SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '961'


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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		8 / 12 HIS A 112
TYR A 114
ASP A 388
ALA A 389
HIS A 497
ASP A 498
ASP A 545
ARG A 549
 EDO  A 901 ( 3.8A)
ACT  A 961 ( 4.4A)
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.2A)
None
EDO  A 901 (-4.4A)
EDO  A 902 ( 2.7A)
EDO  A 901 (-3.1A)
 0.81A 1dedA-3k8kA:
30.6		 1dedA-3k8kA:
23.61
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		7 / 12 HIS A 112
TYR A 114
GLU A 431
HIS A 497
ASP A 498
ASP A 545
ARG A 549
 EDO  A 901 ( 3.8A)
ACT  A 961 ( 4.4A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
EDO  A 902 ( 2.7A)
EDO  A 901 (-3.1A)
 1.13A 1dedA-3k8kA:
30.6		 1dedA-3k8kA:
23.61
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		9 / 12 HIS A 112
TYR A 114
ARG A 386
ASP A 388
ALA A 389
GLU A 431
HIS A 497
ASP A 498
ARG A 549
 EDO  A 901 ( 3.8A)
ACT  A 961 ( 4.4A)
None
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.2A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
EDO  A 901 (-3.1A)
 0.68A 1dedB-3k8kA:
34.9		 1dedB-3k8kA:
23.61
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.
1IIU_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		5 / 11 LEU A 307
ALA A 315
MET A 272
MET A 286
LEU A 268
 961  A 450 (-4.8A)
None
961  A 450 (-3.1A)
None
961  A 450 ( 4.9A)
 1.27A 1iiuA-1exxA:
0.0		 1iiuA-1exxA:
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.
1KT6_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		5 / 11 LEU A 307
ALA A 315
MET A 272
MET A 286
LEU A 268
 961  A 450 (-4.8A)
None
961  A 450 (-3.1A)
None
961  A 450 ( 4.9A)
 1.29A 1kt6A-1exxA:
0.0		 1kt6A-1exxA:
22.37
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		8 / 12 TYR A 114
HIS A 154
ARG A 386
ASP A 388
LYS A 391
GLU A 431
HIS A 497
ASP A 498
 ACT  A 961 ( 4.4A)
ACT  A 961 (-4.8A)
None
ACT  A 961 (-2.8A)
None
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
 0.43A 1mxdA-3k8kA:
26.8		 1mxdA-3k8kA:
22.56
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		7 / 12 TYR A 114
HIS A 154
PHE A 345
ARG A 386
ASP A 388
HIS A 497
ASP A 498
 ACT  A 961 ( 4.4A)
ACT  A 961 (-4.8A)
ACT  A 961 ( 4.2A)
None
ACT  A 961 (-2.8A)
None
EDO  A 901 (-4.4A)
 1.04A 1mxdA-3k8kA:
26.8		 1mxdA-3k8kA:
22.56
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.
