SIMILAR PATTERNS OF AMINO ACIDS FOR 4XI3_A_29SA601

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.
1c3g HEAT SHOCK PROTEIN
40

(Saccharomyces
cerevisiae) 		PF01556
(DnaJ_C) 		5 THR A 289
ASP A 291
GLU A 191
LEU A 328
PRO A 317
 None
 1.34A 4xi3A-1c3gA:
undetectable		 4xi3A-1c3gA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.00A 4xi3A-1g8kA:
undetectable		 4xi3A-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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		5 THR A 241
ALA A 238
ASP A 237
LEU A 234
ARG A 298
 None
 1.34A 4xi3A-1kzhA:
undetectable		 4xi3A-1kzhA:
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.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Enterococcus
faecalis) 		PF01636
(APH) 		5 ALA A 141
ASP A 144
GLU A 142
LEU A 140
ARG A  59
 None
 1.33A 4xi3A-1l8tA:
undetectable		 4xi3A-1l8tA:
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.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Enterococcus
faecalis) 		PF01636
(APH) 		5 ALA A 141
ASP A 144
GLU A 142
LEU A 143
ARG A  59
 None
 1.32A 4xi3A-1l8tA:
undetectable		 4xi3A-1l8tA:
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.
1nmy SIMILAR TO
THYMIDYLATE KINASE
(DTMP KINASE)

(Homo sapiens) 		PF02223
(Thymidylate_kin) 		5 THR A 201
ALA A 198
ASP A 197
LEU A 194
LEU A   8
 None
 1.23A 4xi3A-1nmyA:
undetectable		 4xi3A-1nmyA:
21.09
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
GLU A 353
TRP A 383
MET A 388
LEU A 391
ARG A 394
LEU A 525
 EST  A   1 ( 3.7A)
None
EST  A   1 (-2.8A)
None
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 (-3.6A)
 0.86A 4xi3A-1pcgA:
32.0		 4xi3A-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) 		5 ASP A 351
GLU A 353
LEU A 354
TRP A 383
ARG A 394
 None
EST  A   1 (-2.8A)
None
None
EST  A   1 (-3.7A)
 1.13A 4xi3A-1pcgA:
32.0		 4xi3A-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) 		9 THR A 347
ALA A 350
GLU A 353
TRP A 383
MET A 388
LEU A 391
ARG A 394
HIS A 524
LEU A 525
 None
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
None
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.66A 4xi3A-1pcgA:
32.0		 4xi3A-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) 		5 THR A 347
GLU A 353
LEU A 354
TRP A 383
ARG A 394
 None
EST  A   1 (-2.8A)
None
None
EST  A   1 (-3.7A)
 0.75A 4xi3A-1pcgA:
32.0		 4xi3A-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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA
CYTOCHROME C OXIDASE
POLYPEPTIDE II

(Paracoccus
denitrificans) 		PF00115
(COX1)
PF00116
(COX2)
PF02790
(COX2_TM) 		5 THR A 405
LEU A  57
ARG A  54
HIS B 224
PRO B  13
 None
None
HEA  A 601 (-3.1A)
CUA  B 301 (-3.1A)
None
 1.31A 4xi3A-1qleA:
2.1		 4xi3A-1qleA:
17.74
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.
1qun PAPD-LIKE CHAPERONE
FIMC

(Escherichia
coli) 		PF00345
(PapD_N)
PF02753
(PapD_C) 		5 THR A 189
LEU A 166
LEU A 162
LEU A 131
PRO A 168
 None
 1.32A 4xi3A-1qunA:
undetectable		 4xi3A-1qunA:
23.55
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.
1vf1 GLUTATHIONE
S-TRANSFERASE 3

