SIMILAR PATTERNS OF AMINO ACIDS FOR 1XDK_E_9CRE1500_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. 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.
1air PECTATE LYASE C

(Dickeya
chrysanthemi)
PF00544
(Pec_lyase_C)
5 ILE A  33
ALA A  36
ALA A  35
ALA A  49
VAL A  82
None
0.99A 1xdkE-1airA:
undetectable
1xdkE-1airA:
19.37
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.
1bsg BETA LACTAMASE

(Streptomyces
albus)
PF13354
(Beta-lactamase2)
5 ALA A 280
PHE A 221
ALA A 223
VAL A  57
LEU A  44
None
1.04A 1xdkE-1bsgA:
undetectable
1xdkE-1bsgA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1csj HEPATITIS C VIRUS
RNA POLYMERASE
(NS5B)


(Hepacivirus C)
PF00998
(RdRP_3)
5 ALA A 249
ALA A 174
LEU A 245
ALA A 246
LEU A 285
None
0.95A 1xdkE-1csjA:
undetectable
1xdkE-1csjA:
17.86
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.
1dqu ISOCITRATE LYASE

(Aspergillus
nidulans)
PF00463
(ICL)
5 ILE A 166
ALA A 192
ALA A 191
LEU A  59
ALA A  56
None
0.96A 1xdkE-1dquA:
undetectable
1xdkE-1dquA:
20.04
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.
1e19 CARBAMATE KINASE

(Pyrococcus
furiosus)
PF00696
(AA_kinase)
6 ILE A  37
ALA A  34
LEU A  97
ALA A  96
VAL A   5
LEU A 234
None
0.90A 1xdkE-1e19A:
undetectable
1xdkE-1e19A:
22.92
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.
1fc4 2-AMINO-3-KETOBUTYRA
TE CONENZYME A
LIGASE


(Escherichia
coli)
PF00155
(Aminotran_1_2)
5 ILE A 238
ALA A 255
ALA A 256
LEU A 100
ALA A  97
None
0.96A 1xdkE-1fc4A:
undetectable
1xdkE-1fc4A:
21.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hg4 ULTRASPIRACLE

(Drosophila
melanogaster)
PF00104
(Hormone_recep)
5 TRP A 318
LEU A 366
VAL A 382
CYH A 472
LEU A 476
None
LPP  A   1 ( 4.4A)
LPP  A   1 (-4.8A)
LPP  A   1 ( 4.2A)
LPP  A   1 (-4.2A)
0.71A 1xdkE-1hg4A:
24.7
1xdkE-1hg4A:
43.88
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN


(Oligotropha
carboxidovorans)
PF00111
(Fer2)
PF01799
(Fer2_2)
5 ILE A 149
ALA A 152
ALA A 153
LEU A  90
ALA A  89
None
0.92A 1xdkE-1n60A:
undetectable
1xdkE-1n60A:
19.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens)
PF00104
(Hormone_recep)
5 ALA A 350
TRP A 383
ARG A 394
VAL A 418
LEU A 525
EST  A   1 ( 3.7A)
None
EST  A   1 (-3.7A)
None
EST  A   1 (-3.6A)
1.01A 1xdkE-1pcgA:
25.8
1xdkE-1pcgA:
32.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r20 ULTRASPIRACLE
PROTEIN


(Heliothis
virescens)
PF00104
(Hormone_recep)
5 TRP A 286
ARG A 297
LEU A 325
VAL A 341
LEU A 435
None
None
None
EPH  A4000 (-4.9A)
EPH  A4000 ( 4.6A)
0.72A 1xdkE-1r20A:
24.4
1xdkE-1r20A:
45.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA


(Homo sapiens)
PF00104
(Hormone_recep)
12 ILE A 339
ALA A 342
ALA A 343
GLN A 346
TRP A 376
PHE A 384
ARG A 387
LEU A 397
ALA A 398
VAL A 413
CYH A 503
LEU A 507
MEI  A1001 (-3.8A)
MEI  A1001 (-3.1A)
MEI  A1001 (-3.3A)
None
None
MEI  A1001 (-4.5A)
MEI  A1001 (-3.6A)
MEI  A1001 ( 4.4A)
MEI  A1001 (-3.4A)
MEI  A1001 (-4.1A)
MEI  A1001 (-4.0A)
MEI  A1001 (-4.6A)
0.54A 1xdkE-1uhlA:
35.2
1xdkE-1uhlA:
87.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata)
PF00104
(Hormone_recep)
12 ILE A 242
ALA A 245
ALA A 246
GLN A 249
TRP A 279
PHE A 287
ARG A 290
LEU A 300
ALA A 301
VAL A 316
CYH A 406
LEU A 410
9CR  A 201 ( 4.4A)
9CR  A 201 (-3.6A)
9CR  A 201 (-3.6A)
9CR  A 201 (-4.1A)
None
9CR  A 201 (-4.7A)
9CR  A 201 (-2.8A)
9CR  A 201 (-4.4A)
9CR  A 201 (-3.4A)
9CR  A 201 (-4.2A)
9CR  A 201 (-3.6A)
9CR  A 201 ( 4.8A)
0.45A 1xdkE-1xiuA:
31.6
1xdkE-1xiuA:
81.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA


