
None
None
SO4  A 329 ( 4.2A)
1.29A 2vcvH-1xa0A:
undetectable
2vcvH-1xa0A:
21.78
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.
2YA7_C_ZMRC1776_1
(NEURAMINIDASE A)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 ILE A  66
ASP A  46
ASP A  67
LEU A 287
ARG A 280
None
1.25A 2ya7C-1xa0A:
undetectable
2ya7C-1xa0A:
21.51
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.
3BOG_C_DVAC10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
3 / 3 GLY A 100
GLY A  94
GLY A  65
None
0.43A 3bogC-1xa0A:
undetectable
3bogC-1xa0A:
14.47
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.
3BOG_D_DVAD10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
3 / 3 GLY A 100
GLY A  94
GLY A  65
None
0.41A 3bogD-1xa0A:
undetectable
3bogD-1xa0A:
14.47
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.
3BVB_B_017B401_1
(PROTEASE
(RETROPEPSIN))
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.77A 3bvbA-1xa0A:
undetectable
3bvbA-1xa0A:
17.11
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.
3EL1_A_DR7A100_2
(PROTEASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.87A 3el1B-1xa0A:
undetectable
3el1B-1xa0A:
16.73
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.
3FC6_C_REAC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 ALA A 134
ALA A 135
LEU A 291
LEU A 165
ALA A 166
None
0.89A 3fc6C-1xa0A:
undetectable
3fc6C-1xa0A:
23.28
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.
3H0A_A_9RAA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
6 / 12 ALA A 134
ALA A 135
LEU A 291
LEU A 165
ALA A 166
ILE A  87
None
1.39A 3h0aA-1xa0A:
undetectable
3h0aA-1xa0A:
24.26
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 161
GLY A 321
LEU A 319
ALA A 130
ASN A  43
SO4  A 329 (-3.3A)
None
None
SO4  A 329 ( 4.2A)
SO4  A 329 (-4.7A)
0.96A 3kkzA-1xa0A:
6.8
3kkzA-1xa0A:
22.00
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.
3KKZ_B_SAMB302_0
(UNCHARACTERIZED
PROTEIN Q5LES9)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 161
GLY A 321
LEU A 319
ALA A 130
ASN A  43
SO4  A 329 (-3.3A)
None
None
SO4  A 329 ( 4.2A)
SO4  A 329 (-4.7A)
0.95A 3kkzB-1xa0A:
6.8
3kkzB-1xa0A:
22.00
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.
3NDT_A_ROCA101_3
(PROTEASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.89A 3ndtB-1xa0A:
undetectable
3ndtB-1xa0A:
13.80
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.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 VAL A 153
LEU A 170
VAL A 242
GLY A 240
LEU A 146
None
1.09A 3pghD-1xa0A:
undetectable
3pghD-1xa0A:
19.28
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.
3R9V_B_DXCB1_0
(INVASIN IPAD)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
4 / 7 ILE A  93
LEU A  68
LEU A 327
VAL A  20
None
0.93A 3r9vA-1xa0A:
undetectable
3r9vB-1xa0A:
undetectable
3r9vA-1xa0A:
21.49
3r9vB-1xa0A:
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.
3SI7_C_ACTC4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
4 / 4 GLY A 160
GLY A 157
THR A 181
LEU A 190
SO4  A 329 ( 4.8A)
SO4  A 330 ( 4.7A)
SO4  A 330 (-3.6A)
None
0.93A 3si7C-1xa0A:
undetectable
3si7D-1xa0A:
undetectable
3si7C-1xa0A:
22.71
3si7D-1xa0A:
22.71
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.
3TJ7_C_ACTC610_0
(GBAA_1210 PROTEIN)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
3 / 3 ASN A  43
ALA A 130
ARG A 322
SO4  A 329 (-4.7A)
SO4  A 329 ( 4.2A)
None
0.75A 3tj7C-1xa0A:
undetectable
3tj7D-1xa0A:
undetectable
3tj7C-1xa0A:
21.19
3tj7D-1xa0A:
21.19
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.
3TKW_B_017B401_2
(PROTEASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.84A 3tkwB-1xa0A:
undetectable
3tkwB-1xa0A:
16.78
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_3
(PROTEASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.87A 3tl9B-1xa0A:
undetectable
3tl9B-1xa0A:
16.78
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.
