SIMILAR PATTERNS OF AMINO ACIDS FOR 4XI3_B_29SB601_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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 ALA B 173
LEU B 153
LEU B 152
ILE B 493
GLY B 491
 None
 0.99A 4xi3B-1a6dB:
2.1		 4xi3B-1a6dB:
18.40
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.
1as4 ANTICHYMOTRYPSIN

(Homo sapiens) 		PF00079
(Serpin) 		6 THR A  59
ALA A  60
LEU A 184
LEU A 299
GLY A  79
LEU A  80
 None
 1.29A 4xi3B-1as4A:
undetectable		 4xi3B-1as4A:
23.75
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.
1dkr PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE

(Bacillus
subtilis) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		5 ALA A 301
LEU A 314
ILE A 155
GLY A 152
LEU A 132
 None
 1.00A 4xi3B-1dkrA:
undetectable		 4xi3B-1dkrA:
22.47
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.
1es6 MATRIX PROTEIN VP40

(Ebola virus sp.) 		PF07447
(VP40) 		5 LEU A  75
LEU A 149
GLY A 139
LEU A 138
PRO A  53
 None
 1.03A 4xi3B-1es6A:
undetectable		 4xi3B-1es6A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 THR A 179
ALA A 567
LEU A 565
TRP A 595
LEU A 574
 None
 0.98A 4xi3B-1g8kA:
undetectable		 4xi3B-1g8kA:
16.12
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.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 172
ALA A 169
ASP A 168
ILE A 192
GLY A 194
 NAJ  A1361 (-3.4A)
None
ZN  A1362 (-2.7A)
None
NAJ  A1361 (-3.6A)
 1.01A 4xi3B-1h2bA:
undetectable		 4xi3B-1h2bA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ih5 AQUAPORIN-1

(Homo sapiens) 		PF00230
(MIP) 		5 ALA A  20
LEU A  63
ILE A  70
GLY A  72
LEU A  75
 None
 0.93A 4xi3B-1ih5A:
undetectable		 4xi3B-1ih5A:
21.31
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) 		8 ALA A 350
ASP A 351
TRP A 383
LEU A 387
LEU A 391
ARG A 394
GLY A 521
LEU A 525
 EST  A   1 ( 3.7A)
None
None
EST  A   1 (-4.0A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.6A)
 0.81A 4xi3B-1pcgA:
32.7		 4xi3B-1pcgA:
97.93
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) 		8 THR A 347
ALA A 350
TRP A 383
LEU A 387
LEU A 391
ARG A 394
GLY A 521
LEU A 525
 None
EST  A   1 ( 3.7A)
None
EST  A   1 (-4.0A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.6A)
 0.67A 4xi3B-1pcgA:
32.7		 4xi3B-1pcgA:
97.93
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) 		8 THR A 347
ALA A 350
TRP A 383
LEU A 387
LEU A 391
ARG A 394
ILE A 424
GLY A 521
 None
EST  A   1 ( 3.7A)
None
EST  A   1 (-4.0A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
EST  A   1 ( 4.1A)
 0.35A 4xi3B-1pcgA:
32.7		 4xi3B-1pcgA:
97.93
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.
1q3s THERMOSOME ALPHA
SUBUNIT

(Thermococcus
sp. JCM 11816) 		PF00118
(Cpn60_TCP1) 		5 ALA A 175
LEU A 155
LEU A 154
ILE A 495
GLY A 493
 None
 0.96A 4xi3B-1q3sA:
undetectable		 4xi3B-1q3sA:
15.47
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.
1qcx PECTIN LYASE B

(Aspergillus
niger) 		PF00544
(Pec_lyase_C) 		5 THR A  28
ASP A  29
LEU A 126
ILE A 145
GLY A 100
 None
 0.93A 4xi3B-1qcxA:
undetectable		 4xi3B-1qcxA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qmn ALPHA-1-ANTICHYMOTRY
PSIN

(Homo sapiens) 		PF00079
(Serpin) 		6 THR A  59
ALA A  60
LEU A 184
LEU A 299
GLY A  79
LEU A  80
 None
 1.33A 4xi3B-1qmnA:
undetectable		 4xi3B-1qmnA:
23.78
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.
1r20 ULTRASPIRACLE
PROTEIN