(Homo sapiens)
PF00104
(Hormone_recep)
12 ILE A 268
ALA A 271
ALA A 272
GLN A 275
TRP A 305
PHE A 313
ARG A 316
LEU A 326
ALA A 327
VAL A 342
CYH A 432
LEU A 436
9CR  A 801 (-3.9A)
9CR  A 801 (-3.6A)
9CR  A 801 (-3.5A)
9CR  A 801 (-4.7A)
None
9CR  A 801 (-4.3A)
9CR  A 801 (-2.6A)
9CR  A 801 (-4.1A)
9CR  A 801 (-3.3A)
9CR  A 801 ( 4.3A)
9CR  A 801 ( 3.7A)
9CR  A 801 (-4.7A)
0.40A 1xdkE-1xlsA:
34.9
1xdkE-1xlsA:
99.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z5x ULTRASPIRACLE
PROTEIN (USP) A
HOMOLOGUE OF RXR


(Bemisia tabaci)
PF00104
(Hormone_recep)
5 ILE U 303
ALA U 306
ALA U 307
LEU U 365
ALA U 362
None
0.91A 1xdkE-1z5xU:
22.1
1xdkE-1z5xU:
68.70
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.
1z69 COENZYME
F420-DEPENDENT
N(5),N(10)-METHYLENE
TETRAHYDROMETHANOPTE
RIN REDUCTASE


(Methanosarcina
barkeri)
PF00296
(Bac_luciferase)
5 ILE A 258
ALA A 257
PHE A 263
LEU A 266
ALA A 265
None
1.04A 1xdkE-1z69A:
undetectable
1xdkE-1z69A:
21.57
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.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
6 ALA A 452
ALA A 451
GLN A 453
LEU A 434
ALA A 435
VAL A 356
None
None
GOL  A3003 ( 3.8A)
None
None
None
1.41A 1xdkE-1zk7A:
undetectable
1xdkE-1zk7A:
19.49
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.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC


(Homo sapiens)
PF01063
(Aminotran_4)
5 ILE A 292
ALA A 296
GLN A 298
VAL A 335
LEU A 359
None
0.96A 1xdkE-2abjA:
undetectable
1xdkE-2abjA:
22.88
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.
2ayx SENSOR KINASE
PROTEIN RCSC


(Escherichia
coli)
PF00072
(Response_reg)
PF09456
(RcsC)
5 ALA A 787
ARG A 767
LEU A 718
ALA A 786
VAL A 746
None
1.04A 1xdkE-2ayxA:
undetectable
1xdkE-2ayxA:
21.09
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.
2cfm THERMOSTABLE DNA
LIGASE


(Pyrococcus
furiosus)
PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C)
5 ALA A 146
ALA A 151
LEU A 111
VAL A 123
LEU A  65
None
1.02A 1xdkE-2cfmA:
undetectable
1xdkE-2cfmA:
17.73
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.
2fv2 RCD1 REQUIRED FOR
CELL
DIFFERENTIATION1
HOMOLOG


(Homo sapiens)
PF04078
(Rcd1)
5 ALA A  85
GLN A  82
LEU A 130
ALA A 129
LEU A  51
None
0.82A 1xdkE-2fv2A:
undetectable
1xdkE-2fv2A:
24.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gl8 RETINOIC ACID
RECEPTOR RXR-GAMMA


(Homo sapiens)
PF00104
(Hormone_recep)
7 TRP A  84
PHE A  92
ARG A  95
LEU A 105
ALA A 106
VAL A 121
CYH A 211
None
0.78A 1xdkE-2gl8A:
27.0
1xdkE-2gl8A:
85.19
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.
2hsd 3-ALPHA, 20
BETA-HYDROXYSTEROID
DEHYDROGENASE