(Gallus gallus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ALA A 156
ASP A 157
LEU A 160
MET A  94
ARG A  69
 None
 1.12A 4xi3A-1vf1A:
undetectable		 4xi3A-1vf1A:
23.35
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		5 ALA A 246
ASP A 247
LEU A 250
TRP A 279
ARG A 290
 9CR  A 201 (-3.6A)
None
None
None
9CR  A 201 (-2.8A)
 1.31A 4xi3A-1xiuA:
22.5		 4xi3A-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) 		5 ALA A 246
ASP A 247
TRP A 279
ARG A 290
LEU A 410
 9CR  A 201 (-3.6A)
None
None
9CR  A 201 (-2.8A)
9CR  A 201 ( 4.8A)
 1.12A 4xi3A-1xiuA:
22.5		 4xi3A-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.
1xvy SFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		5 THR A  58
ALA A   9
ASP A  37
LEU A  32
LEU A  44
 None
 1.25A 4xi3A-1xvyA:
undetectable		 4xi3A-1xvyA:
22.04
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.
1yzf LIPASE/ACYLHYDROLASE

(Enterococcus
faecalis) 		PF13472
(Lipase_GDSL_2) 		5 ASP A  83
LEU A  82
HIS A 169
LEU A 168
PRO A 124
 None
 1.33A 4xi3A-1yzfA:
undetectable		 4xi3A-1yzfA:
24.69
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.
2akz GAMMA ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A  32
ASP A 377
LEU A  23
HIS A 132
LEU A 129
 None
 1.16A 4xi3A-2akzA:
undetectable		 4xi3A-2akzA:
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.
2evv HYPOTHETICAL PROTEIN
HP0218

(Helicobacter
pylori) 		PF01161
(PBP) 		5 ALA A  18
ASP A  17
LEU A  16
MET A 128
PRO A  39
 None
 1.34A 4xi3A-2evvA:
undetectable		 4xi3A-2evvA:
20.97
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.
2g3w HYPOTHETICAL PROTEIN
XAC2396

(Xanthomonas
citri) 		PF07152
(YaeQ) 		5 ALA A 138
ASP A 135
LEU A 134
LEU A 145
PRO A 174
 None
 1.09A 4xi3A-2g3wA:
undetectable		 4xi3A-2g3wA:
21.29
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.
2g9f PEPTIDE N-GLYCANASE

(Mus musculus) 		PF04721
(PAW) 		5 ALA A 613
GLU A 612
LEU A 611
TRP A 550
MET A 521
 None
 1.24A 4xi3A-2g9fA:
undetectable		 4xi3A-2g9fA:
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.
2g9f PEPTIDE N-GLYCANASE

(Mus musculus) 		PF04721
(PAW) 		5 ALA A 613
LEU A 611
TRP A 550
MET A 521
LEU A 537
 None
 1.30A 4xi3A-2g9fA:
undetectable		 4xi3A-2g9fA:
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		5 THR A 367
ALA A 356
GLU A 357
LEU A 358
PRO A 469
 None
 1.13A 4xi3A-2gahA:
undetectable		 4xi3A-2gahA:
13.58
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) 		6 ALA A 272
ASP A 273
GLU A 275
TRP A 305
ARG A 316
HIS A 434
 OHT  A 500 (-3.5A)
OHT  A 500 (-3.1A)
OHT  A 500 (-2.6A)
None
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
 0.72A 4xi3A-2gpvA:
25.7		 4xi3A-2gpvA:
36.65
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) 		6 ASP A 273
GLU A 275
LEU A 276
TRP A 305
ARG A 316
HIS A 434
 OHT  A 500 (-3.1A)
OHT  A 500 (-2.6A)
OHT  A 500 (-4.9A)
None
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
 0.94A 4xi3A-2gpvA:
25.7		 4xi3A-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.
2hz7 GLUTAMINYL-TRNA
SYNTHETASE