1UAK_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 3ii7 KELCH-LIKE PROTEIN 7
(Homo
sapiens) 		5 / 12 SER A 422
GLY A 424
VAL A 447
LEU A 448
GLY A 436
 None
None
EDO  A 961 (-3.9A)
None
None
 0.92A 1uakA-3ii7A:
undetectable		 1uakA-3ii7A:
21.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XDK_B_9CRB600_1
(RETINOIC ACID
RECEPTOR, BETA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		9 / 12 PHE A 230
ALA A 234
CYH A 237
LEU A 268
LEU A 271
ILE A 275
ARG A 278
SER A 289
PHE A 304
 961  A 450 (-3.9A)
961  A 450 (-3.1A)
961  A 450 (-3.6A)
961  A 450 ( 4.9A)
961  A 450 (-3.6A)
961  A 450 (-3.5A)
961  A 450 (-3.6A)
961  A 450 (-2.5A)
961  A 450 (-3.6A)
 0.54A 1xdkB-1exxA:
37.3		 1xdkB-1exxA:
81.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XDK_B_9CRB600_1
(RETINOIC ACID
RECEPTOR, BETA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		5 / 12 PHE A 230
ALA A 234
CYH A 237
PHE A 304
LEU A 268
 961  A 450 (-3.9A)
961  A 450 (-3.1A)
961  A 450 (-3.6A)
961  A 450 (-3.6A)
961  A 450 ( 4.9A)
 1.13A 1xdkB-1exxA:
37.3		 1xdkB-1exxA:
81.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XDK_B_9CRB600_1
(RETINOIC ACID
RECEPTOR, BETA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		7 / 12 PHE A 230
ALA A 234
ILE A 275
ARG A 278
SER A 289
PHE A 304
LEU A 307
 961  A 450 (-3.9A)
961  A 450 (-3.1A)
961  A 450 (-3.5A)
961  A 450 (-3.6A)
961  A 450 (-2.5A)
961  A 450 (-3.6A)
961  A 450 (-4.8A)
 0.55A 1xdkB-1exxA:
37.3		 1xdkB-1exxA:
81.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XDK_B_9CRB600_1
(RETINOIC ACID
RECEPTOR, BETA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		5 / 12 PHE A 230
ALA A 234
PHE A 304
LEU A 307
LEU A 268
 961  A 450 (-3.9A)
961  A 450 (-3.1A)
961  A 450 (-3.6A)
961  A 450 (-4.8A)
961  A 450 ( 4.9A)
 1.02A 1xdkB-1exxA:
37.3		 1xdkB-1exxA:
81.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XDK_B_9CRB600_2
(RETINOIC ACID
RECEPTOR, BETA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		3 / 3 LEU A 233
PHE A 288
ARG A 396
 961  A 450 ( 4.0A)
961  A 450 (-4.6A)
None
 0.44A 1xdkB-1exxA:
37.3		 1xdkB-1exxA:
81.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XDK_F_9CRF1600_1
(RETINOIC ACID
RECEPTOR, BETA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		8 / 12 PHE A 230
ALA A 234
CYH A 237
ILE A 275
ARG A 278
SER A 289
PHE A 304
LEU A 307
 961  A 450 (-3.9A)
961  A 450 (-3.1A)
961  A 450 (-3.6A)
961  A 450 (-3.5A)
961  A 450 (-3.6A)
961  A 450 (-2.5A)
961  A 450 (-3.6A)
961  A 450 (-4.8A)
 0.59A 1xdkF-1exxA:
37.3		 1xdkF-1exxA:
81.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XDK_F_9CRF1600_1
(RETINOIC ACID
RECEPTOR, BETA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		9 / 12 PHE A 230
ALA A 234
CYH A 237
LEU A 268
LEU A 271
ILE A 275
ARG A 278
SER A 289
PHE A 304
 961  A 450 (-3.9A)
961  A 450 (-3.1A)
961  A 450 (-3.6A)
961  A 450 ( 4.9A)
961  A 450 (-3.6A)
961  A 450 (-3.5A)
961  A 450 (-3.6A)
961  A 450 (-2.5A)
961  A 450 (-3.6A)
 0.53A 1xdkF-1exxA:
37.3		 1xdkF-1exxA:
81.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XDK_F_9CRF1600_1
(RETINOIC ACID
RECEPTOR, BETA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		7 / 12 PHE A 230
ALA A 234
CYH A 237
SER A 289
PHE A 304
LEU A 307
LEU A 268
 961  A 450 (-3.9A)
961  A 450 (-3.1A)
961  A 450 (-3.6A)
961  A 450 (-2.5A)
961  A 450 (-3.6A)
961  A 450 (-4.8A)
961  A 450 ( 4.9A)
 1.22A 1xdkF-1exxA:
37.3		 1xdkF-1exxA:
81.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XDK_F_9CRF1600_2
(RETINOIC ACID
RECEPTOR, BETA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		3 / 3 LEU A 233
PHE A 288
ARG A 396
 961  A 450 ( 4.0A)
961  A 450 (-4.6A)
None
 0.45A 1xdkF-1exxA:
37.3		 1xdkF-1exxA:
81.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2LBD_A_REAA500_1
(RETINOIC ACID
RECEPTOR GAMMA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		12 / 12 PHE A 230
LYS A 236
CYH A 237
LEU A 271
MET A 272
ARG A 274
ILE A 275
ARG A 278
PHE A 288
SER A 289
GLY A 393
LEU A 400
 961  A 450 (-3.9A)
LMU  A 451 ( 3.7A)
961  A 450 (-3.6A)
961  A 450 (-3.6A)
961  A 450 (-3.1A)
None
961  A 450 (-3.5A)
961  A 450 (-3.6A)
961  A 450 (-4.6A)
961  A 450 (-2.5A)
961  A 450 ( 4.0A)
None
 0.42A 2lbdA-1exxA:
40.6		 2lbdA-1exxA:
100.00
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.