(Streptomyces
exfoliatus)
PF13561
(adh_short_C2)
5 ILE A  11
ALA A  36
GLN A  57
TRP A  67
VAL A 221
None
1.05A 1xdkE-2hsdA:
undetectable
1xdkE-2hsdA:
22.26
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.
2ix5 ACYL-COENZYME A
OXIDASE 4,
PEROXISOMAL


(Arabidopsis
thaliana)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
5 ALA A 101
LEU A 166
ALA A 164
VAL A  74
CYH A  69
None
1.01A 1xdkE-2ix5A:
undetectable
1xdkE-2ix5A:
20.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nxx ULTRASPIRACLE (USP,
NR2B4)


(Tribolium
castaneum)
PF00104
(Hormone_recep)
5 PHE A 259
ARG A 262
LEU A 272
ALA A 273
CYH A 378
None
0.77A 1xdkE-2nxxA:
24.6
1xdkE-2nxxA:
62.96
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.
2p6w PUTATIVE
GLYCOSYLTRANSFERASE
(MANNOSYLTRANSFERASE
) INVOLVED IN
GLYCOSYLATING THE
PBCV-1 MAJOR CAPSID
PROTEIN


(Paramecium
bursaria
Chlorella virus
1)
PF05637
(Glyco_transf_34)
5 ILE A  61
ALA A  64
ALA A  65
LEU A   9
VAL A 136
None
1.02A 1xdkE-2p6wA:
undetectable
1xdkE-2p6wA:
23.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q60 RETINOID X RECEPTOR

(Polyandrocarpa
misakiensis)
PF00104
(Hormone_recep)
6 TRP A 180
PHE A 188
ARG A 191
ALA A 202
VAL A 217
CYH A 307
None
0.51A 1xdkE-2q60A:
26.9
1xdkE-2q60A:
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.
2q8w POKEWEED ANTIVIRAL
PROTEIN


(Phytolacca
acinosa)
PF00161
(RIP)
5 ILE A 214
ALA A 217
ARG A 240
LEU A 222
ALA A 221
None
0.98A 1xdkE-2q8wA:
undetectable
1xdkE-2q8wA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qpm CYTOKININ
DEHYDROGENASE 1


(Zea mays)
PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind)
5 ILE A 315
ALA A 313
LEU A 301
ALA A 302
VAL A 360
None
1.04A 1xdkE-2qpmA:
undetectable
1xdkE-2qpmA:
19.15
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.
2vml PHYCOCYANIN ALPHA
CHAIN
PHYCOCYANIN BETA
CHAIN


(Gloeobacter
violaceus)
PF00502
(Phycobilisome)
5 ALA A  40
ALA A  41
ALA A 150
VAL B  31
LEU B  24
None
0.96A 1xdkE-2vmlA:
undetectable
1xdkE-2vmlA:
20.70
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.
2vsx EUKARYOTIC
INITIATION FACTOR 4F
SUBUNIT P150


(Saccharomyces
cerevisiae)
PF02854
(MIF4G)
5 ILE E 652
ALA E 656
LEU E 614
VAL E 673
LEU E 753
None
1.03A 1xdkE-2vsxE:
undetectable
1xdkE-2vsxE:
27.69
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.
2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA


(Escherichia
coli)
PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone)
5 ILE A  62
ALA A  66
ALA A  65
LEU A  84
ALA A  81
None
1.01A 1xdkE-2xaxA:
undetectable
1xdkE-2xaxA:
17.30
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.
2xgo XCOGT

(Xanthomonas
campestris)
PF13432
(TPR_16)
PF13844
(Glyco_transf_41)
5 ALA A 549
PHE A 228
LEU A 231
ALA A 230
LEU A 328
None
1.03A 1xdkE-2xgoA:
undetectable
1xdkE-2xgoA:
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.
3afg SUBTILISIN-LIKE
SERINE PROTEASE


(Thermococcus
kodakarensis)
PF00082
(Peptidase_S8)
PF04151
(PPC)
5 ILE A 368
ALA A 415
ALA A 416
LEU A 388
ALA A 387
None
0.98A 1xdkE-3afgA:
undetectable
1xdkE-3afgA:
17.41
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.
3am6 RHODOPSIN-2

(Acetabularia
acetabulum)
PF01036
(Bac_rhodopsin)
5 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
None
None
None
None
CLR  A 401 ( 4.6A)
1.01A 1xdkE-3am6A:
undetectable
1xdkE-3am6A:
21.85
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE


