SIMILAR PATTERNS OF AMINO ACIDS FOR 2QXS_B_RALB600

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.
1a0f GLUTATHIONE
S-TRANSFERASE

(Escherichia
coli) 		PF00043
(GST_C)
PF13409
(GST_N_2) 		5 ALA A 194
GLU A 198
LEU A 195
LEU A  12
ILE A 153
 None
 1.16A 2qxsB-1a0fA:
undetectable		 2qxsB-1a0fA:
25.19
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.
1ao5 GLANDULAR
KALLIKREIN-13

(Mus musculus) 		PF00089
(Trypsin) 		5 THR A 161
ALA A 183
LEU A 181
LEU A 199
PRO A 130
 None
 1.14A 2qxsB-1ao5A:
undetectable		 2qxsB-1ao5A:
20.50
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.
1aye PROCARBOXYPEPTIDASE
A2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 THR A  75
ALA A  79
LEU A  80
LEU A 107
ILE A 179
 None
 1.08A 2qxsB-1ayeA:
undetectable		 2qxsB-1ayeA:
22.42
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.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		6 THR A 326
ALA A 330
LEU A 331
LEU A 361
LEU A 362
ARG A 219
 SO4  A 490 (-3.3A)
None
None
None
None
None
 1.37A 2qxsB-1c7jA:
undetectable		 2qxsB-1c7jA:
19.88
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.
1dtd CARBOXYPEPTIDASE A2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		5 THR A 430
ALA A 434
LEU A 435
LEU A 462
ILE A 535
 None
 1.10A 2qxsB-1dtdA:
undetectable		 2qxsB-1dtdA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.94A 2qxsB-1g8kA:
undetectable		 2qxsB-1g8kA:
15.49
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.
1lgf P450 MONOOXYGENASE

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 MET A  44
THR A  46
ALA A 315
ILE A  11
LEU A  22
 None
 1.10A 2qxsB-1lgfA:
undetectable		 2qxsB-1lgfA:
21.20
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.
1nkl NK-LYSIN

(Sus scrofa) 		PF05184
(SapB_1) 		5 MET A  49
GLU A  24
LEU A  61
ILE A  69
LEU A  14
 None
 1.15A 2qxsB-1nklA:
undetectable		 2qxsB-1nklA:
15.73
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 MET A 342
GLU A 353
LEU A 391
ARG A 394
ILE A 424
 None
EST  A   1 (-2.8A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
 1.16A 2qxsB-1pcgA:
32.3		 2qxsB-1pcgA:
98.36
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) 		10 MET A 343
THR A 347
ALA A 350
GLU A 353
TRP A 383
LEU A 387
LEU A 391
ARG A 394
ILE A 424
LEU A 525
 EST  A   1 ( 4.0A)
None
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
None
EST  A   1 (-4.0A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
EST  A   1 (-3.6A)
 0.78A 2qxsB-1pcgA:
32.3		 2qxsB-1pcgA:
98.36
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) 		7 THR A 347
ALA A 350
GLU A 353
LEU A 354
TRP A 383
LEU A 387
ARG A 394
 None
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
None
None
EST  A   1 (-4.0A)
EST  A   1 (-3.7A)
 0.57A 2qxsB-1pcgA:
32.3		 2qxsB-1pcgA:
98.36
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.
1qhm PYRUVATE
FORMATE-LYASE

(Escherichia
coli) 		PF02901
(PFL-like) 		6 ALA A1554
GLU A1452
LEU A1553
LEU A1443
LEU A1470
PRO A1464
 None
 1.39A 2qxsB-1qhmA:
undetectable		 2qxsB-1qhmA:
18.98
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.
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)
 0.78A 2qxsB-1r20A:
23.4		 2qxsB-1r20A:
28.57
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 416
LEU A 507
 MEI  A1001 (-3.3A)
None
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
None
MEI  A1001 (-4.6A)
 0.89A 2qxsB-1uhlA:
22.8		 2qxsB-1uhlA:
31.42
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) 		5 ALA A 343
TRP A 376
LEU A 380
ARG A 387
ILE A 499
 MEI  A1001 (-3.3A)
None
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
None
 0.97A 2qxsB-1uhlA:
22.8		 2qxsB-1uhlA:
31.42
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) 		5 LEU A 347
TRP A 376
LEU A 380
ARG A 387
ILE A 416
 None
None
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
None
 1.09A 2qxsB-1uhlA:
22.8		 2qxsB-1uhlA:
31.42
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) 		5 LEU A 347
TRP A 376
LEU A 380
ARG A 387
ILE A 499
 None
None
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
None
 1.13A 2qxsB-1uhlA:
22.8		 2qxsB-1uhlA:
31.42
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.
1umf CHORISMATE SYNTHASE

(Helicobacter
pylori) 		PF01264
(Chorismate_synt) 		5 ALA A 344
LEU A 348
LEU A 217
ILE A 211
PRO A  29
 None
 0.86A 2qxsB-1umfA:
undetectable		 2qxsB-1umfA:
20.92
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.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		6 THR A 319
LEU A 495
LEU A 357
ILE A 310
LEU A 349
PRO A 393
 None
 1.46A 2qxsB-1vrgA:
undetectable		 2qxsB-1vrgA:
21.75
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		6 ALA A 246
LEU A 250
TRP A 279
LEU A 283
ARG A 290
ILE A 402
 9CR  A 201 (-3.6A)
None
None
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
None
 1.07A 2qxsB-1xiuA:
22.8		 2qxsB-1xiuA:
29.04
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		5 ALA A 246
LEU A 250
TRP A 279
LEU A 283
ILE A 319
 9CR  A 201 (-3.6A)
None
None
9CR  A 201 ( 4.1A)
None
 1.06A 2qxsB-1xiuA:
22.8		 2qxsB-1xiuA:
29.04
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		5 ALA A 246
TRP A 279
LEU A 283
ARG A 290
LEU A 410
 9CR  A 201 (-3.6A)
None
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
9CR  A 201 ( 4.8A)
 0.94A 2qxsB-1xiuA:
22.8		 2qxsB-1xiuA:
29.04
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 276
TRP A 305
ARG A 316
ILE A 345
 9CR  A 801 (-3.5A)
None
None
9CR  A 801 (-2.6A)
9CR  A 801 ( 4.5A)
 1.03A 2qxsB-1xlsA:
22.5		 2qxsB-1xlsA:
31.42
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) 		6 ALA A 272
TRP A 305
LEU A 309
ARG A 316
ILE A 345
LEU A 436
 9CR  A 801 (-3.5A)
None
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
9CR  A 801 ( 4.5A)
9CR  A 801 (-4.7A)
 0.98A 2qxsB-1xlsA:
22.5		 2qxsB-1xlsA:
31.42
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.
1yz6 PROBABLE TRANSLATION
INITIATION FACTOR 2
ALPHA SUBUNIT