(Heliothis
virescens) 		PF00104
(Hormone_recep) 		5 TRP A 286
LEU A 290
ARG A 297
ILE A 344
LEU A 435
 None
EPH  A4000 ( 4.8A)
None
EPH  A4000 ( 4.1A)
EPH  A4000 ( 4.6A)
 0.76A 4xi3B-1r20A:
23.5		 4xi3B-1r20A:
28.15
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A 102
LEU A 147
ARG A  27
GLY A 137
LEU A 156
 None
None
None
UMA  A 963 (-4.3A)
None
 0.99A 4xi3B-1uagA:
undetectable		 4xi3B-1uagA:
21.68
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) 		6 ALA A 343
ASP A 344
TRP A 376
LEU A 380
ARG A 387
LEU A 507
 MEI  A1001 (-3.3A)
None
None
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
MEI  A1001 (-4.6A)
 1.03A 4xi3B-1uhlA:
22.6		 4xi3B-1uhlA:
30.92
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) 		6 ALA A 343
TRP A 376
LEU A 380
ARG A 387
ILE A 499
GLY A 500
 MEI  A1001 (-3.3A)
None
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
None
None
 1.04A 4xi3B-1uhlA:
22.6		 4xi3B-1uhlA:
30.92
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.
1wxj TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00290
(Trp_syntA) 		5 ALA A 231
LEU A 232
LEU A 245
GLY A 252
PRO A  20
 None
 0.83A 4xi3B-1wxjA:
undetectable		 4xi3B-1wxjA:
24.41
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		6 ALA A 246
ASP A 247
TRP A 279
LEU A 283
ARG A 290
LEU A 410
 9CR  A 201 (-3.6A)
None
None
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
9CR  A 201 ( 4.8A)
 1.08A 4xi3B-1xiuA:
22.4		 4xi3B-1xiuA:
29.96
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		6 ALA A 246
LEU A 250
TRP A 279
ARG A 290
ILE A 402
GLY A 403
 9CR  A 201 (-3.6A)
None
None
9CR  A 201 (-2.8A)
None
None
 1.08A 4xi3B-1xiuA:
22.4		 4xi3B-1xiuA:
29.96
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		6 ALA A 246
TRP A 279
LEU A 283
ARG A 290
ILE A 402
GLY A 403
 9CR  A 201 (-3.6A)
None
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
None
None
 0.95A 4xi3B-1xiuA:
22.4		 4xi3B-1xiuA:
29.96
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) 		5 ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
 9CR  A 801 (-3.5A)
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
None
None
 0.99A 4xi3B-1xlsA:
22.8		 4xi3B-1xlsA:
31.10
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) 		5 ALA A 272
TRP A 305
LEU A 309
ARG A 316
GLY A 429
 9CR  A 801 (-3.5A)
None
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
None
 0.91A 4xi3B-1xlsA:
22.8		 4xi3B-1xlsA:
31.10
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) 		5 ALA A 272
TRP A 305
LEU A 309
ARG A 316
LEU A 436
 9CR  A 801 (-3.5A)
None
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
9CR  A 801 (-4.7A)
 0.92A 4xi3B-1xlsA:
22.8		 4xi3B-1xlsA:
31.10
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) 		5 ALA A 272
TRP A 305
LEU A 309
ILE A 345
LEU A 436
 9CR  A 801 (-3.5A)
None
9CR  A 801 (-4.2A)
9CR  A 801 ( 4.5A)
9CR  A 801 (-4.7A)
 0.86A 4xi3B-1xlsA:
22.8		 4xi3B-1xlsA:
31.10
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.
1y7o ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Streptococcus
pneumoniae) 		PF00574
(CLP_protease) 		5 THR A 149
LEU A 143
ILE A 101
GLY A  72
LEU A  73
 None
 0.86A 4xi3B-1y7oA:
undetectable		 4xi3B-1y7oA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fc3 50S RIBOSOMAL
PROTEIN L7AE