2QBM_A_CAMA517_0
(CYTOCHROME P450-CAM)		 4cvu BETA-MANNOSIDASE
(Trichoderma
harzianum) 		4 / 8 THR A 231
VAL A 299
THR A 300
VAL A 272
 None
None
NAG  A1961 ( 4.4A)
None
 0.96A 2qbmA-4cvuA:
undetectable		 2qbmA-4cvuA:
18.35
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.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		 3ii7 KELCH-LIKE PROTEIN 7
(Homo
sapiens) 		4 / 8 GLY A 487
HIS A 474
ASN A 490
GLU A 499
 None
None
EDO  A 961 (-3.7A)
None
 0.94A 2x0pA-3ii7A:
undetectable		 2x0pA-3ii7A:
19.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A9E_B_REAB1_1
(RETINOIC ACID
RECEPTOR ALPHA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		9 / 11 PHE A 230
CYH A 237
LEU A 271
ILE A 275
ARG A 278
PHE A 288
SER A 289
PHE A 304
LEU A 400
 961  A 450 (-3.9A)
961  A 450 (-3.6A)
961  A 450 (-3.6A)
961  A 450 (-3.5A)
961  A 450 (-3.6A)
961  A 450 (-4.6A)
961  A 450 (-2.5A)
961  A 450 (-3.6A)
None
 0.49A 3a9eB-1exxA:
37.9		 3a9eB-1exxA:
77.39
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		6 / 12 ARG A 386
ASP A 388
ALA A 389
GLU A 431
HIS A 497
ASP A 498
 None
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.2A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
 0.62A 3aicA-3k8kA:
6.7		 3aicA-3k8kA:
23.33
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		6 / 12 ARG A 386
ASP A 388
ALA A 389
GLU A 431
HIS A 497
ASP A 498
 None
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.2A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
 0.64A 3aicB-3k8kA:
6.5		 3aicB-3k8kA:
23.33
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		7 / 12 ARG A 386
ASP A 388
ALA A 389
GLU A 431
HIS A 497
ASP A 498
TYR A 114
 None
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.2A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
ACT  A 961 ( 4.4A)
 0.66A 3aicC-3k8kA:
6.7		 3aicC-3k8kA:
23.33
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		6 / 12 ARG A 386
ASP A 388
ALA A 389
GLU A 431
HIS A 497
ASP A 498
 None
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.2A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
 0.70A 3aicD-3k8kA:
6.8		 3aicD-3k8kA:
23.33
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		6 / 12 ARG A 386
ASP A 388
ALA A 389
GLU A 431
HIS A 497
ASP A 498
 None
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.2A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
 0.70A 3aicE-3k8kA:
6.7		 3aicE-3k8kA:
23.33
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		6 / 12 ARG A 386
ASP A 388
ALA A 389
GLU A 431
HIS A 497
ASP A 498
 None
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.2A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
 0.64A 3aicF-3k8kA:
6.7		 3aicF-3k8kA:
23.33
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		6 / 12 ARG A 386
ASP A 388
ALA A 389
GLU A 431
HIS A 497
ASP A 498
 None
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.2A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
 0.60A 3aicG-3k8kA:
6.7		 3aicG-3k8kA:
23.33
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		6 / 12 ARG A 386