(Pyrococcus
abyssi) 		PF00575
(S1)
PF07541
(EIF_2_alpha) 		5 THR A  18
ALA A  17
LEU A  80
LEU A  82
ILE A  54
 None
 0.94A 2qxsB-1yz6A:
undetectable		 2qxsB-1yz6A:
19.51
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.
1zel HYPOTHETICAL PROTEIN
RV2827C

(Mycobacterium
tuberculosis) 		PF09407
(AbiEi_1)
PF13338
(AbiEi_4) 		5 THR A 189
ALA A 188
LEU A 234
LEU A 207
LEU A 220
 FMT  A 707 ( 4.6A)
None
None
None
None
 1.15A 2qxsB-1zelA:
undetectable		 2qxsB-1zelA:
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.
2c3d 2-OXOPROPYL-COM
REDUCTASE

(Xanthobacter
autotrophicus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 THR A 505
GLU A 499
LEU A 500
ARG A 512
LEU A 481
 None
 1.10A 2qxsB-2c3dA:
undetectable		 2qxsB-2c3dA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3i OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 THR A 372
ALA A 349
GLU A 354
LEU A 636
ILE A 604
 None
 1.13A 2qxsB-2d3iA:
undetectable		 2qxsB-2d3iA:
17.29
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
GLU A 275
LEU A 276
TRP A 305
LEU A 309
ARG A 316
 OHT  A 500 (-3.5A)
OHT  A 500 (-2.6A)
OHT  A 500 (-4.9A)
None
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
 0.69A 2qxsB-2gpvA:
25.8		 2qxsB-2gpvA:
36.15
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.
2icy PROBABLE
UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2

(Arabidopsis
thaliana) 		PF01704
(UDPGP) 		5 MET A 315
THR A 334
LEU A 297
ILE A 304
PRO A 189
 None
None
None
None
UPG  A 901 (-4.1A)
 1.12A 2qxsB-2icyA:
undetectable		 2qxsB-2icyA:
20.13
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) 		9 MET A 343
THR A 347
ALA A 350
GLU A 353
TRP A 383
LEU A 387
ARG A 394
ILE A 424
LEU A 525
 EST  A 596 (-4.8A)
None
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
None
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
EST  A 596 (-3.6A)
 0.82A 2qxsB-2ocfA:
31.5		 2qxsB-2ocfA:
99.22
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) 		9 MET A 343
THR A 347
ALA A 350
GLU A 353
TRP A 383
LEU A 387
LEU A 391
ARG A 394
ILE A 424
 EST  A 596 (-4.8A)
None
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
None
EST  A 596 ( 4.2A)
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
 0.56A 2qxsB-2ocfA:
31.5		 2qxsB-2ocfA:
99.22
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)
 0.75A 2qxsB-2ocfA:
31.5		 2qxsB-2ocfA:
99.22
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.
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
 1.16A 2qxsB-2qxlA:
undetectable		 2qxsB-2qxlA:
16.95
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.
2vqr PUTATIVE SULFATASE

(Rhizobium
leguminosarum) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 THR A 193
ALA A 196
LEU A 200
LEU A 210
LEU A 102
 None
 0.95A 2qxsB-2vqrA:
undetectable		 2qxsB-2vqrA:
17.46
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.
2vqr PUTATIVE SULFATASE

(Rhizobium
leguminosarum) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 THR A 193
ALA A 196
LEU A 200
LEU A 210
LEU A 301
 None
 1.13A 2qxsB-2vqrA:
undetectable		 2qxsB-2vqrA:
17.46
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.
2w1z ROP2

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		5 ALA A 534
LEU A 532
LEU A 543
ILE A 483
LEU A 476
 None
 1.13A 2qxsB-2w1zA:
undetectable		 2qxsB-2w1zA:
23.39
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.
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
 0.90A 2qxsB-2w8sA:
undetectable		 2qxsB-2w8sA:
18.33
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.
2woc ADP-RIBOSYL-[DINITRO
GEN REDUCTASE]
GLYCOHYDROLASE

(Rhodospirillum
rubrum) 		PF03747
(ADP_ribosyl_GH) 		5 MET A 173
THR A 169
ALA A 166
LEU A 162
LEU A 221
 None
 1.14A 2qxsB-2wocA:
undetectable		 2qxsB-2wocA:
20.18
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.
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
 0.91A 2qxsB-2xfbB:
undetectable		 2qxsB-2xfbB:
19.71
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.
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
 0.73A 2qxsB-2xfcB:
undetectable		 2qxsB-2xfcB:
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.
2xhs NUCLEAR HORMONE
RECEPTOR FTZ-F1

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		5 THR A 851
ALA A 848
LEU A 866
ILE A 949
LEU A 942
 None
 1.09A 2qxsB-2xhsA:
17.7		 2qxsB-2xhsA:
25.56
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.
2xym RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		6 MET A 447
LEU A 392
TRP A 420
LEU A 425
ILE A 463
PRO A 388
 None
 1.23A 2qxsB-2xymA:
undetectable		 2qxsB-2xymA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbl PUTATIVE ISOMERASE

(Salmonella
enterica) 		PF07221
(GlcNAc_2-epim) 		5 THR A 324
ALA A 327
LEU A 331
LEU A 395
LEU A 393
 None
 0.95A 2qxsB-2zblA:
undetectable		 2qxsB-2zblA:
18.20
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.
3byv RHOPTRY KINASE

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		5 ALA A 548
LEU A 546
LEU A 404
ARG A 558
ILE A 497
 None
 1.09A 2qxsB-3byvA:
undetectable		 2qxsB-3byvA:
21.93
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.
3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I

(Bacillus
anthracis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 ALA A 347
GLU A 346
LEU A 350
LEU A 342
ARG A 339
ILE A 415
 None
 1.36A 2qxsB-3cgdA:
undetectable		 2qxsB-3cgdA:
20.77
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.
3dmy PROTEIN FDRA