(Deinococcus
radiodurans) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 THR A 495
ALA A 494
ASP A 479
LEU A 444
PRO A 464
 None
 1.25A 4xi3A-2hz7A:
undetectable		 4xi3A-2hz7A:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Thermotoga
maritima) 		PF01680
(SOR_SNZ) 		5 THR A 218
ALA A 220
ASP A 221
LEU A 224
LEU A 266
 None
 1.15A 4xi3A-2issA:
undetectable		 4xi3A-2issA:
19.88
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 ASP A 351
GLU A 353
LEU A 354
TRP A 383
ARG A 394
 None
EST  A 596 (-2.7A)
None
None
EST  A 596 (-4.0A)
 1.32A 4xi3A-2ocfA:
31.0		 4xi3A-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) 		6 ASP A 351
GLU A 353
TRP A 383
MET A 388
ARG A 394
LEU A 525
 None
EST  A 596 (-2.7A)
None
None
EST  A 596 (-4.0A)
EST  A 596 (-3.6A)
 1.04A 4xi3A-2ocfA:
31.0		 4xi3A-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
GLU A 353
TRP A 383
MET A 388
ARG A 394
HIS A 524
LEU A 525
 None
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
None
None
EST  A 596 (-4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.80A 4xi3A-2ocfA:
31.0		 4xi3A-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
GLU A 353
TRP A 383
MET A 388
LEU A 391
ARG A 394
HIS A 524
 None
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
None
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.2A)
 0.64A 4xi3A-2ocfA:
31.0		 4xi3A-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) 		6 THR A 347
GLU A 353
LEU A 354
TRP A 383
LEU A 391
ARG A 394
 None
EST  A 596 (-2.7A)
None
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
 0.81A 4xi3A-2ocfA:
31.0		 4xi3A-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.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		5 ALA A 164
GLU A 554
LEU A  49
ARG A  47
LEU A   7
 None
 1.20A 4xi3A-2qxlA:
undetectable		 4xi3A-2qxlA:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 ALA G 192
GLU G 193
LEU G 195
LEU G 173
PRO G 239
 None
 1.27A 4xi3A-2uv8G:
undetectable		 4xi3A-2uv8G:
7.75
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.
2vfk AKAP18 DELTA

(Homo sapiens) 		PF10469
(AKAP7_NLS) 		5 THR A 150
ALA A 152
GLU A 155
LEU A 156
LEU A 140
 None
 1.20A 4xi3A-2vfkA:
undetectable		 4xi3A-2vfkA:
24.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 THR A 415
ALA A 416
GLU A 419
ARG A 451
PRO A 176
 None
 1.32A 4xi3A-2vpwA:
undetectable		 4xi3A-2vpwA:
13.76
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.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 THR A  28
ALA A  45
ASP A  46
MET A  40
LEU A  39
 None
 1.15A 4xi3A-2vqdA:
undetectable		 4xi3A-2vqdA:
17.49
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.
2vxx STARVATION INDUCED
DNA BINDING PROTEIN

(Synechococcus
elongatus) 		PF00210
(Ferritin) 		5 THR A 147
ALA A 139
ASP A 144
GLU A 140
LEU A 142
 None
 1.35A 4xi3A-2vxxA:
undetectable		 4xi3A-2vxxA:
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.
2wfd LEUCYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Homo sapiens) 		PF00133
(tRNA-synt_1) 		5 ALA A 442
ASP A 395
LEU A 440
LEU A 449
PRO A 428
 None
 1.33A 4xi3A-2wfdA:
undetectable		 4xi3A-2wfdA:
20.71
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.
2ww2 ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 THR A 466
ALA A 467
GLU A 471
ARG A 357
PRO A 463
 None
 1.31A 4xi3A-2ww2A:
undetectable		 4xi3A-2ww2A:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.93A 4xi3A-2xfbB:
undetectable		 4xi3A-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
 0.78A 4xi3A-2xfcB:
undetectable		 4xi3A-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.
2xsx BETA-ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A  33
ASP A 378
LEU A  24
HIS A 133
LEU A 130
 None
EDO  A 511 (-4.3A)
None
None
None
 1.08A 4xi3A-2xsxA:
undetectable		 4xi3A-2xsxA:
23.09
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.
2xym RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 ALA A 395
LEU A 392
TRP A 420
MET A 426
PRO A 388
 None
 1.31A 4xi3A-2xymA:
undetectable		 4xi3A-2xymA:
18.12
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.
2z1b DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Mus musculus) 		PF00490
(ALAD) 		5 ASP A 259
LEU A 258
MET A 250
LEU A 249
PRO A 256
 None
 1.32A 4xi3A-2z1bA:
undetectable		 4xi3A-2z1bA:
22.69
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.
3a9v 4-COUMARATE--COA
LIGASE