(Aeropyrum
pernix) 		PF01248
(Ribosomal_L7Ae) 		5 THR A  39
ALA A 100
LEU A  50
ILE A  92
GLY A  87
 None
 1.02A 4xi3B-2fc3A:
undetectable		 4xi3B-2fc3A:
19.05
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.
2fvg ENDOGLUCANASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		5 ALA A 160
LEU A   3
LEU A 315
GLY A 239
LEU A 238
 None
 1.00A 4xi3B-2fvgA:
undetectable		 4xi3B-2fvgA:
21.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 272
ASP A 273
TRP A 305
LEU A 309
ARG A 316
 OHT  A 500 (-3.5A)
OHT  A 500 (-3.1A)
None
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
 0.39A 4xi3B-2gpvA:
26.3		 4xi3B-2gpvA:
36.65
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.
2j5g ALR4455 PROTEIN

(Nostoc sp. PCC
7120) 		PF00378
(ECH_1) 		5 LEU D 103
LEU D 104
ARG D 221
ILE D 236
GLY D  96
 None
 0.97A 4xi3B-2j5gD:
undetectable		 4xi3B-2j5gD:
22.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 THR A 347
ALA A 350
TRP A 383
LEU A 387
ARG A 394
GLY A 521
LEU A 525
 None
EST  A 596 ( 3.9A)
None
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.0A)
EST  A 596 (-3.6A)
 0.87A 4xi3B-2ocfA:
32.0		 4xi3B-2ocfA:
98.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 THR A 347
ALA A 350
TRP A 383
LEU A 387
LEU A 391
ARG A 394
ILE A 424
GLY A 521
 None
EST  A 596 ( 3.9A)
None
EST  A 596 ( 4.2A)
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
 0.56A 4xi3B-2ocfA:
32.0		 4xi3B-2ocfA:
98.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 THR A 347
LEU A 354
TRP A 383
LEU A 391
ARG A 394
 None
None
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
 0.82A 4xi3B-2ocfA:
32.0		 4xi3B-2ocfA:
98.77
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.
2qk2 LP04448P

(Drosophila
melanogaster) 		PF12348
(CLASP_N) 		5 ALA A 474
ILE A 490
GLY A 464
LEU A 466
PRO A 429
 None
 1.00A 4xi3B-2qk2A:
undetectable		 4xi3B-2qk2A:
23.97
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.
2w8s PHOSPHONATE
MONOESTER HYDROLASE

(Paraburkholderia
caryophylli) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 THR A 193
ALA A 196
LEU A 200
LEU A 210
LEU A 102
 None
 0.89A 4xi3B-2w8sA:
undetectable		 4xi3B-2w8sA:
17.84
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.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 ALA A 304
LEU A 384
LEU A 380
GLY A 360
PRO A 675
 None
 1.01A 4xi3B-2x05A:
undetectable		 4xi3B-2x05A:
13.29
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.
2xfb E2 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		PF00943
(Alpha_E2_glycop) 		5 ALA B 167
LEU B 147
ARG B 144
LEU B 175
PRO B 170
 None
 0.89A 4xi3B-2xfbB:
undetectable		 4xi3B-2xfbB:
20.54
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.
2xfc E2 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		PF00943
(Alpha_E2_glycop) 		5 ALA B 167
LEU B 147
ARG B 144
LEU B 175
PRO B 170
 None
 0.74A 4xi3B-2xfcB:
undetectable		 4xi3B-2xfcB:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xhs NUCLEAR HORMONE
RECEPTOR FTZ-F1

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		5 ASP A 838
TRP A 870
LEU A 874
GLY A 998
LEU A1002
 None
 0.91A 4xi3B-2xhsA:
18.3		 4xi3B-2xhsA:
26.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 ALA A 405
LEU A 385
GLY A 355
LEU A 358
PRO A 397
 None
None
B12  A 800 ( 4.4A)
None
None
 0.98A 4xi3B-2xijA:
undetectable		 4xi3B-2xijA:
15.88
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Prochlorococcus
marinus) 		PF00148
(Oxidored_nitro)
PF08369
(PCP_red) 		5 THR D  37
ALA D  39
ASP D  40
GLY D  92
PRO D  54
 GOL  C1412 (-3.5A)
None
None
None
None
 0.90A 4xi3B-2ynmD:
undetectable		 4xi3B-2ynmD:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3clj PROTEIN NRD1

(Saccharomyces
cerevisiae) 		PF04818
(CTD_bind) 		5 ALA A 112
ASP A 111
LEU A 108
LEU A  66
GLY A  23
 None
 0.77A 4xi3B-3cljA:
undetectable		 4xi3B-3cljA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dh9 THIOREDOXIN
REDUCTASE 1