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 THR A 319
GLU A 484
LEU A 487
LEU A 314
ILE A 213
 None
 1.03A 2qxsB-3dmyA:
undetectable		 2qxsB-3dmyA:
21.97
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.
3dto BH2835 PROTEIN

(Bacillus
halodurans) 		PF01966
(HD) 		5 ALA A  10
LEU A   7
LEU A  56
ILE A  61
LEU A  76
 None
 1.10A 2qxsB-3dtoA:
undetectable		 2qxsB-3dtoA:
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 ALA A 272
LEU A 276
TRP A 305
LEU A 309
ARG A 316
ILE A 428
 9CR  A7223 (-4.2A)
None
None
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
None
 1.01A 2qxsB-3dzuA:
22.8		 2qxsB-3dzuA:
20.65
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 ALA A 272
TRP A 305
LEU A 309
ARG A 316
LEU A 436
 9CR  A7223 (-4.2A)
None
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
9CR  A7223 ( 4.7A)
 0.83A 2qxsB-3dzuA:
22.8		 2qxsB-3dzuA:
20.65
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.
3emk GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		5 ALA A  74
GLU A  75
LEU A 122
ARG A 129
ILE A 135
 None
 1.10A 2qxsB-3emkA:
undetectable		 2qxsB-3emkA:
21.35
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.
3fms TRANSCRIPTIONAL
REGULATOR, GNTR
FAMILY

(Thermotoga
maritima) 		PF00392
(GntR)
PF07729
(FCD) 		5 THR A  72
GLU A  30
LEU A  32
LEU A  26
LEU A 159
 None
 1.13A 2qxsB-3fmsA:
undetectable		 2qxsB-3fmsA:
23.26
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.
3g79 NDP-N-ACETYL-D-GALAC
TOSAMINURONIC ACID
DEHYDROGENASE

(Methanosarcina
mazei) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 MET A 336
THR A 340
ALA A 343
GLU A 345
LEU A 347
 None
 1.15A 2qxsB-3g79A:
undetectable		 2qxsB-3g79A:
21.13
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.
3h4q PUTATIVE
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF00583
(Acetyltransf_1) 		5 ALA A  20
GLU A  19
LEU A  23
ILE A  64
PRO A 131
 None
 1.13A 2qxsB-3h4qA:
undetectable		 2qxsB-3h4qA:
19.84
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.
3hpd HYDROXYETHYLTHIAZOLE
KINASE

(Pyrococcus
horikoshii) 		PF02110
(HK) 		5 THR A 201
ALA A 213
LEU A 211
ARG A  10
ILE A 249
 None
 1.14A 2qxsB-3hpdA:
undetectable		 2qxsB-3hpdA:
16.97
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.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		5 THR A  48
ALA A  51
GLU A  54
LEU A  55
PRO A  68
 None
 0.77A 2qxsB-3l0zA:
undetectable		 2qxsB-3l0zA:
23.16
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 MET A 533
THR A 537
ALA A 540
ILE A 397
LEU A 393
 None
 1.07A 2qxsB-3lppA:
undetectable		 2qxsB-3lppA:
14.33
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.
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
 0.89A 2qxsB-3n40P:
undetectable		 2qxsB-3n40P:
18.47
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.
3qfk UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 MET A 499
ALA A 334
LEU A 335
LEU A 488
ILE A 305
 None
 1.12A 2qxsB-3qfkA:
undetectable		 2qxsB-3qfkA:
18.65
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.
3qp6 CVIR TRANSCRIPTIONAL
REGULATOR

(Chromobacterium
violaceum) 		PF00196
(GerE)
PF03472
(Autoind_bind) 		5 THR A 175
ALA A 143
LEU A 104
ILE A 185
LEU A  58
 None
 1.13A 2qxsB-3qp6A:
undetectable		 2qxsB-3qp6A:
22.34
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.
3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Lactobacillus
acidophilus) 		PF00171
(Aldedh) 		5 LEU A 443
LEU A 438
ILE A 139
LEU A  52
PRO A  45
 None
 1.13A 2qxsB-3rosA:
undetectable		 2qxsB-3rosA:
19.42
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.
3tcr MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN

(Mycobacteroides
abscessus) 		PF00994
(MoCF_biosynth) 		5 MET A 159
THR A 163
ALA A 166
LEU A 144
LEU A  50
 None
 1.12A 2qxsB-3tcrA:
undetectable		 2qxsB-3tcrA:
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.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		5 LEU A 516
LEU A 517
ILE A 472
LEU A 394
PRO A 389
 None
 0.97A 2qxsB-3v94A:
undetectable		 2qxsB-3v94A:
22.35
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.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		5 THR A 236
GLU A 265
LEU A 264
ARG A 294
ILE A  37
 None
 1.15A 2qxsB-3wibA:
undetectable		 2qxsB-3wibA:
20.31
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.
4g3m RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Bacillus
subtilis) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 THR A  70
ALA A 130
GLU A 131
ARG A 142
ILE A 111
 None
 1.08A 2qxsB-4g3mA:
undetectable		 2qxsB-4g3mA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.16A 2qxsB-4h8nA:
undetectable		 2qxsB-4h8nA:
22.49
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.
4hh5 PUTATIVE TYPE VI
SECRETION PROTEIN