3WXO_A_NIZA802_1
(CATALASE-PEROXIDASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
4 / 8 LEU A 115
ILE A  87
GLY A 128
ILE A 127
None
0.71A 3wxoA-1xa0A:
undetectable
3wxoA-1xa0A:
19.75
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.
4CX7_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
4 / 8 SER A 245
ARG A 280
ILE A 270
PHE A 132
None
1.12A 4cx7A-1xa0A:
undetectable
4cx7B-1xa0A:
undetectable
4cx7A-1xa0A:
21.19
4cx7B-1xa0A:
21.19
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.
4ECK_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 VAL A   8
LEU A 327
SER A  24
LEU A  28
VAL A  63
None
1.09A 4eckB-1xa0A:
undetectable
4eckB-1xa0A:
21.15
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.
4MWV_A_BCZA513_1
(NEURAMINIDASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
3 / 3 ARG A 286
GLU A 143
ARG A 173
None
0.84A 4mwvA-1xa0A:
undetectable
4mwvA-1xa0A:
19.65
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.
4QGI_A_ROCA101_1
(PROTEASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 11 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
None
SO4  A 329 ( 4.2A)
None
None
None
0.94A 4qgiA-1xa0A:
undetectable
4qgiA-1xa0A:
17.11
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 8 LEU A  34
VAL A  35
ALA A 105
LEU A  28
GLY A  31
None
1.23A 4zauA-1xa0A:
undetectable
4zauA-1xa0A:
25.96
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.
5C0O_E_SAME301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 ALA A 130
GLY A 321
GLY A 161
GLY A 157
ALA A 299
SO4  A 329 ( 4.2A)
None
SO4  A 329 (-3.3A)
SO4  A 330 ( 4.7A)
None
1.12A 5c0oE-1xa0A:
8.9
5c0oE-1xa0A:
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.
5IEN_A_VDYA201_2
(CDL2.2)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 LEU A  28
VAL A  37
ILE A  93
LEU A  68
GLY A  70
None
1.19A 5ienA-1xa0A:
undetectable
5ienA-1xa0A:
21.15
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.
5NFJ_A_SAMA501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 THR A 133
ALA A 130
ILE A 138
LEU A 170
MET A 169
None
SO4  A 329 ( 4.2A)
None
None
None
0.96A 5nfjA-1xa0A:
undetectable
5nfjA-1xa0A:
17.66
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.
5O96_C_SAMC501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
4 / 7 LEU A 141
GLY A 145
SER A 137
ALA A 241
None
0.74A 5o96C-1xa0A:
3.5
5o96C-1xa0A:
21.28
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.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 ARG A 227
GLY A 226
VAL A 177
LEU A 170
GLY A 163
SO4  A 330 (-4.5A)
None
None
None
None
1.19A 5vooE-1xa0A:
2.5
5vooE-1xa0A:
23.46
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.
5Z12_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 ALA A 134
ALA A 135
LEU A 291
LEU A 165
ALA A 166
None
0.88A 5z12B-1xa0A:
undetectable
5z12B-1xa0A:
13.10
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.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 12 LEU A 136
GLY A 246
VAL A 242
LEU A 268
GLY A 269
None
0.88A 5zhmB-1xa0A:
undetectable
5zhmB-1xa0A:
26.24
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.
6CZM_A_HISA402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 10 GLY A 269
LEU A 267
VAL A 232
ALA A 220
LEU A 229
None
1.09A 6czmA-1xa0A:
undetectable
6czmC-1xa0A:
undetectable
6czmA-1xa0A:
25.00
6czmC-1xa0A:
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.
6CZM_D_HISD402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
4 / 8 GLY A 269
LEU A 267
VAL A 232
LEU A 229
None
0.86A 6czmD-1xa0A:
undetectable
6czmF-1xa0A:
undetectable
6czmD-1xa0A:
25.00
6czmF-1xa0A:
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.
6HU9_H_PCFH604_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophil
us)
5 / 8 GLY A 131
VAL A 167
GLY A 246
SER A 245
ALA A 243
None
1.43A 6hu9H-1xa0A:
undetectable
6hu9e-1xa0A:
undetectable
6hu9H-1xa0A:
14.33
6hu9e-1xa0A:
18.40