(Mycobacterium
tuberculosis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 ALA A 104
ALA A 102
PHE A  31
LEU A  28
ALA A  29
None
1.04A 1xdkE-3ce6A:
undetectable
1xdkE-3ce6A:
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.
3ci0 PSEUDOPILIN GSPK

(Escherichia
coli)
PF03934
(T2SSK)
5 ILE K 218
ALA K 221
LEU K 119
ALA K 118
LEU K 271
None
0.98A 1xdkE-3ci0K:
undetectable
1xdkE-3ci0K:
23.86
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.
3d0q PROTEIN CALG3

(Micromonospora
echinospora)
PF06722
(DUF1205)
5 ILE A 233
ALA A 236
ALA A 237
ALA A 334
LEU A 246
None
0.94A 1xdkE-3d0qA:
undetectable
1xdkE-3d0qA:
23.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA


(Homo sapiens)
PF00104
(Hormone_recep)
PF00105
(zf-C4)
12 ILE A 268
ALA A 271
ALA A 272
GLN A 275
TRP A 305
PHE A 313
ARG A 316
LEU A 326
ALA A 327
VAL A 342
CYH A 432
LEU A 436
9CR  A7223 (-3.9A)
9CR  A7223 (-3.5A)
9CR  A7223 (-4.2A)
9CR  A7223 (-4.6A)
None
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
9CR  A7223 (-3.8A)
9CR  A7223 ( 4.7A)
9CR  A7223 ( 4.5A)
9CR  A7223 (-3.8A)
9CR  A7223 ( 4.7A)
0.67A 1xdkE-3dzuA:
33.7
1xdkE-3dzuA:
99.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3eyb NUCLEAR HORMONE
RECEPTOR RXR


(Branchiostoma
floridae)
PF00104
(Hormone_recep)
5 PHE A 342
LEU A 355
ALA A 356
VAL A 371
CYH A 461
None
0.98A 1xdkE-3eybA:
28.1
1xdkE-3eybA:
84.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3goc ENDONUCLEASE V

(Streptomyces
avermitilis)
PF04493
(Endonuclease_5)
5 ALA A  74
ALA A  59
LEU A 104
ALA A 103
CYH A 113
None
1.04A 1xdkE-3gocA:
undetectable
1xdkE-3gocA:
22.51
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.
3h5k RIBOSOME-INACTIVATIN
G PROTEIN
PD-L1/PD-L2


(Phytolacca
dioica)
PF00161
(RIP)
5 ILE A 214
ALA A 217
ARG A 240
LEU A 222
ALA A 221
None
0.95A 1xdkE-3h5kA:
undetectable
1xdkE-3h5kA:
19.49
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.
3hve GIGAXONIN

(Homo sapiens)
PF00651
(BTB)
PF07707
(BACK)
5 ILE A  47
ALA A  50
ALA A  51
LEU B  20
ALA B  19
None
0.64A 1xdkE-3hveA:
undetectable
1xdkE-3hveA:
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.
3hve GIGAXONIN

(Homo sapiens)
PF00651
(BTB)
PF07707
(BACK)
5 ILE A  47
ALA A  50
LEU B  20
ALA B  19
LEU A  87
None
0.69A 1xdkE-3hveA:
undetectable
1xdkE-3hveA:
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.
3hve GIGAXONIN

(Homo sapiens)
PF00651
(BTB)
PF07707
(BACK)
5 ILE B  47
ALA B  50
ALA B  51
LEU A  20
ALA A  19
None
0.72A 1xdkE-3hveB:
undetectable
1xdkE-3hveB:
18.52
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.
3hve GIGAXONIN

(Homo sapiens)
PF00651
(BTB)
PF07707
(BACK)
5 ILE B  47
ALA B  50
LEU A  20
ALA A  19
LEU B  87
None
0.91A 1xdkE-3hveB:
undetectable
1xdkE-3hveB:
18.52
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.
3ic5 PUTATIVE
SACCHAROPINE
DEHYDROGENASE


(Ruegeria
pomeroyi)
PF03435
(Sacchrp_dh_NADP)
5 ILE A  82
ALA A  85
ALA A  86
LEU A  60
ALA A  61
None
0.80A 1xdkE-3ic5A:
undetectable
1xdkE-3ic5A:
21.43
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.
3ipc ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (AMINO ACID)