(Escherichia
coli) 		PF02861
(Clp_N) 		5 LEU A 138
LEU A 119
ILE A 113
LEU A  97
PRO A 126
 None
 1.10A 2qxsB-4hh5A:
undetectable		 2qxsB-4hh5A:
24.80
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.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 5 ALA D 272
LEU D 276
TRP D 305
ARG D 316
ILE D 345
 None
 0.90A 2qxsB-4j5xD:
23.1		 2qxsB-4j5xD:
29.72
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.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 5 ALA D 272
LEU D 276
TRP D 305
ARG D 316
ILE D 428
 None
 1.10A 2qxsB-4j5xD:
23.1		 2qxsB-4j5xD:
29.72
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.
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 345
LEU D 436
 None
 0.93A 2qxsB-4j5xD:
23.1		 2qxsB-4j5xD:
29.72
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.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 5 ALA D 272
TRP D 305
LEU D 309
ARG D 316
ILE D 428
 None
 0.92A 2qxsB-4j5xD:
23.1		 2qxsB-4j5xD:
29.72
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		6 THR A  41
ALA A  40
TRP A 255
LEU A 210
LEU A 213
ILE A  27
 None
 1.26A 2qxsB-4mwzA:
undetectable		 2qxsB-4mwzA:
17.79
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		5 LEU A 177
LEU A 245
LEU A 203
LEU A 236
PRO A 268
 None
 1.16A 2qxsB-4n03A:
undetectable		 2qxsB-4n03A:
19.56
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
GLU A 290
LEU A 291
TRP A 320
LEU A 324
ARG A 331
 None
 0.51A 2qxsB-4n1yA:
26.9		 2qxsB-4n1yA:
38.11
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
GLU A 290
TRP A 320
LEU A 324
ARG A 331
ILE A 361
 None
 0.71A 2qxsB-4n1yA:
26.9		 2qxsB-4n1yA:
38.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q8h PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Saccharomyces
cerevisiae) 		PF00929
(RNase_T)
PF13423
(UCH_1) 		6 THR A 846
ALA A 794
LEU A 805
ILE A 695
LEU A 739
PRO A 619
 None
 1.42A 2qxsB-4q8hA:
undetectable		 2qxsB-4q8hA:
16.74
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 THR B 413
ALA B 410
LEU B 358
LEU B 355
ILE B 171
 None
 1.11A 2qxsB-4qiwB:
undetectable		 2qxsB-4qiwB:
12.30
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.
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
 1.40A 2qxsB-4rgyA:
undetectable		 2qxsB-4rgyA:
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.
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)
 0.49A 2qxsB-4udbA:
24.2		 2qxsB-4udbA:
26.33
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 5 ALA A 303
LEU A 300
LEU A 329
LEU A 328
PRO A 295
 None
 0.91A 2qxsB-4xj6A:
undetectable		 2qxsB-4xj6A:
20.95
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.
5a29 EXOPOLYGALACTURONATE
LYASE

(Vibrio
vulnificus) 		PF06917
(Pectate_lyase_2) 		5 ALA A 485
LEU A 482
LEU A 524
LEU A 521
ILE A 516
 None
 1.00A 2qxsB-5a29A:
undetectable		 2qxsB-5a29A:
18.66
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT ETA
T-COMPLEX PROTEIN 1
SUBUNIT THETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 ALA q  34
GLU q  37
LEU q  38
LEU h  13
ILE h  10
 None
 1.01A 2qxsB-5gw5q:
undetectable		 2qxsB-5gw5q:
19.43
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.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 THR A 211
ALA A 214
GLU A 217
ARG A  95
LEU A 195
 None
 0.87A 2qxsB-5iq0A:
undetectable		 2qxsB-5iq0A:
22.40
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.
5j1d PHOSPHATE BINDING
PROTEIN

(Stenotrophomonas
maltophilia) 		PF12849
(PBP_like_2) 		5 THR A  97
ALA A  96
LEU A 339
LEU A 255
PRO A  93
 None
 1.10A 2qxsB-5j1dA:
undetectable		 2qxsB-5j1dA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA

(Methanothermococcus
thermolithotrophicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ALA B 308
LEU B 310
LEU B 239
ILE B  27
PRO B 392
 None
 1.05A 2qxsB-5n1qB:
undetectable		 2qxsB-5n1qB:
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.
5n28 METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(Methanotorris
formicicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ALA B 309
LEU B 311
LEU B 239
ILE B  27
PRO B 393
 None
 1.07A 2qxsB-5n28B:
undetectable		 2qxsB-5n28B:
19.55
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 5 THR A 468
ALA A 465
LEU A 461
LEU A 494
PRO A 508
 None
 1.04A 2qxsB-5nitA:
undetectable		 2qxsB-5nitA:
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.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii) 		no annotation 5 MET A  96
ALA A 199
ARG A 206
ILE A 500
LEU A 361
 None
None
None
ANN  A 601 (-4.4A)
GOL  A 606 ( 4.9A)
 1.11A 2qxsB-5oc1A:
undetectable		 2qxsB-5oc1A:
19.22
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.
5t6o POLY-BETA-HYDROXYBUT
ERATE POLYMERASE

(Cupriavidus
necator) 		PF07167
(PhaC_N) 		5 THR A 327
ALA A 330
ILE A 474
LEU A 350
PRO A 453
 None
 1.03A 2qxsB-5t6oA:
undetectable		 2qxsB-5t6oA:
21.27
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 MET A 294
GLU A 305
LEU A 306
LEU A 343
ARG A 346
 None
EST  A 601 (-2.4A)
None
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
 1.12A 2qxsB-5toaA:
30.4		 2qxsB-5toaA:
57.14
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 MET A 294
GLU A 305
LEU A 343
ARG A 346
ILE A 376
 None
EST  A 601 (-2.4A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
 1.14A 2qxsB-5toaA:
30.4		 2qxsB-5toaA:
57.14
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 MET A 295
THR A 299
ALA A 302
GLU A 305
TRP A 335
LEU A 339
ARG A 346
LEU A 476
 EST  A 601 ( 4.4A)
None
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
None
EST  A 601 (-3.9A)
EST  A 601 (-4.1A)
EST  A 601 (-3.5A)
 0.77A 2qxsB-5toaA:
30.4		 2qxsB-5toaA:
57.14
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 MET A 295
THR A 299
ALA A 302
GLU A 305
TRP A 335
LEU A 339
LEU A 343
ARG A 346
ILE A 376
 EST  A 601 ( 4.4A)
None
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
None
EST  A 601 (-3.9A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
 0.62A 2qxsB-5toaA:
30.4		 2qxsB-5toaA:
57.14
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) 		7 MET A 295
THR A 299
GLU A 305
LEU A 306
TRP A 335
LEU A 343
ARG A 346
 EST  A 601 ( 4.4A)
None
EST  A 601 (-2.4A)
None
None
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
 0.83A 2qxsB-5toaA:
30.4		 2qxsB-5toaA:
57.14
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.
5u0p MEDIATOR COMPLEX
SUBUNIT 14

(Schizosaccharomyces
pombe) 		PF08638
(Med14) 		5 ALA N 453
LEU N 450
LEU N 435
ILE N 406
PRO N 447
 None
 1.16A 2qxsB-5u0pN:
undetectable		 2qxsB-5u0pN:
14.78
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.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 6 ALA A 272
LEU A 276
TRP A 305
LEU A 309
ARG A 316
ILE A 428
 9CR  A 503 (-3.5A)
None
None
9CR  A 503 (-3.7A)
9CR  A 503 (-3.0A)
None
 1.21A 2qxsB-5uanA:
22.3		 2qxsB-5uanA:
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.
5wbf METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER (TLPC)