(Drosophila
melanogaster) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 284
LEU A 282
LEU A 191
ILE A 242
GLY A 204
 None
 0.96A 4xi3B-3dh9A:
undetectable		 4xi3B-3dh9A:
19.25
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 ALA A 272
ASP A 273
LEU A 276
TRP A 305
LEU A 309
ARG A 316
 9CR  A7223 (-4.2A)
None
None
None
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
 1.25A 4xi3B-3dzuA:
22.7		 4xi3B-3dzuA:
19.29
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 ALA A 272
ASP A 273
TRP A 305
LEU A 309
ARG A 316
LEU A 436
 9CR  A7223 (-4.2A)
None
None
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
9CR  A7223 ( 4.7A)
 1.04A 4xi3B-3dzuA:
22.7		 4xi3B-3dzuA:
19.29
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		7 ALA A 272
LEU A 276
TRP A 305
LEU A 309
ARG A 316
ILE A 428
GLY A 429
 9CR  A7223 (-4.2A)
None
None
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
None
None
 1.03A 4xi3B-3dzuA:
22.7		 4xi3B-3dzuA:
19.29
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.
3ewn THIJ/PFPI FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF01965
(DJ-1_PfpI) 		5 THR A 264
ALA A 267
ASP A 268
LEU A 158
GLY A 204
 None
 0.76A 4xi3B-3ewnA:
undetectable		 4xi3B-3ewnA:
22.03
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.
3g87 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Burkholderia
pseudomallei) 		PF00698
(Acyl_transf_1) 		5 THR A  33
ALA A  36
ASP A  37
LEU A 111
LEU A  72
 None
 1.01A 4xi3B-3g87A:
undetectable		 4xi3B-3g87A:
21.66
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.
3icl EAL/GGDEF DOMAIN
PROTEIN

(Methylococcus
capsulatus) 		PF00990
(GGDEF) 		5 ALA A  66
LEU A 102
ILE A 124
GLY A  94
LEU A  85
 None
 0.99A 4xi3B-3iclA:
undetectable		 4xi3B-3iclA:
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.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		5 THR A  48
ALA A  51
ASP A  52
LEU A  55
PRO A  68
 None
 0.83A 4xi3B-3l0zA:
undetectable		 4xi3B-3l0zA:
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.
3n40 P62 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		PF00943
(Alpha_E2_glycop)
PF01563
(Alpha_E3_glycop) 		5 ALA P 167
LEU P 147
ARG P 144
LEU P 175
PRO P 170
 None
None
ACT  P   2 (-3.8A)
None
None
 0.88A 4xi3B-3n40P:
undetectable		 4xi3B-3n40P:
19.46
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.
3nrh UNCHARACTERIZED
PROTEIN BF1032

(Bacteroides
fragilis) 		PF16702
(DUF5063) 		5 ALA A  20
TRP A 153
LEU A  49
LEU A  48
LEU A  56
 None
 0.94A 4xi3B-3nrhA:
undetectable		 4xi3B-3nrhA:
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.
3pfo PUTATIVE
ACETYLORNITHINE
DEACETYLASE

(Rhodopseudomonas
palustris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 THR A 416
ALA A 154
LEU A 105
ILE A 199
GLY A 109
 None
 1.02A 4xi3B-3pfoA:
undetectable		 4xi3B-3pfoA:
20.42
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.
3pv4 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		6 THR A 209
ALA A 224
LEU A 197
LEU A 204
ILE A  20
GLY A 146
 None
 1.36A 4xi3B-3pv4A:
undetectable		 4xi3B-3pv4A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r5t FERRIC VIBRIOBACTIN
ABC TRANSPORTER,
PERIPLASMIC FERRIC
VIBRIOBACTIN-BINDING
PROTEIN

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		5 THR A  60
ALA A  58
ASP A 126
ILE A  68
LEU A 154
 None
None
VBN  A   1 (-3.7A)
None
None
 0.89A 4xi3B-3r5tA:
undetectable		 4xi3B-3r5tA:
22.77
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.
3uoe DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02615
(Ldh_2) 		5 THR A 316
ALA A 314
LEU A  34
ARG A   9
GLY A  40
 None
 1.00A 4xi3B-3uoeA:
undetectable		 4xi3B-3uoeA:
22.25
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.
3wwx S12 FAMILY PEPTIDASE