(Populus
tomentosa) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ASP A 469
GLU A 474
LEU A 467
LEU A 436
ARG A 432
 None
None
None
None
AMP  A 551 (-4.5A)
 1.33A 4xi3A-3a9vA:
undetectable		 4xi3A-3a9vA:
18.56
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.
3b97 ALPHA-ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A  32
ASP A 377
LEU A  23
HIS A 132
LEU A 129
 None
 1.13A 4xi3A-3b97A:
undetectable		 4xi3A-3b97A:
19.72
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 ALA A 272
ASP A 273
LEU A 276
TRP A 305
ARG A 316
 9CR  A7223 (-4.2A)
None
None
None
9CR  A7223 (-3.7A)
 1.30A 4xi3A-3dzuA:
22.8		 4xi3A-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.
3f4n PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF03740
(PdxJ) 		5 ASP A  77
GLU A  78
LEU A  46
ARG A  50
LEU A 123
 None
 1.29A 4xi3A-3f4nA:
undetectable		 4xi3A-3f4nA:
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.
3gcg L0028 (MITOCHONDRIA
ASSOCIATED PROTEIN)

(Escherichia
coli) 		PF03278
(IpaB_EvcA) 		5 THR B 190
ALA B 193
GLU B 196
LEU B 195
LEU B  91
 None
 1.22A 4xi3A-3gcgB:
undetectable		 4xi3A-3gcgB:
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.
3gkq TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE

(Sphingomonas
sp. KA1) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		5 ALA A 362
ASP A 230
GLU A 365
LEU A 215
PRO A 209
 None
 1.20A 4xi3A-3gkqA:
undetectable		 4xi3A-3gkqA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gnr OS03G0212800 PROTEIN

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 THR A 341
ALA A 343
ASP A 344
HIS A 202
LEU A 201
 THR  A 341 ( 0.8A)
ALA  A 343 ( 0.0A)
ASP  A 344 ( 0.6A)
HIS  A 202 ( 1.0A)
LEU  A 201 ( 0.6A)
 1.21A 4xi3A-3gnrA:
undetectable		 4xi3A-3gnrA:
17.72
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.
3i0y PUTATIVE POLYKETIDE
CYCLASE

(Xanthomonas
campestris) 		PF12680
(SnoaL_2) 		5 THR A 122
ALA A  33
GLU A  34
LEU A  29
LEU A  12
 None
 1.06A 4xi3A-3i0yA:
undetectable		 4xi3A-3i0yA:
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.
3j4r A-KINASE ANCHOR
PROTEIN 18

(Homo sapiens) 		PF10469
(AKAP7_NLS)
PF10470
(AKAP7_RIRII_bdg) 		5 THR A 150
ALA A 152
GLU A 155
LEU A 156
LEU A 140
 None
 1.20A 4xi3A-3j4rA:
undetectable		 4xi3A-3j4rA:
19.23
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.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		5 THR A  48
ALA A  51
ASP A  52
GLU A  54
LEU A  55
 None
 0.53A 4xi3A-3l0zA:
undetectable		 4xi3A-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.
3l2z BIRA BIFUNCTIONAL
PROTEIN

(Mycobacterium
tuberculosis) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 ALA A 108
ASP A 111
LEU A 110
LEU A 153
LEU A 208
 None
 1.16A 4xi3A-3l2zA:
undetectable		 4xi3A-3l2zA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mpz CYTIDINE DEAMINASE

(Mycolicibacterium
smegmatis) 		PF00383
(dCMP_cyt_deam_1) 		5 ALA A  28
LEU A   6
MET A  84
LEU A  83
LEU A  93
 None
 1.31A 4xi3A-3mpzA:
undetectable		 4xi3A-3mpzA:
21.14
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.
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
 0.92A 4xi3A-3n40P:
undetectable		 4xi3A-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.
3o07 PYRIDOXINE
BIOSYNTHESIS PROTEIN
SNZ1

(Saccharomyces
cerevisiae) 		PF01680
(SOR_SNZ) 		5 THR A 217
ALA A 219
ASP A 220
LEU A 223
LEU A 265
 None
 1.20A 4xi3A-3o07A:
undetectable		 4xi3A-3o07A:
20.20
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.
3qrq PUTATIVE
UNCHARACTERIZED
PROTEIN TTHB192