(Helicobacter
pylori) 		no annotation 5 ALA A 117
LEU A 102
LEU A  94
LEU A  95
LEU A  70
 None
 1.03A 2qxsB-5wbfA:
undetectable		 2qxsB-5wbfA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5weg UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Saccharum
hybrid cultivar) 		no annotation 5 MET A 322
THR A 341
LEU A 304
ILE A 311
PRO A 196
 None
 1.12A 2qxsB-5wegA:
undetectable		 2qxsB-5wegA:
15.00
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.
5xge UNCHARACTERIZED
PROTEIN PA0861

(Pseudomonas
aeruginosa) 		no annotation 5 THR A 682
ALA A 684
LEU A 688
LEU A 723
ILE A 751
 None
 1.14A 2qxsB-5xgeA:
undetectable		 2qxsB-5xgeA:
15.66
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.
5xxg -

(-) 		no annotation 5 ALA A 174
LEU A 171
LEU A 105
LEU A 104
LEU A 112
 None
 1.06A 2qxsB-5xxgA:
undetectable		 2qxsB-5xxgA:
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.
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
[NIFE] HYDROGENASE
SMALL SUBUNIT

(Desulfovibrio
desulfuricans) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 LEU B 121
ASP B 125
LEU B 206
HIS A  45
 None
 1.22A 2qxsB-1e3dB:
1.7		 2qxsB-1e3dB:
16.88
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		4 ASP A 393
MET A 405
LEU A 420
HIS A 513
 None
 1.30A 2qxsB-1gqrA:
0.0		 2qxsB-1gqrA:
19.74
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.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 ASP A 409
MET A 264
LEU A 225
HIS A  90
 None
None
None
ZN  A1102 ( 3.3A)
 1.03A 2qxsB-1hwwA:
undetectable		 2qxsB-1hwwA:
14.77
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.
1i1q ANTHRANILATE
SYNTHASE COMPONENT
II

(Salmonella
enterica) 		PF00117
(GATase) 		4 LEU B 143
ASP B 159
LEU B  70
HIS B  86
 None
 1.25A 2qxsB-1i1qB:
0.0		 2qxsB-1i1qB:
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.
1i7q TRPG

(Serratia
marcescens) 		PF00117
(GATase) 		4 LEU B 146
ASP B 162
LEU B  72
HIS B  88
 None
 1.14A 2qxsB-1i7qB:
0.0		 2qxsB-1i7qB:
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.
1lkd BIPHENYL-2,3-DIOL
1,2-DIOXYGENASE

(Paraburkholderia
xenovorans) 		PF00903
(Glyoxalase) 		4 LEU A 197
MET A   9
LEU A  60
HIS A 210
 None
None
None
FE2  A 500 ( 3.5A)
 1.05A 2qxsB-1lkdA:
undetectable		 2qxsB-1lkdA:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lpf DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 414
ASP A 411
LEU A 351
HIS A 417
 None
 1.17A 2qxsB-1lpfA:
undetectable		 2qxsB-1lpfA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrv LEUCINE-RICH REPEAT
VARIANT

(Azotobacter
vinelandii) 		PF01816
(LRV)
PF05484
(LRV_FeS) 		4 LEU A 212
ASP A 207
LEU A 223
HIS A 217
 None
 1.17A 2qxsB-1lrvA:
0.0		 2qxsB-1lrvA:
23.10
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) 		4 ASP A 351
MET A 388
LEU A 428
HIS A 524
 None
None
None
EST  A   1 (-3.8A)
 0.80A 2qxsB-1pcgA:
32.3		 2qxsB-1pcgA:
98.36
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) 		4 LEU A 346
MET A 388
LEU A 428
HIS A 524
 EST  A   1 (-4.4A)
None
None
EST  A   1 (-3.8A)
 0.44A 2qxsB-1pcgA:
32.3		 2qxsB-1pcgA:
98.36
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.
1qjm LACTOFERRIN

(Equus caballus) 		PF00405
(Transferrin) 		4 LEU A 451
ASP A 443
LEU A 589
HIS A 458
 None
 1.31A 2qxsB-1qjmA:
undetectable		 2qxsB-1qjmA:
16.72
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.
1r8i TRAC

(Escherichia
coli) 		PF07996
(T4SS) 		4 LEU A  41
ASP A 172
MET A 160
LEU A  48
 None
 1.22A 2qxsB-1r8iA:
undetectable		 2qxsB-1r8iA:
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.
1srd COPPER,ZINC
SUPEROXIDE DISMUTASE

(Spinacia
oleracea) 		PF00080
(Sod_Cu) 		4 LEU A  47
ASP A 101
LEU A   9
HIS A 120
 None
None
None
CU  A 155 (-3.0A)
 1.06A 2qxsB-1srdA:
undetectable		 2qxsB-1srdA:
19.54
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.
1sxj ACTIVATOR 1 37 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		4 LEU B 113
ASP B 117
MET B  45
HIS B  60
 None
 0.82A 2qxsB-1sxjB:
undetectable		 2qxsB-1sxjB:
23.30
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.
1usp ORGANIC
HYDROPEROXIDE
RESISTANCE PROTEIN

(Deinococcus
radiodurans) 		PF02566
(OsmC) 		4 LEU B 105
MET B 114
LEU B  62
HIS B 101
 None
None
None
GOL  B1140 (-4.2A)
 1.07A 2qxsB-1uspB:
undetectable		 2qxsB-1uspB:
18.46
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.
1v66 PROTEIN INHIBITOR OF
ACTIVATED STAT
PROTEIN 1

(Homo sapiens) 		no annotation 4 LEU A  45
ASP A   3
MET A  12
LEU A  38
 None
 1.31A 2qxsB-1v66A:
undetectable		 2qxsB-1v66A:
14.57
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.
1vqy HYPOTHETICAL PROTEIN
AGR_PAT_315

(Agrobacterium
fabrum) 		PF07978
(NIPSNAP) 		4 LEU A  83
MET A  15
LEU A  19
HIS A  53
 None
 1.16A 2qxsB-1vqyA:
undetectable		 2qxsB-1vqyA:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xqp 8-OXOGUANINE DNA
GLYCOSYLASE