(Streptomyces
sp. 82F2) 		PF00144
(Beta-lactamase) 		6 THR A  90
ALA A  93
LEU A  97
ARG A 132
GLY A 290
LEU A 287
 None
 1.39A 4xi3B-3wwxA:
undetectable		 4xi3B-3wwxA:
21.37
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.
4bpl IMPORTIN SUBUNIT
ALPHA-1A

(Oryza sativa) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 THR A 240
ALA A 243
LEU A 206
GLY A 200
LEU A 197
 None
 1.02A 4xi3B-4bplA:
undetectable		 4xi3B-4bplA:
19.78
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.
4bv6 APOPTOSIS-INDUCING
FACTOR 1,
MITOCHONDRIAL

(Homo sapiens) 		PF07992
(Pyr_redox_2)
PF14721
(AIF_C) 		5 LEU A 502
LEU A 568
ILE A 592
GLY A 496
LEU A 447
 None
 1.03A 4xi3B-4bv6A:
undetectable		 4xi3B-4bv6A:
17.23
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.
4gb7 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Bacillus
anthracis) 		PF00144
(Beta-lactamase) 		6 THR A 161
ALA A 162
ASP A 163
LEU A 169
GLY A 241
PRO A 173
 None
 1.40A 4xi3B-4gb7A:
undetectable		 4xi3B-4gb7A:
22.07
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.
4gb7 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Bacillus
anthracis) 		PF00144
(Beta-lactamase) 		6 THR A 161
ALA A 162
ASP A 163
LEU A 182
GLY A 241
PRO A 173
 None
 1.18A 4xi3B-4gb7A:
undetectable		 4xi3B-4gb7A:
22.07
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 234
ASP A 235
LEU A 271
LEU A 266
LEU A 758
 None
 1.01A 4xi3B-4iigA:
undetectable		 4xi3B-4iigA:
14.13
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.
4ip4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Ruegeria sp.
TM1040) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 418
LEU A 421
LEU A  12
ILE A 410
GLY A  49
 None
 1.03A 4xi3B-4ip4A:
undetectable		 4xi3B-4ip4A:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 6 ALA D 272
LEU D 276
TRP D 305
ARG D 316
ILE D 428
GLY D 429
 None
 1.12A 4xi3B-4j5xD:
23.0		 4xi3B-4j5xD:
29.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 6 ALA D 272
TRP D 305
LEU D 309
ARG D 316
ILE D 428
GLY D 429
 None
 0.98A 4xi3B-4j5xD:
23.0		 4xi3B-4j5xD:
29.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 5 ASP D 273
TRP D 305
LEU D 309
ARG D 316
LEU D 436
 None
 0.99A 4xi3B-4j5xD:
23.0		 4xi3B-4j5xD:
29.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 5 ALA E 290
LEU E 288
LEU E 194
ILE E 245
GLY E 207
 None
 0.93A 4xi3B-4kprE:
undetectable		 4xi3B-4kprE:
18.16
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.
4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		5 THR A 209
ALA A 212
LEU A 170
ILE A 261
GLY A 260
 None
 0.93A 4xi3B-4kzkA:
undetectable		 4xi3B-4kzkA:
18.71
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.
4l69 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Mycobacterium
tuberculosis) 		PF04452
(Methyltrans_RNA) 		5 ALA A 236
LEU A 237
LEU A 196
ILE A 204
GLY A 199
 None
 1.00A 4xi3B-4l69A:
undetectable		 4xi3B-4l69A:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0l PREDICTED COMPONENT
OF A
THERMOPHILE-SPECIFIC
DNA REPAIR SYSTEM,
CONTAINS A RAMP
DOMAIN

(Methanopyrus
kandleri) 		PF03787
(RAMPs) 		5 THR A   7
ALA A 277
LEU A 275
LEU A 347
GLY A 235
 None
 1.03A 4xi3B-4n0lA:
undetectable		 4xi3B-4n0lA:
19.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		5 ALA A 287
LEU A 291
TRP A 320
LEU A 324
ARG A 331
 None
 0.57A 4xi3B-4n1yA:
27.3		 4xi3B-4n1yA:
38.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 ALA A 287
TRP A 320
LEU A 324
ARG A 331
ILE A 361
GLY A 447
 None
 0.71A 4xi3B-4n1yA:
27.3		 4xi3B-4n1yA:
38.40
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.
4o5f TYPE III
PANTOTHENATE KINASE