(Agrobacterium
fabrum)
PF13458
(Peripla_BP_6)
5 ILE A 286
ALA A 289
ALA A 290
LEU A 305
ALA A 304
None
0.69A 1xdkE-3ipcA:
undetectable
1xdkE-3ipcA:
23.27
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.
3k11 PUTATIVE GLYCOSYL
HYDROLASE


(Bacteroides
thetaiotaomicron)
PF07470
(Glyco_hydro_88)
5 ILE A 228
ALA A 232
ALA A 230
GLN A 233
LEU A 164
None
0.96A 1xdkE-3k11A:
undetectable
1xdkE-3k11A:
19.82
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.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum)
PF01261
(AP_endonuc_2)
5 ILE A 292
ALA A 295
LEU A 324
ALA A 323
VAL A 230
None
0.94A 1xdkE-3ktcA:
undetectable
1xdkE-3ktcA:
20.59
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.
3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2


(Homo sapiens)
PF02020
(W2)
PF02847
(MA3)
5 ALA A 111
GLN A 143
LEU A 144
VAL A 162
LEU A 128
None
None
None
MES  A 361 (-3.6A)
None
1.03A 1xdkE-3l6aA:
undetectable
1xdkE-3l6aA:
22.22
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.
3l8k DIHYDROLIPOYL
DEHYDROGENASE


(Sulfolobus
solfataricus)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 ILE A 176
ALA A 266
ALA A 265
ALA A 143
VAL A 245
None
1.05A 1xdkE-3l8kA:
undetectable
1xdkE-3l8kA:
19.15
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.
3lwg HP0420 HOMOLOGUE

(Helicobacter
felis)
no annotation 5 ILE A  56
ALA A  59
ALA A  60
LEU A  38
ALA A  24
None
0.98A 1xdkE-3lwgA:
undetectable
1xdkE-3lwgA:
20.16
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.
3o0m HIT FAMILY PROTEIN

(Mycolicibacterium
smegmatis)
PF01230
(HIT)
5 ILE A  67
ALA A  70
ALA A  71
LEU A 136
ALA A 135
None
0.66A 1xdkE-3o0mA:
undetectable
1xdkE-3o0mA:
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.
3o10 SACSIN

(Homo sapiens)
PF05168
(HEPN)
5 ALA A4487
ALA A4488
LEU A4451
ALA A4447
LEU A4519
None
0.92A 1xdkE-3o10A:
undetectable
1xdkE-3o10A:
18.49
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.
3oks 4-AMINOBUTYRATE
TRANSAMINASE


(Mycolicibacterium
smegmatis)
PF00202
(Aminotran_3)
5 ILE A 327
ALA A 331
ALA A 330
LEU A 298
ALA A 295
None
0.93A 1xdkE-3oksA:
undetectable
1xdkE-3oksA:
19.69
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N


(Escherichia
coli)
no annotation 5 ILE N 250
ALA N 249
LEU N 119
ALA N 120
LEU N 306
None
0.91A 1xdkE-3rkoN:
undetectable
1xdkE-3rkoN:
19.47
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.
3rmj 2-ISOPROPYLMALATE
SYNTHASE


(Neisseria
meningitidis)
PF00682
(HMGL-like)
6 ILE A 156
ALA A 159
TRP A 201
PHE A 140
ALA A 163
LEU A 189
None
1.32A 1xdkE-3rmjA:
undetectable
1xdkE-3rmjA:
22.10
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.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN


(Escherichia
coli)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF)
5 ALA A 602
ALA A 600
LEU A 622
ALA A 618
VAL A 636
None
1.03A 1xdkE-3ttfA:
undetectable
1xdkE-3ttfA:
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.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN


(Escherichia
coli)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF)
5 ALA A 602
LEU A 622
ALA A 618
VAL A 636
LEU A 655
None
1.01A 1xdkE-3ttfA:
undetectable
1xdkE-3ttfA:
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.
3uc2 HYPOTHETICAL PROTEIN
WITH
IMMUNOGLOBULIN-LIKE
FOLD


(Pseudomonas
aeruginosa)
PF14467
(DUF4426)
5 ILE A  59
ALA A 103
GLN A 104
PHE A 105
LEU A  88
None
1.03A 1xdkE-3uc2A:
undetectable
1xdkE-3uc2A:
20.09
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.
3upn PENICILLIN-BINDING
PROTEIN A


(Mycobacterium
tuberculosis)
PF00905
(Transpeptidase)
5 ALA A 231
ALA A 232
LEU A 298
ALA A 297
LEU A 243
None
1.05A 1xdkE-3upnA:
undetectable
1xdkE-3upnA:
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.
3upn PENICILLIN-BINDING
PROTEIN A