(Pyrobaculum
aerophilum) 		PF09171
(AGOG) 		4 LEU A 126
ASP A 121
MET A  52
LEU A  56
 None
 1.24A 2qxsB-1xqpA:
undetectable		 2qxsB-1xqpA:
20.07
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.
1zvu TOPOISOMERASE IV
SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV)
PF03989
(DNA_gyraseA_C) 		4 LEU A 285
ASP A 283
MET A 312
LEU A 321
 None
 1.28A 2qxsB-1zvuA:
undetectable		 2qxsB-1zvuA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a8i THREONINE ASPARTASE
1

(Homo sapiens) 		PF01112
(Asparaginase_2) 		4 LEU A 310
ASP A 314
MET A 323
LEU A 302
 None
 1.26A 2qxsB-2a8iA:
undetectable		 2qxsB-2a8iA:
19.30
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.
2b4a BH3024

(Bacillus
halodurans) 		PF00072
(Response_reg) 		4 LEU A 100
ASP A  56
LEU A  23
HIS A 116
 None
 1.03A 2qxsB-2b4aA:
undetectable		 2qxsB-2b4aA:
18.05
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.
2crf RAN BINDING PROTEIN
3

(Homo sapiens) 		PF00638
(Ran_BP1) 		4 LEU A  67
ASP A  64
LEU A  56
HIS A 134
 None
 1.00A 2qxsB-2crfA:
undetectable		 2qxsB-2crfA:
20.77
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.
2cyb TYROSYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF00579
(tRNA-synt_1b) 		4 LEU A  70
ASP A 165
LEU A 102
HIS A  49
 None
 1.22A 2qxsB-2cybA:
undetectable		 2qxsB-2cybA:
21.75
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.
2eq9 PYRUVATE
DEHYDROGENASE
COMPLEX,
DIHYDROLIPOAMIDE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 439
ASP A 407
MET A 432
LEU A 428
 None
 1.26A 2qxsB-2eq9A:
undetectable		 2qxsB-2eq9A:
21.70
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.
2f8l HYPOTHETICAL PROTEIN
LMO1582

(Listeria
monocytogenes) 		PF02384
(N6_Mtase) 		4 LEU A 123
ASP A 191
MET A 174
LEU A 176
 None
 1.22A 2qxsB-2f8lA:
undetectable		 2qxsB-2f8lA:
22.55
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.
2iuy GLYCOSYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00534
(Glycos_transf_1) 		4 LEU A  63
ASP A 100
MET A  50
LEU A  75
 None
 1.19A 2qxsB-2iuyA:
undetectable		 2qxsB-2iuyA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jh9 VP4 CORE PROTEIN

(Bluetongue
virus) 		PF05059
(Orbi_VP4) 		4 LEU A 517
MET A 457
LEU A 568
HIS A 554
 None
 1.28A 2qxsB-2jh9A:
undetectable		 2qxsB-2jh9A:
18.51
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.
2kb2 BLRP1

(Klebsiella
pneumoniae) 		PF04940
(BLUF) 		4 LEU A  43
ASP A  99
LEU A  80
HIS A  74
 FMN  A 149 ( 4.3A)
None
None
FMN  A 149 ( 3.6A)
 1.13A 2qxsB-2kb2A:
undetectable		 2qxsB-2kb2A:
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.
2nrr UVRABC SYSTEM
PROTEIN C

(Thermotoga
maritima) 		PF08459
(UvrC_HhH_N) 		4 LEU A 479
ASP A 485
LEU A 354
HIS A 474
 None
 0.94A 2qxsB-2nrrA:
undetectable		 2qxsB-2nrrA:
19.58
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.
2o4c ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		4 LEU A 203
ASP A 169
LEU A 188
HIS A 174
 None
 1.06A 2qxsB-2o4cA:
undetectable		 2qxsB-2o4cA:
21.64
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) 		4 LEU A 346
MET A 388
LEU A 428
HIS A 524
 EST  A 596 (-4.4A)
None
None
EST  A 596 (-4.2A)
 0.41A 2qxsB-2ocfA:
31.5		 2qxsB-2ocfA:
99.22
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.
2oze ORF DELTA'

(Streptococcus
pyogenes) 		PF13614
(AAA_31) 		4 LEU A  40
ASP A 178
MET A  70
LEU A  79
 None
 1.23A 2qxsB-2ozeA:
undetectable		 2qxsB-2ozeA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbx HEMAGGLUTININ/PROTEA
SE REGULATORY
PROTEIN

(Vibrio cholerae) 		PF00440
(TetR_N) 		4 LEU A  80
MET A 101
LEU A 112
HIS A 168
 None
 1.25A 2qxsB-2pbxA:
undetectable		 2qxsB-2pbxA:
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.
2pwh SUCROSE ISOMERASE

([Pseudomonas]
mesoacidophila) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 LEU A 178
ASP A 174
MET A 239
LEU A 186
 None
 1.20A 2qxsB-2pwhA:
undetectable		 2qxsB-2pwhA:
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.
2q0o PROBABLE
TRANSCRIPTIONAL
ACTIVATOR PROTEIN
TRAR
PROBABLE
TRANSCRIPTIONAL
REPRESSOR TRAM

(Sinorhizobium
fredii) 		PF00196
(GerE)
PF03472
(Autoind_bind)
PF09228
(Prok-TraM) 		4 LEU A 161
ASP C  72
MET A 128
LEU A 154
 None
 1.07A 2qxsB-2q0oA:
undetectable		 2qxsB-2q0oA:
22.38
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.
2qed HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		4 LEU A  51
ASP A  82
LEU A 104
HIS A 114
 None
 1.26A 2qxsB-2qedA:
undetectable		 2qxsB-2qedA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rfa TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6

(Mus musculus) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		4 LEU A 233
ASP A 226
LEU A 258
HIS A 201
 None
 1.21A 2qxsB-2rfaA:
undetectable		 2qxsB-2rfaA:
23.08
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.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 LEU A 490
ASP A 688
MET A 193
LEU A 189
 None
 1.22A 2qxsB-2xf2A:
undetectable		 2qxsB-2xf2A:
15.98
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.
2yp1 AROMATIC
PEROXYGENASE