(Burkholderia
thailandensis) 		PF03309
(Pan_kinase) 		6 THR A  22
ALA A  20
ASP A  21
LEU A   7
ILE A 108
GLY A 109
 None
 1.24A 4xi3B-4o5fA:
undetectable		 4xi3B-4o5fA:
26.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r7y MINICHROMOSOME
MAINTENANCE PROTEIN
MCM, CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus;
Sulfolobus
solfataricus) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ALA A1802
ASP A1762
LEU A1761
LEU A1325
ILE A1963
 None
 0.97A 4xi3B-4r7yA:
undetectable		 4xi3B-4r7yA:
18.09
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.
4rgy ESTERASE

(uncultured
bacterium FLS12) 		PF00756
(Esterase) 		6 ALA A 131
LEU A 134
LEU A  48
LEU A 124
ILE A  64
LEU A  45
 None
 1.48A 4xi3B-4rgyA:
undetectable		 4xi3B-4rgyA:
19.93
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.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 773
TRP A 806
LEU A 810
LEU A 814
ARG A 817
 CV7  A1987 (-3.5A)
None
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
 0.58A 4xi3B-4udbA:
24.7		 4xi3B-4udbA:
28.03
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.
4wjb PUTATIVE
AMIDOHYDROLASE/PEPTI
DASE

(Burkholderia
cenocepacia) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		6 THR A 399
ALA A 402
ASP A 403
LEU A 406
LEU A 105
PRO A   9
 None
 1.46A 4xi3B-4wjbA:
undetectable		 4xi3B-4wjbA:
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.
4yo1 DEGQ

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		6 THR A 206
ALA A 221
LEU A 194
LEU A 201
ILE A  21
GLY A 143
 None
 1.46A 4xi3B-4yo1A:
undetectable		 4xi3B-4yo1A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aar POTASSIUM CHANNEL
AKT1

(Arabidopsis
thaliana) 		PF12796
(Ank_2) 		5 ALA A 651
LEU A 631
LEU A 630
ILE A 610
GLY A 639
 None
 0.91A 4xi3B-5aarA:
undetectable		 4xi3B-5aarA:
22.80
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.
5cwv NUCLEOPORIN NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 ASP A1537
LEU A1583
LEU A1582
ILE A1523
GLY A1592
 None
 0.97A 4xi3B-5cwvA:
undetectable		 4xi3B-5cwvA:
22.16
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.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ALA A 141
LEU A  97
ILE A 125
GLY A 122
LEU A 120
 None
None
None
GMT  A 401 ( 4.0A)
None
 1.02A 4xi3B-5d01A:
undetectable		 4xi3B-5d01A:
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.
5dz6 POLYKETIDE
BIOSYNTHESIS MALONYL
COA-ACYL CARRIER
PROTEIN TRANSACYLASE
PKSC