(Mycobacterium
tuberculosis)
PF00905
(Transpeptidase)
5 ALA A 231
ALA A 232
LEU A 298
ALA A 297
LEU A 274
None
0.96A 1xdkE-3upnA:
undetectable
1xdkE-3upnA:
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.
3ut2 CATALASE-PEROXIDASE
2


(Magnaporthe
oryzae)
PF00141
(peroxidase)
5 ILE A 505
ALA A 593
ALA A 592
LEU A 516
ALA A 517
None
1.05A 1xdkE-3ut2A:
undetectable
1xdkE-3ut2A:
14.23
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.
3w3s TYPE-2 SERINE--TRNA
LIGASE


(Methanopyrus
kandleri)
PF00587
(tRNA-synt_2b)
5 ALA A  76
ALA A  77
LEU A  38
VAL A  26
LEU A  11
None
1.05A 1xdkE-3w3sA:
undetectable
1xdkE-3w3sA:
19.47
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.
3wc3 ENDO-1,
4-BETA-GLUCANASE


(Eisenia fetida)
PF00759
(Glyco_hydro_9)
5 ALA A 178
ALA A 177
PHE A  87
ALA A  86
LEU A 280
None
1.06A 1xdkE-3wc3A:
undetectable
1xdkE-3wc3A:
18.57
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.
3wuy NITRILASE

(Synechocystis
sp. PCC 6803)
PF00795
(CN_hydrolase)
5 ILE A  93
ALA A  96
ALA A  97
LEU A  35
VAL A 108
None
1.03A 1xdkE-3wuyA:
undetectable
1xdkE-3wuyA:
24.36
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.
3wxw ADIPONECTIN RECEPTOR
PROTEIN 2


(Homo sapiens)
PF03006
(HlyIII)
5 ILE A 322
ALA A 325
ALA A 326
LEU A 283
ALA A 279
None
0.67A 1xdkE-3wxwA:
undetectable
1xdkE-3wxwA:
23.05
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.
3zil AAR187CP

(Eremothecium
gossypii)
PF16997
(Wap1)
6 ILE A 359
ALA A 356
TRP A 338
LEU A 397
ALA A 393
LEU A 335
None
1.41A 1xdkE-3zilA:
undetectable
1xdkE-3zilA:
20.93
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.
3zrg PEXRD2 FAMILY
SECRETED RXLR
EFFECTOR PEPTIDE,
PUTATIVE


(Phytophthora
infestans)
no annotation 6 ILE A  86
ALA A  89
ALA A  90
LEU A  99
ALA A  95
VAL A  73
None
None
None
BR  A1122 ( 4.5A)
None
None
1.48A 1xdkE-3zrgA:
undetectable
1xdkE-3zrgA:
15.97
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.
4b8b GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1


(Saccharomyces
cerevisiae)
PF16417
(CNOT1_TTP_bind)
PF16418
(CNOT1_HEAT)
PF16419
(CNOT1_HEAT_N)
6 ILE A 741
ALA A 744
ALA A 745
LEU A 714
ALA A 715
VAL A 728
None
1.14A 1xdkE-4b8bA:
undetectable
1xdkE-4b8bA:
17.22
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.
4i59 CYCLOHEXYLAMINE
OXIDASE


(Microbacterium
oxydans)
PF01593
(Amino_oxidase)
5 ALA A 471
ALA A 470
LEU A  50
ALA A  49
VAL A 273
None
0.93A 1xdkE-4i59A:
undetectable
1xdkE-4i59A:
18.57
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.
4ia4 AQUAPORIN

(Spinacia
oleracea)
PF00230
(MIP)
5 ALA A 257
ALA A 258
GLN A 261
LEU A 110
ALA A 111
None
0.83A 1xdkE-4ia4A:
undetectable
1xdkE-4ia4A:
22.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1


(Homo sapiens)
no annotation 12 ILE D 268
ALA D 271
ALA D 272
GLN D 275
TRP D 305
PHE D 313
ARG D 316
LEU D 326
ALA D 327
VAL D 342
CYH D 432
LEU D 436
None
0.58A 1xdkE-4j5xD:
34.1
1xdkE-4j5xD:
99.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1


(Homo sapiens)
no annotation 6 ILE D 268
ALA D 271
GLN D 275
PHE D 313
VAL D 342
CYH D 432
None
1.44A 1xdkE-4j5xD:
34.1
1xdkE-4j5xD:
99.15
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.
4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6