(Agrocybe
aegerita) 		PF01328
(Peroxidase_2) 		4 LEU A  48
ASP A  31
LEU A  67
HIS A  22
 None
None
HEM  A 350 ( 4.8A)
None
 0.79A 2qxsB-2yp1A:
undetectable		 2qxsB-2yp1A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z2u UPF0026 PROTEIN
MJ0257

(Methanocaldococcus
jannaschii) 		PF04055
(Radical_SAM)
PF08608
(Wyosine_form) 		4 LEU A 100
ASP A  18
MET A 108
LEU A 126
 None
 1.09A 2qxsB-2z2uA:
undetectable		 2qxsB-2z2uA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 179
ASP A 169
LEU A 227
HIS A 206
 None
 1.31A 2qxsB-2z81A:
undetectable		 2qxsB-2z81A:
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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE

(Bifidobacterium
breve) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 LEU A 157
ASP A 182
MET A  93
HIS A  64
 HTL  A 827 (-3.9A)
MG  A 826 ( 2.8A)
None
HTL  A 827 (-4.3A)
 1.22A 2qxsB-3ahiA:
undetectable		 2qxsB-3ahiA:
15.08
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 LEU A 157
ASP A 182
MET A  93
HIS A  64
 TPP  A 900 (-4.0A)
CA  A 901 ( 3.0A)
None
None
 1.23A 2qxsB-3ai7A:
undetectable		 2qxsB-3ai7A:
15.09
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.
3bq8 SENSOR PROTEIN PHOQ

(Escherichia
coli) 		PF08918
(PhoQ_Sensor) 		4 LEU A 132
ASP A 125
MET A 106
LEU A  87
 None
 1.20A 2qxsB-3bq8A:
undetectable		 2qxsB-3bq8A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cb5 FACT COMPLEX SUBUNIT
SPT16

(Schizosaccharomyces
pombe) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		4 LEU A  70
ASP A 150
LEU A  73
HIS A  58
 None
 1.32A 2qxsB-3cb5A:
undetectable		 2qxsB-3cb5A:
21.41
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.
3cij UPF0100 PROTEIN
AF_0094

(Archaeoglobus
fulgidus) 		PF13531
(SBP_bac_11) 		4 ASP A 152
MET A 213
LEU A 230
HIS A 223
 None
 1.15A 2qxsB-3cijA:
undetectable		 2qxsB-3cijA:
23.08
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.
3cwv DNA GYRASE, B
SUBUNIT, TRUNCATED

(Myxococcus
xanthus) 		PF00204
(DNA_gyraseB) 		4 LEU A 299
ASP A 247
LEU A 279
HIS A 346
 None
 1.11A 2qxsB-3cwvA:
undetectable		 2qxsB-3cwvA:
23.04
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.
3d3l ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Homo sapiens) 		PF00305
(Lipoxygenase) 		4 LEU A 241
ASP A 351
MET A 302
LEU A 273
 None
 1.19A 2qxsB-3d3lA:
undetectable		 2qxsB-3d3lA:
18.75
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.
3dpu RAB FAMILY PROTEIN

(Chlorobaculum
tepidum) 		PF08477
(Roc)
PF16095
(COR) 		4 LEU A 613
ASP A 503
LEU A 468
HIS A 596
 None
 1.27A 2qxsB-3dpuA:
undetectable		 2qxsB-3dpuA:
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.
3gzs UNCHARACTERIZED SUSD
SUPERFAMILY PROTEIN

(Bacteroides
fragilis) 		PF12741
(SusD-like) 		4 LEU A 205
ASP A 226
LEU A 198
HIS A 263
 None
 1.08A 2qxsB-3gzsA:
undetectable		 2qxsB-3gzsA:
17.70
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.
3kd8 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Thermoplasma
acidophilum) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		4 LEU A   9
ASP A  14
MET A  46
HIS A  61
 None
 1.21A 2qxsB-3kd8A:
undetectable		 2qxsB-3kd8A:
19.85
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.
3kin KINESIN HEAVY CHAIN

(Rattus
norvegicus) 		PF00225
(Kinesin) 		4 LEU A 210
ASP A 145
MET B 284
LEU B 288
 None
 1.10A 2qxsB-3kinA:
undetectable		 2qxsB-3kinA:
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.
3lad DIHYDROLIPOAMIDE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 414
ASP A 411
LEU A 351
HIS A 417
 None
 1.27A 2qxsB-3ladA:
undetectable		 2qxsB-3ladA:
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.
3lmz PUTATIVE SUGAR
ISOMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		4 LEU A  58
ASP A  77
MET A  48
LEU A  65
 None
 1.24A 2qxsB-3lmzA:
undetectable		 2qxsB-3lmzA:
20.55
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.
3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 LEU B1111
ASP B1115
LEU B1195
HIS A  44
 None
 1.15A 2qxsB-3myrB:
undetectable		 2qxsB-3myrB:
18.36
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.
3n0t DIPEPTIDYL PEPTIDASE
2

(Homo sapiens) 		PF05577
(Peptidase_S28) 		4 LEU A 141
ASP A 148
LEU A 171
HIS A  42
 None
 1.31A 2qxsB-3n0tA:
undetectable		 2qxsB-3n0tA:
20.31
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.
3ozv FLAVOHEMOGLOBIN

(Cupriavidus
necator) 		no annotation 4 ASP B 264
MET B 284
LEU B 271
HIS B 392
 None
 1.27A 2qxsB-3ozvB:
undetectable		 2qxsB-3ozvB:
19.22
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.
3pmk NUCLEOCAPSID PROTEIN

(Recombinant
vesicular
stomatitis
Indiana virus
rVSV-G/GFP) 		PF00945
(Rhabdo_ncap) 		4 ASP A  23
MET A 261
LEU A 228
HIS A 298
 None
 1.12A 2qxsB-3pmkA:
undetectable		 2qxsB-3pmkA:
21.03
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		4 LEU A 242
ASP A 352
MET A 303
LEU A 274
 None
 1.27A 2qxsB-3rdeA:
undetectable		 2qxsB-3rdeA:
20.60
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		4 LEU A 125
ASP A 131
LEU A  20
HIS A  97
 None
 1.13A 2qxsB-3rysA:
undetectable		 2qxsB-3rysA:
22.38
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.
3rzv STAM-BINDING PROTEIN