ASP A 388
ALA A 389
GLU A 431
HIS A 497
ASP A 498
 None
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.2A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
 0.72A 3aicH-3k8kA:
6.7		 3aicH-3k8kA:
23.33
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.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		3 / 3 CYH A 346
HIS A 344
PHE A 345
 None
None
ACT  A 961 ( 4.2A)
 1.17A 3cr4X-3k8kA:
undetectable		 3cr4X-3k8kA:
8.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LBD_A_9CRA424_1
(RETINOIC ACID
RECEPTOR GAMMA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		5 / 12 LEU A 271
ILE A 275
ARG A 278
SER A 289
ALA A 394
 961  A 450 (-3.6A)
961  A 450 (-3.5A)
961  A 450 (-3.6A)
961  A 450 (-2.5A)
None
 0.98A 3lbdA-1exxA:
40.5		 3lbdA-1exxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LBD_A_9CRA424_1
(RETINOIC ACID
RECEPTOR GAMMA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		12 / 12 PHE A 230
ALA A 234
LEU A 268
LEU A 271
MET A 272
ILE A 275
ARG A 278
SER A 289
PHE A 304
GLY A 393
ALA A 397
ILE A 412
 961  A 450 (-3.9A)
961  A 450 (-3.1A)
961  A 450 ( 4.9A)
961  A 450 (-3.6A)
961  A 450 (-3.1A)
961  A 450 (-3.5A)
961  A 450 (-3.6A)
961  A 450 (-2.5A)
961  A 450 (-3.6A)
961  A 450 ( 4.0A)
961  A 450 ( 4.2A)
961  A 450 ( 4.1A)
 0.48A 3lbdA-1exxA:
40.5		 3lbdA-1exxA:
100.00
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.
4AZT_A_SAMA1472_0
(METHYLTRANSFERASE
WBDD)		 3nd6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Enterococcus
faecalis) 		5 / 12 ALA A  26
ASN A  64
ILE A  34
LEU A  21
ILE A  55
 None
None
None
ATP  A 961 (-4.4A)
None
 1.14A 4aztA-3nd6A:
3.3		 4aztA-3nd6A:
15.56
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.
4AZV_A_SAMA1474_0
(WBDD)		 3nd6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Enterococcus
faecalis) 		6 / 12 ALA A  26
ILE A  33
ASN A  64
ILE A  34
LEU A  21
ILE A  55
 None
None
None
None
ATP  A 961 (-4.4A)
None
 1.18A 4azvA-3nd6A:
3.3		 4azvA-3nd6A:
15.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DM8_A_REAA501_1
(RETINOIC ACID
RECEPTOR BETA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		10 / 11 PHE A 230
CYH A 237
LEU A 268
LEU A 271
ARG A 278
PHE A 288
SER A 289
LEU A 307
LEU A 400
ILE A 412
 961  A 450 (-3.9A)
961  A 450 (-3.6A)
961  A 450 ( 4.9A)
961  A 450 (-3.6A)
961  A 450 (-3.6A)
961  A 450 (-4.6A)
961  A 450 (-2.5A)
961  A 450 (-4.8A)
None
961  A 450 ( 4.1A)
 0.64A 4dm8A-1exxA:
38.4		 4dm8A-1exxA:
79.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DM8_B_REAB1501_1
(RETINOIC ACID
RECEPTOR BETA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		11 / 12 PHE A 201
PHE A 230
LEU A 233
ALA A 234
LEU A 268
LEU A 271
ARG A 278
SER A 289
PHE A 304
GLY A 393
LEU A 400
 961  A 450 (-4.5A)
961  A 450 (-3.9A)
961  A 450 ( 4.0A)
961  A 450 (-3.1A)
961  A 450 ( 4.9A)
961  A 450 (-3.6A)
961  A 450 (-3.6A)
961  A 450 (-2.5A)
961  A 450 (-3.6A)
961  A 450 ( 4.0A)
None
 0.53A 4dm8B-1exxA:
38.6		 4dm8B-1exxA:
79.40
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.