(Thermus
thermophilus) 		PF08798
(CRISPR_assoc) 		5 THR A 152
ALA A 173
LEU A 175
LEU A 202
PRO A  50
 None
 1.33A 4xi3A-3qrqA:
undetectable		 4xi3A-3qrqA:
22.06
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 5 THR L 247
ALA L 251
LEU L 252
LEU L 344
HIS L 453
 None
 1.27A 4xi3A-3rkoL:
undetectable		 4xi3A-3rkoL:
18.30
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.
3tr9 DIHYDROPTEROATE
SYNTHASE

(Coxiella
burnetii) 		PF00809
(Pterin_bind) 		5 THR A 143
ALA A 140
ASP A 139
LEU A 137
LEU A 153
 None
 1.33A 4xi3A-3tr9A:
undetectable		 4xi3A-3tr9A:
21.05
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.
3uxm THYMIDYLATE KINASE

(Pseudomonas
aeruginosa) 		PF02223
(Thymidylate_kin) 		5 ALA A  63
ASP A  64
GLU A  66
LEU A  67
ARG A 154
 None
 1.27A 4xi3A-3uxmA:
undetectable		 4xi3A-3uxmA:
21.80
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.
3v11 TRANSLATION
INITIATION FACTOR 2
SUBUNIT ALPHA

(Sulfolobus
solfataricus) 		PF00575
(S1)
PF07541
(EIF_2_alpha) 		5 THR B  18
ALA B  17
ASP B  32
LEU B  82
ARG B  90
 None
 1.25A 4xi3A-3v11B:
undetectable		 4xi3A-3v11B:
20.51
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.
4ako SPORE COAT PROTEIN A

(Bacillus
subtilis) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 THR A 406
ALA A 479
TRP A 463
LEU A 425
PRO A 359
 EDO  A1522 ( 4.1A)
None
None
None
None
 1.14A 4xi3A-4akoA:
undetectable		 4xi3A-4akoA:
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.
4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A  89
GLU A  88
LEU A 160
ARG A  44
LEU A 225
 None
 1.13A 4xi3A-4bubA:
undetectable		 4xi3A-4bubA:
18.96
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.
4fc9 UNCHARACTERIZED
PROTEIN

(Xanthomonas
euvesicatoria) 		no annotation 5 THR B 606
ASP B 603
MET B 496
LEU B 497
LEU B 533
 None
 1.21A 4xi3A-4fc9B:
undetectable		 4xi3A-4fc9B:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gb7 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Bacillus
anthracis) 		PF00144
(Beta-lactamase) 		5 THR A 161
ALA A 162
ASP A 163
LEU A 169
PRO A 173
 None
 1.33A 4xi3A-4gb7A:
undetectable		 4xi3A-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.
4h8n CONJUGATED
POLYKETONE REDUCTASE
C2

(Candida
parapsilosis) 		PF00248
(Aldo_ket_red) 		5 THR A 242
ALA A 236
GLU A 237
LEU A 235
LEU A 220
 None
None
None
None
NDP  A3001 ( 4.2A)
 1.06A 4xi3A-4h8nA:
undetectable		 4xi3A-4h8nA:
20.35
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.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		5 ALA A 569
ASP A 570
GLU A 568
LEU A  71
PRO A 100
 None
 1.21A 4xi3A-4hhrA:
undetectable		 4xi3A-4hhrA:
17.18
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.
4k9q BENZOYLFORMATE
DECARBOXYLASE

(Polynucleobacter
necessarius) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A  96
GLU A  28
LEU A 158
LEU A 110
PRO A 129
 None
 1.23A 4xi3A-4k9qA:
undetectable		 4xi3A-4k9qA:
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.
4ll8 MYOSIN-4

(Saccharomyces
cerevisiae) 		PF01843
(DIL) 		5 ASP A1225
GLU A1227
LEU A1223
LEU A1443
LEU A1167
 None
 1.14A 4xi3A-4ll8A:
undetectable		 4xi3A-4ll8A:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mlg BETA-XYLOSIDASE