(Homo sapiens)
PF00069
(Pkinase)
5 ILE A 503
GLN A 660
LEU A 631
VAL A 493
LEU A 667
None
1.03A 1xdkE-4ks8A:
undetectable
1xdkE-4ks8A:
23.10
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.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)


(Bradyrhizobium
elkanii)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 ALA A  93
ALA A  91
PHE A  20
LEU A  17
ALA A  18
None
1.06A 1xdkE-4lvcA:
undetectable
1xdkE-4lvcA:
21.12
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.
4mij TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT


(Polaromonas sp.
JS666)
PF03480
(DctP)
5 ILE A 261
ALA A 265
ALA A 264
LEU A 146
ALA A 147
None
1.03A 1xdkE-4mijA:
undetectable
1xdkE-4mijA:
24.04
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.
4nn1 TRANSCRIPTIONAL
REGULATOR


(Mycobacterium
tuberculosis)
PF00440
(TetR_N)
5 ILE A  12
ALA A  15
ALA A  16
GLN A  19
ALA A  35
None
0.54A 1xdkE-4nn1A:
undetectable
1xdkE-4nn1A:
26.02
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.
4o5a LACI FAMILY
TRANSCRIPTION
REGULATOR


(Bifidobacterium
animalis)
PF13377
(Peripla_BP_3)
5 ALA A 309
ALA A 308
LEU A  96
ALA A  95
LEU A 133
None
0.94A 1xdkE-4o5aA:
undetectable
1xdkE-4o5aA:
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.
4p47 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT


(Ochrobactrum
anthropi)
PF03480
(DctP)
5 ILE A 260
ALA A 264
ALA A 263
LEU A 144
ALA A 145
None
0.96A 1xdkE-4p47A:
undetectable
1xdkE-4p47A:
22.73
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.
4rrj PROBABLE
THREONINE--TRNA
LIGASE 2


(Aeropyrum
pernix)
PF08915
(tRNA-Thr_ED)
5 ILE A  58
ALA A  55
ALA A  54
LEU A  99
ALA A  98
None
0.98A 1xdkE-4rrjA:
undetectable
1xdkE-4rrjA:
22.84
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.
4x9n L-ALPHA-GLYCEROPHOSP
HATE OXIDASE


(Mycoplasma
pneumoniae)
PF01266
(DAO)
5 ALA A 209
ALA A 208
LEU A 216
ALA A 213
VAL A 202
FAD  A 401 (-3.6A)
None
None
None
None
0.91A 1xdkE-4x9nA:
undetectable
1xdkE-4x9nA:
19.18
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.
4xbo TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ


(Escherichia
coli)
PF00588
(SpoU_methylase)
6 ALA A  53
ALA A  22
LEU A  49
ALA A  50
VAL A  40
LEU A   9
None
1.11A 1xdkE-4xboA:
undetectable
1xdkE-4xboA:
23.13
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.
4xgj UNCHARACTERIZED
PROTEIN


(Pectobacterium
atrosepticum)
PF07005
(DUF1537)
PF17042
(DUF1357_C)
6 ILE A 211
ALA A 214
ALA A 215
LEU A 183
ALA A 184
LEU A 230
None
1.06A 1xdkE-4xgjA:
undetectable
1xdkE-4xgjA:
19.96
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.
4xgj UNCHARACTERIZED
PROTEIN


(Pectobacterium
atrosepticum)
PF07005
(DUF1537)
PF17042
(DUF1357_C)
5 ILE A 350
ALA A 353
LEU A 299
VAL A 251
LEU A 386
None
1.02A 1xdkE-4xgjA:
undetectable
1xdkE-4xgjA:
19.96
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.
4yk2 BARTONELLA EFFECTOR
PROTEIN (BEP)
SUBSTRATE OF VIRB
T4SS


(Bartonella
clarridgeiae)
no annotation 5 ILE A 160
ALA A 156
PHE A 103
LEU A 140
ALA A 141
None
0.88A 1xdkE-4yk2A:
undetectable
1xdkE-4yk2A:
20.34
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.
4zoh PUTATIVE
OXIDOREDUCTASE
FAD-BINDING SUBUNIT


(Sulfurisphaera
tokodaii)
PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C)
5 ILE B 236
ALA B 239
ALA B 240
LEU B 226
ALA B 222
None
1.02A 1xdkE-4zohB:
undetectable
1xdkE-4zohB:
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.
5gt5 PECTATE LYASE