4FEV_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		4 / 7 ASP A 388
ASP A 545
ASP A 498
GLU A 431
 ACT  A 961 (-2.8A)
EDO  A 902 ( 2.7A)
EDO  A 901 (-4.4A)
ACT  A 961 ( 4.3A)
 1.22A 4fevD-3k8kA:
4.2		 4fevD-3k8kA:
17.07
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.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		4 / 8 ASP A 388
ASP A 545
ASP A 498
GLU A 431
 ACT  A 961 (-2.8A)
EDO  A 902 ( 2.7A)
EDO  A 901 (-4.4A)
ACT  A 961 ( 4.3A)
 1.21A 4fewD-3k8kA:
3.0		 4fewD-3k8kA:
17.07
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.
4M7T_A_SAMA503_0
(BTRN)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		5 / 11 TYR A 150
TYR A 114
HIS A 106
LEU A 148
LEU A 385
 None
ACT  A 961 ( 4.4A)
None
None
None
 1.15A 4m7tA-3k8kA:
3.2		 4m7tA-3k8kA:
16.77
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.
4ZE0_A_VORA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3nd6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Enterococcus
faecalis) 		5 / 9 THR A  72
ILE A  38
GLY A   9
LEU A   6
LEU A  82
 None
None
ATP  A 961 ( 3.7A)
None
None
 1.36A 4ze0A-3nd6A:
undetectable		 4ze0A-3nd6A:
17.25
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		5 / 12 ARG A 386
ASP A 388
GLU A 431
HIS A 497
ASP A 498
 None
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
 0.51A 5csyB-3k8kA:
4.8		 5csyB-3k8kA:
22.54
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.
5HG0_B_SAMB301_0
(PANTOTHENATE
SYNTHETASE)		 3nd6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Enterococcus
faecalis) 		5 / 12 GLY A  17
HIS A  18
LEU A  21
GLY A  90
ASP A  96
 ATP  A 961 (-3.4A)
ATP  A 961 (-4.3A)
ATP  A 961 (-4.4A)
ATP  A 961 (-3.7A)
ATP  A 961 ( 3.9A)
 1.05A 5hg0B-3nd6A:
8.8		 5hg0B-3nd6A:
23.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M24_A_9CRA501_1
(RETINOIC ACID
RECEPTOR GAMMA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		12 / 12 TRP A 227
PHE A 230
ALA A 234
LEU A 271
MET A 272
ILE A 275
ARG A 278
SER A 289
PHE A 304
GLY A 393
LEU A 400
ILE A 412
 None
961  A 450 (-3.9A)
961  A 450 (-3.1A)
961  A 450 (-3.6A)
961  A 450 (-3.1A)
961  A 450 (-3.5A)
961  A 450 (-3.6A)
961  A 450 (-2.5A)
961  A 450 (-3.6A)
961  A 450 ( 4.0A)
None
961  A 450 ( 4.1A)
 0.50A 5m24A-1exxA:
41.0		 5m24A-1exxA:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UAN_B_REAB503_1
(RETINOIC ACID
RECEPTOR BETA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		9 / 12 PHE A 230
ALA A 234
CYH A 237
LEU A 268
LEU A 271
ILE A 275
PHE A 288
SER A 289
PHE A 304
 961  A 450 (-3.9A)
961  A 450 (-3.1A)
961  A 450 (-3.6A)
961  A 450 ( 4.9A)
961  A 450 (-3.6A)
961  A 450 (-3.5A)
961  A 450 (-4.6A)
961  A 450 (-2.5A)
961  A 450 (-3.6A)
 0.52A 5uanB-1exxA:
37.6		 5uanB-1exxA:
72.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UAN_B_REAB503_1
(RETINOIC ACID
RECEPTOR BETA)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		7 / 12 PHE A 230
ALA A 234
ILE A 275
PHE A 288
SER A 289
PHE A 304
LEU A 307
 961  A 450 (-3.9A)
961  A 450 (-3.1A)
961  A 450 (-3.5A)
961  A 450 (-4.6A)
961  A 450 (-2.5A)