(uncultured
organism) 		PF04616
(Glyco_hydro_43) 		5 ALA A  17
ASP A  87
MET A  13
LEU A 303
PRO A 100
 None
 1.25A 4xi3A-4mlgA:
undetectable		 4xi3A-4mlgA:
19.57
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
GLU A 290
LEU A 291
TRP A 320
ARG A 331
 None
 0.73A 4xi3A-4n1yA:
26.4		 4xi3A-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.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		5 THR A  79
ALA A  83
GLU A 344
LEU A  85
LEU A  64
 None
 1.30A 4xi3A-4tqtA:
undetectable		 4xi3A-4tqtA:
17.04
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.
4uph SULFATASE (SULFURIC
ESTER HYDROLASE)
PROTEIN

(Agrobacterium
tumefaciens) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 THR A 192
ALA A 195
LEU A 197
HIS A 161
LEU A 156
 None
 1.35A 4xi3A-4uphA:
undetectable		 4xi3A-4uphA:
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.
4v39 SIALYLTRANSFERASE

(Pasteurella
dagmatis) 		PF11477
(PM0188) 		5 ASP A 121
GLU A 123
MET A 365
LEU A 368
ARG A 367
 None
 1.19A 4xi3A-4v39A:
undetectable		 4xi3A-4v39A:
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.
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
 1.42A 4xi3A-4wjbA:
undetectable		 4xi3A-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.
4wr2 PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Shewanella
loihica) 		PF01156
(IU_nuc_hydro) 		5 THR A  49
LEU A  45
LEU A  69
ARG A 104
LEU A 295
 None
 1.33A 4xi3A-4wr2A:
undetectable		 4xi3A-4wr2A:
20.88
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 ALA A 683
LEU A 685
LEU A 619
ARG A 641
LEU A 603
 None
None
None
MLI  A 918 (-4.2A)
None
 1.35A 4xi3A-4xmvA:
undetectable		 4xi3A-4xmvA:
15.55
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.
4xz8 NUCLEOPROTEIN

(Thiafora
orthonairovirus) 		PF02477
(Nairo_nucleo) 		5 THR A 283
ALA A 232
LEU A 234
MET A 225
LEU A 224
 None
 1.11A 4xi3A-4xz8A:
undetectable		 4xi3A-4xz8A:
21.06
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.
4z8x ATP-DEPENDENT ZINC
METALLOPROTEASE FTSH

(Aquifex
aeolicus) 		PF00004
(AAA)
PF01434
(Peptidase_M41) 		5 THR A 361
ALA A 363
ASP A 364
GLU A 366
LEU A 203
 None
ADP  A 702 ( 3.4A)
None
ADP  A 702 ( 2.7A)
ADP  A 702 ( 3.7A)
 1.32A 4xi3A-4z8xA:
3.4		 4xi3A-4z8xA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5agt LEUCINE--TRNA LIGASE

(Mycobacterium
tuberculosis) 		PF13603
(tRNA-synt_1_2) 		5 ALA A 320
LEU A 317
ARG A 508
LEU A 350
PRO A 424
 None
None
None
None
GOL  A1515 ( 4.9A)
 1.32A 4xi3A-5agtA:
undetectable		 4xi3A-5agtA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b2d HN PROTEIN

(Mumps
rubulavirus) 		PF00423
(HN) 		5 ALA A 247
TRP A 384
LEU A 380
LEU A 280
PRO A 250
 None
 1.24A 4xi3A-5b2dA:
undetectable		 4xi3A-5b2dA:
18.69
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.
5h1z PUTATIVE CYP ALKANE
HYDROXYLASE
CYP153D17

(Sphingomonas
sp. PAMC 26605) 		PF00067
(p450) 		5 THR A 250
ALA A 362
GLU A 363
LEU A 364
ARG A 355
 HEM  A 501 ( 4.8A)
HEM  A 501 (-3.4A)
None
None
None
 1.30A 4xi3A-5h1zA:
undetectable		 4xi3A-5h1zA:
21.24
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.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 THR A 211
ALA A 214
GLU A 217
ARG A  95
LEU A 195
 None
 0.80A 4xi3A-5iq0A:
undetectable		 4xi3A-5iq0A:
23.67
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.
5j7x DIMETHYLANILINE
MONOOXYGENASE,
PUTATIVE