(Bacillus
subtilis) 		PF00698
(Acyl_transf_1) 		5 THR A  28
ALA A  31
ASP A  32
LEU A 106
LEU A  67
 None
 1.02A 4xi3B-5dz6A:
undetectable		 4xi3B-5dz6A:
24.23
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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 235
ASP A 236
LEU A 272
LEU A 267
LEU A 761
 None
 0.96A 4xi3B-5fjiA:
undetectable		 4xi3B-5fjiA:
13.78
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 235
ASP A 236
LEU A 272
LEU A 267
LEU A 759
 None
 1.02A 4xi3B-5fjjA:
undetectable		 4xi3B-5fjjA:
13.93
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.
5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF09334
(tRNA-synt_1g) 		5 ALA A 291
LEU A 289
ARG A 299
ILE A 528
GLY A 310
 None
 0.99A 4xi3B-5gl7A:
undetectable		 4xi3B-5gl7A:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT THETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 THR q 339
ALA q 338
LEU q 352
GLY q 302
PRO q 347
 None
 0.95A 4xi3B-5gw5q:
undetectable		 4xi3B-5gw5q:
18.88
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.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 ASP B1537
LEU B1583
LEU B1582
ILE B1523
GLY B1592
 None
 0.87A 4xi3B-5hb4B:
undetectable		 4xi3B-5hb4B:
10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 231
ASP A 232
LEU A 268
LEU A 263
LEU A 753
 None
 1.01A 4xi3B-5ju6A:
undetectable		 4xi3B-5ju6A:
13.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ASP A 303
TRP A 335
LEU A 339
ARG A 346
LEU A 476
 None
None
EST  A 601 (-3.9A)
EST  A 601 (-4.1A)
EST  A 601 (-3.5A)
 0.99A 4xi3B-5toaA:
30.4		 4xi3B-5toaA:
59.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 THR A 299
ALA A 302
TRP A 335
LEU A 339
LEU A 343
ARG A 346
GLY A 472
LEU A 476
 None
EST  A 601 ( 3.9A)
None
EST  A 601 (-3.9A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 (-4.0A)
EST  A 601 (-3.5A)
 0.78A 4xi3B-5toaA:
30.4		 4xi3B-5toaA:
59.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 THR A 299
ALA A 302
TRP A 335
LEU A 339
LEU A 343
ARG A 346
ILE A 376
GLY A 472
 None
EST  A 601 ( 3.9A)
None
EST  A 601 (-3.9A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.0A)
 0.61A 4xi3B-5toaA:
30.4		 4xi3B-5toaA:
59.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 THR A 299
LEU A 306
TRP A 335
LEU A 343
ARG A 346
ILE A 376
 None
None
None
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
 0.85A 4xi3B-5toaA:
30.4		 4xi3B-5toaA:
59.35
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.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 6 ALA A 272
ASP A 273
TRP A 305
LEU A 309
ARG A 316
LEU A 436
 9CR  A 503 (-3.5A)
None
None
9CR  A 503 (-3.7A)
9CR  A 503 (-3.0A)
9CR  A 503 ( 4.8A)
 1.21A 4xi3B-5uanA:
22.3		 4xi3B-5uanA:
24.24
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.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 6 ALA A 272
TRP A 305
LEU A 309
ARG A 316
ILE A 428
GLY A 429
 9CR  A 503 (-3.5A)
None
9CR  A 503 (-3.7A)
9CR  A 503 (-3.0A)
None
None
 1.10A 4xi3B-5uanA:
22.3		 4xi3B-5uanA:
24.24
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.
5wbf METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER (TLPC)

(Helicobacter
pylori) 		no annotation 6 ALA A 117
LEU A 102
LEU A  94
LEU A  95
GLY A  66
LEU A  70
 None
 1.11A 4xi3B-5wbfA:
undetectable		 4xi3B-5wbfA:
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.
5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE

(Vibrio sp. EJY3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A   3
ALA A  78
ASP A  77
LEU A 112
GLY A 117
 None
 0.79A 4xi3B-5xd7A:
undetectable		 4xi3B-5xd7A:
18.43
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.
5y1g NAD DEPENDENT
EPIMERASE/DEHYDRATAS
E FAMILY

(uncultured
archaeon
MedDCM-OCT-S05-C57) 		no annotation 6 ALA A 215
LEU A 219
LEU A 235
ARG A 281
GLY A 165
LEU A 166
 None
None
None
None
AKB  A 401 ( 3.7A)
NAD  A 402 (-3.8A)
 1.45A 4xi3B-5y1gA:
undetectable		 4xi3B-5y1gA:
18.54
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.
6azi D-ALANYL-D-ALANINE
ENDOPEPTIDASE

(Enterobacter
cloacae) 		PF00768
(Peptidase_S11) 		5 THR A 266
ALA A 269
ASP A 270
ARG A 223
PRO A 285
 None
 0.97A 4xi3B-6aziA:
undetectable		 4xi3B-6aziA:
20.33
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A1841
ASP A1840
ARG A1883
ILE A1870
GLY A1871
 None
 0.96A 4xi3B-6emkA:
undetectable		 4xi3B-6emkA:
14.58
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.
6ewx PEAK1-RELATED
KINASE-ACTIVATING
PSEUDOKINASE 1

(Rattus
norvegicus) 		no annotation 5 LEU A1226
LEU A1126
ILE A1020
GLY A1106
LEU A1107
 None
 1.01A 4xi3B-6ewxA:
undetectable		 4xi3B-6ewxA:
16.96