961  A 450 (-3.6A)
961  A 450 (-4.8A)
 0.57A 5uanB-1exxA:
37.6		 5uanB-1exxA:
72.20
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		7 / 12 TYR A 114
HIS A 154
ASP A 388
LYS A 391
HIS A 392
HIS A 497
ASP A 498
 ACT  A 961 ( 4.4A)
ACT  A 961 (-4.8A)
ACT  A 961 (-2.8A)
None
None
None
EDO  A 901 (-4.4A)
 0.54A 6ag0A-3k8kA:
25.4		 6ag0A-3k8kA:
8.74
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_ACRA610_0
(ALPHA-AMYLASE)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		6 / 12 TYR A 114
HIS A 154
GLU A 397
HIS A 392
HIS A 497
ASP A 498
 ACT  A 961 ( 4.4A)
ACT  A 961 (-4.8A)
None
None
None
EDO  A 901 (-4.4A)
 1.44A 6ag0A-3k8kA:
25.4		 6ag0A-3k8kA:
8.74
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_C_ACRC608_0
(ALPHA-AMYLASE)		 3k8k ALPHA-AMYLASE, SUSG
(Bacteroides
thetaiotaomicron) 		5 / 12 ASP A 388
LYS A 391
HIS A 392
HIS A 497
ASP A 498
 ACT  A 961 (-2.8A)
None
None
None
EDO  A 901 (-4.4A)
 0.41A 6ag0C-3k8kA:
25.5		 6ag0C-3k8kA:
8.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EU9_D_READ601_1
(RETINOIC ACID
RECEPTOR)		 1exx RETINOIC ACID
RECEPTOR GAMMA-2
(Homo
sapiens) 		5 / 7 LEU A 268
PHE A 288
LEU A 294
LEU A 307
GLY A 393
 961  A 450 ( 4.9A)
961  A 450 (-4.6A)
None
961  A 450 (-4.8A)
961  A 450 ( 4.0A)
 0.60A 6eu9D-1exxA:
28.9		 6eu9D-1exxA:
43.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3nd6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Enterococcus
faecalis) 		4 / 5 GLY A   9
HIS A  18
SER A 129
SER A 130
 ATP  A 961 ( 3.7A)
ATP  A 961 (-4.3A)
ATP  A 961 (-3.4A)
ATP  A 961 (-3.6A)
 0.31A 6jmjA-3nd6A:
23.9		 6jmjA-3nd6A:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JNH_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3nd6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Enterococcus
faecalis) 		5 / 7 GLY A   9
PHE A  11
HIS A  18
SER A 129
SER A 130
 ATP  A 961 ( 3.7A)
None
ATP  A 961 (-4.3A)
ATP  A 961 (-3.4A)
ATP  A 961 (-3.6A)
 0.29A 6jnhA-3nd6A:
24.0		 6jnhA-3nd6A:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JNH_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3nd6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Enterococcus
faecalis) 		4 / 7 HIS A  18
ARG A  92
SER A 129
SER A 130
 ATP  A 961 (-4.3A)
ATP  A 961 (-3.5A)
ATP  A 961 (-3.4A)
ATP  A 961 (-3.6A)
 0.85A 6jnhA-3nd6A:
24.0		 6jnhA-3nd6A:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JOG_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3nd6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Enterococcus
faecalis) 		4 / 6 GLY A   9
HIS A  18
SER A 129
SER A 130
 ATP  A 961 ( 3.7A)
ATP  A 961 (-4.3A)
ATP  A 961 (-3.4A)
ATP  A 961 (-3.6A)
 0.35A 6jogA-3nd6A:
23.9		 6jogA-3nd6A:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JOG_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3nd6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Enterococcus
faecalis) 		4 / 6 HIS A  18
ARG A  92
SER A 129
SER A 130
 ATP  A 961 (-4.3A)
ATP  A 961 (-3.5A)
ATP  A 961 (-3.4A)
ATP  A 961 (-3.6A)
 0.86A 6jogA-3nd6A:
23.9		 6jogA-3nd6A:
35.47