(Paenibacillus
sp. 0602)
no annotation 5 ILE A 117
ALA A 116
ALA A 115
PHE A 132
LEU A  39
None
0.96A 1xdkE-5gt5A:
undetectable
1xdkE-5gt5A:
20.05
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.
5iuw ALDEHYDE
DEHYDROGENASE FAMILY
PROTEIN


(Pseudomonas
syringae group
genomosp. 3)
no annotation 5 ILE A 294
ALA A 291
ALA A 290
LEU A 326
ALA A 325
None
1.06A 1xdkE-5iuwA:
undetectable
1xdkE-5iuwA:
20.29
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.
5j5v IMMUNITY PROTEIN
CDII


(Escherichia
coli)
no annotation 5 ILE C  30
ALA C  46
GLN C  49
PHE C  27
LEU C  35
None
1.06A 1xdkE-5j5vC:
undetectable
1xdkE-5j5vC:
18.72
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.
5lnq 3-KETOACYL-COA
THIOLASE-LIKE
PROTEIN


(Leishmania
mexicana)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
5 ALA A 142
GLN A  75
LEU A 137
ALA A 136
LEU A  66
None
1.06A 1xdkE-5lnqA:
undetectable
1xdkE-5lnqA:
19.59
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.
5n0g PRECORRIN-8X
METHYLMUTASE


(Rhodobacter
capsulatus)
no annotation 6 ILE A  73
ALA A  71
ALA A 130
LEU A  67
ALA A  66
VAL A  80
None
1.20A 1xdkE-5n0gA:
undetectable
1xdkE-5n0gA:
18.03
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.
5oaf RUVB-LIKE 1

(Homo sapiens)
no annotation 5 ALA A  82
GLN A  85
PHE A  93
LEU A  87
VAL A  66
None
1.05A 1xdkE-5oafA:
undetectable
1xdkE-5oafA:
18.03
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.
5ohs -

(-)
no annotation 5 ILE A 257
ALA A 260
PHE A 541
LEU A 538
ALA A 539
None
0.87A 1xdkE-5ohsA:
undetectable
1xdkE-5ohsA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA


(Homo sapiens)
no annotation 12 ILE A 268
ALA A 271
ALA A 272
GLN A 275
TRP A 305
PHE A 313
ARG A 316
LEU A 326
ALA A 327
VAL A 342
CYH A 432
LEU A 436
9CR  A 503 (-4.0A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.8A)
None
9CR  A 503 (-4.7A)
9CR  A 503 (-3.0A)
9CR  A 503 (-4.3A)
9CR  A 503 (-3.4A)
None
9CR  A 503 (-3.3A)
9CR  A 503 ( 4.8A)
0.55A 1xdkE-5uanA:
34.4
1xdkE-5uanA:
99.16
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.
5xyi RIBOSOMAL PROTEIN
S19E, PUTATIVE


(Trichomonas
vaginalis)
PF01090
(Ribosomal_S19e)
5 ILE T  68
ALA T  65
ALA T  64
LEU T  25
ALA T  26
None
0.97A 1xdkE-5xyiT:
undetectable
1xdkE-5xyiT:
19.92
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.
5xyi RIBOSOMAL PROTEIN
S19E, PUTATIVE


(Trichomonas
vaginalis)
PF01090
(Ribosomal_S19e)
5 ILE T  68
ALA T  65
LEU T  25
ALA T  26
LEU T 111
None
0.98A 1xdkE-5xyiT:
undetectable
1xdkE-5xyiT:
19.92
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY


(Thermobifida
fusca)
no annotation 5 ILE A  71
LEU A 273
ALA A 268
VAL A 182
LEU A  44
None
0.99A 1xdkE-6c66A:
undetectable
1xdkE-6c66A:
21.46
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.
6d95 -

(-)
no annotation 5 ILE A 129
ALA A 132
ALA A 133
LEU A 267
ALA A 266
None
0.57A 1xdkE-6d95A:
undetectable
1xdkE-6d95A:
undetectable
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.
6g96 ACETYLTRANSFERASE

(Salmonella
enterica)
no annotation 5 TRP B 142
LEU B 169
ALA B 168
VAL B  64
LEU B  95
ACO  B 201 ( 3.9A)
None
None
None
ACO  B 201 (-4.6A)
1.04A 1xdkE-6g96B:
undetectable
1xdkE-6g96B:
16.26