(Aspergillus
flavus) 		PF00743
(FMO-like) 		5 THR A 249
ALA A 247
LEU A 243
LEU A 453
PRO A  67
 None
 1.34A 4xi3A-5j7xA:
undetectable		 4xi3A-5j7xA:
19.13
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF06444
(NADH_dehy_S2_C) 		5 THR N  99
LEU N 155
MET N 187
LEU N 142
PRO N 195
 None
 1.19A 4xi3A-5lc5N:
undetectable		 4xi3A-5lc5N:
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.
5mlq CDPS

(Nocardia
brasiliensis) 		no annotation 5 GLU A 175
TRP A 184
ARG A  70
HIS A  40
LEU A  32
 None
 1.09A 4xi3A-5mlqA:
undetectable		 4xi3A-5mlqA:
16.18
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 ASP A 128
LEU A 733
ARG A  96
HIS A1016
PRO A 117
 CA  A1106 (-2.2A)
None
None
CU  A1104 (-3.1A)
None
 1.05A 4xi3A-5n4lA:
undetectable		 4xi3A-5n4lA:
16.92
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.
5n6u BETA-MANNOSIDASE

(Dictyoglomus
thermophilum) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 ALA A  14
ASP A  17
TRP A  53
LEU A 126
LEU A  33
 None
 1.29A 4xi3A-5n6uA:
undetectable		 4xi3A-5n6uA:
13.67
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.
5nnn CTATC

(Chaetomium
thermophilum) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 THR A1962
ALA A1964
ASP A1965
LEU A1968
PRO A1947
 GOL  A2301 (-3.4A)
None
None
None
None
 1.20A 4xi3A-5nnnA:
undetectable		 4xi3A-5nnnA:
20.12
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
GLU A 305
TRP A 335
MET A 340
ARG A 346
 None
EST  A 601 (-2.4A)
None
EST  A 601 ( 4.8A)
EST  A 601 (-4.1A)
 0.97A 4xi3A-5toaA:
29.8		 4xi3A-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) 		9 THR A 299
ALA A 302
GLU A 305
TRP A 335
MET A 340
LEU A 343
ARG A 346
HIS A 475
LEU A 476
 None
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
None
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.78A 4xi3A-5toaA:
29.8		 4xi3A-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) 		5 THR A 299
GLU A 305
LEU A 306
ARG A 346
HIS A 475
 None
EST  A 601 (-2.4A)
None
EST  A 601 (-4.1A)
EST  A 601 (-4.4A)
 0.95A 4xi3A-5toaA:
29.8		 4xi3A-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.
5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycobacterium
tuberculosis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 THR A 135
ALA A 363
LEU A 369
LEU A 296
PRO A  72
 None
 1.20A 4xi3A-5tvjA:
undetectable		 4xi3A-5tvjA:
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.
5u8s CELL DIVISION
CONTROL PROTEIN 45

(Saccharomyces
cerevisiae) 		PF02724
(CDC45) 		5 THR E 509
ALA E 512
GLU E 515
LEU E 514
LEU E 530
 None
 1.31A 4xi3A-5u8sE:
undetectable		 4xi3A-5u8sE:
17.54
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.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 5 ALA A 272
ASP A 273
TRP A 305
ARG A 316
LEU A 436
 9CR  A 503 (-3.5A)
None
None
9CR  A 503 (-3.0A)
9CR  A 503 ( 4.8A)
 1.25A 4xi3A-5uanA:
22.3		 4xi3A-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.
5wro ENOLASE

(Drosophila
melanogaster) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 100
ASP A 446
LEU A  91
HIS A 200
LEU A 197
 None
 1.15A 4xi3A-5wroA:
undetectable		 4xi3A-5wroA:
19.36
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.
6aoo MALATE DEHYDROGENASE

(Haemophilus
influenzae) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A 297
ALA A 300
ASP A 301
GLU A 303
LEU A 304
 None
 0.63A 4xi3A-6aooA:
undetectable		 4xi3A-6aooA:
23.55