(Homo sapiens) 		PF01398
(JAB) 		4 LEU A 263
ASP A 415
LEU A 331
HIS A 298
 None
 1.30A 2qxsB-3rzvA:
undetectable		 2qxsB-3rzvA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tix CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Schizosaccharomyces
pombe) 		no annotation 4 LEU B 603
ASP B 625
LEU B 524
HIS B 598
 None
 1.26A 2qxsB-3tixB:
undetectable		 2qxsB-3tixB:
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.
3ux8 EXCINUCLEASE ABC, A
SUBUNIT

(Geobacillus sp.
Y412MC52) 		PF00005
(ABC_tran) 		4 LEU A 867
ASP A 862
LEU A 840
HIS A 872
 None
 1.20A 2qxsB-3ux8A:
undetectable		 2qxsB-3ux8A:
17.79
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.
3vcy UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aliivibrio
fischeri) 		PF00275
(EPSP_synthase) 		4 LEU A  13
ASP A  10
MET A 285
LEU A 283
 None
 1.19A 2qxsB-3vcyA:
undetectable		 2qxsB-3vcyA:
21.79
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.
3w6x MPR1 PROTEIN

(Saccharomyces
cerevisiae) 		no annotation 4 LEU A  99
ASP A 102
LEU A 153
HIS A 144
 None
 1.29A 2qxsB-3w6xA:
undetectable		 2qxsB-3w6xA:
21.30
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.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		4 LEU A  49
ASP A  67
LEU A 183
HIS A  52
 None
 1.25A 2qxsB-3wibA:
undetectable		 2qxsB-3wibA:
20.31
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.
4b7x PROBABLE
OXIDOREDUCTASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		4 LEU A 139
ASP A 141
MET A 292
LEU A 301
 None
 1.32A 2qxsB-4b7xA:
undetectable		 2qxsB-4b7xA:
22.35
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.
4cs6 AMINOGLYCOSIDE
ADENYLTRANSFERASE

(Salmonella
enterica) 		PF01909
(NTP_transf_2)
PF13427
(DUF4111) 		4 LEU A 139
MET A 131
LEU A  96
HIS A  32
 None
 1.07A 2qxsB-4cs6A:
undetectable		 2qxsB-4cs6A:
24.30
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.
4f48 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Xanthomonas
campestris) 		PF00563
(EAL) 		4 LEU A 181
ASP A 188
MET A 224
LEU A  31
 None
 1.28A 2qxsB-4f48A:
undetectable		 2qxsB-4f48A:
23.38
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 LEU A 232
ASP A 235
LEU A 138
HIS A 257
 LEU  A 232 ( 0.5A)
ASP  A 235 ( 0.5A)
LEU  A 138 ( 0.5A)
HIS  A 257 ( 1.0A)
 1.20A 2qxsB-4flxA:
undetectable		 2qxsB-4flxA:
16.51
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.
4fxb PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		4 LEU A 265
ASP A 267
MET A 257
LEU A 370
 None
 0.99A 2qxsB-4fxbA:
2.0		 2qxsB-4fxbA:
19.86
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.
4g1p CYS-GLY
METALLODIPEPTIDASE
DUG1

(Saccharomyces
cerevisiae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 LEU A 281
ASP A 415
MET A 311
LEU A 274
 None
 1.15A 2qxsB-4g1pA:
undetectable		 2qxsB-4g1pA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4inf METAL-DEPENDENT
HYDROLASE

(Novosphingobium
aromaticivorans) 		PF04909
(Amidohydro_2) 		4 LEU A  47
ASP A  41
LEU A  66
HIS A 188
 OXD  A 407 (-4.5A)
None
None
CA  A 401 (-3.5A)
 1.24A 2qxsB-4infA:
undetectable		 2qxsB-4infA:
22.55
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.
4j6e UDP-2,3-DIACYLGLUCOS
AMINE
PYROPHOSPHATASE LPXI

(Caulobacter
vibrioides) 		PF06230
(DUF1009) 		4 LEU A 191
ASP A 196
LEU A 269
HIS A 235
 None
 0.73A 2qxsB-4j6eA:
undetectable		 2qxsB-4j6eA:
23.03
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.
4lx4 ENDOGLUCANASE(ENDO-1
,4-BETA-GLUCANASE)PR
OTEIN

(Pseudomonas
stutzeri) 		PF00150
(Cellulase) 		4 LEU A 207
ASP A 210
MET A 266
LEU A 270
 None
 1.26A 2qxsB-4lx4A:
undetectable		 2qxsB-4lx4A:
19.39
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		4 LEU A 798
ASP A 791
LEU A 782
HIS A 889
 None
 1.27A 2qxsB-4n78A:
undetectable		 2qxsB-4n78A:
11.51
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.
4ou4 ALPHA/BETA HYDROLASE
FOLD-3 DOMAIN
PROTEIN

(Pseudomonas sp.
ECU1011) 		PF07859
(Abhydrolase_3) 		4 ASP A 256
MET A 304
LEU A 104
HIS A  97
 None
 1.29A 2qxsB-4ou4A:
undetectable		 2qxsB-4ou4A:
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.
4p0e MAF-LIKE PROTEIN
YHDE

(Escherichia
coli) 		PF02545
(Maf) 		4 LEU A  93
ASP A 131
LEU A 144
HIS A  88
 None
 0.79A 2qxsB-4p0eA:
undetectable		 2qxsB-4p0eA:
22.66
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.
4q8h PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Saccharomyces
cerevisiae) 		PF00929
(RNase_T)
PF13423
(UCH_1) 		4 LEU A 741
ASP A 743
MET A 840
LEU A 756
 None
 1.27A 2qxsB-4q8hA:
undetectable		 2qxsB-4q8hA:
16.74
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 LEU B 215
ASP B 263
MET B 232
LEU B 320
 None
 1.32A 2qxsB-4qiwB:
undetectable		 2qxsB-4qiwB:
12.30
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.
4rk2 PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF01547
(SBP_bac_1) 		4 LEU A 231
ASP A 176
LEU A 413
HIS A 399
 None
 1.17A 2qxsB-4rk2A:
undetectable		 2qxsB-4rk2A:
19.90
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.
4rvp SUPEROXIDE DISMUTASE

(Sedum alfredii) 		PF00080
(Sod_Cu) 		4 LEU A  59
ASP A 113
LEU A  21
HIS A 132
 None
 1.06A 2qxsB-4rvpA:
undetectable		 2qxsB-4rvpA:
18.68
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.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 LEU L 131
ASP L 135
LEU L 216
HIS S  45
 None
 1.13A 2qxsB-4u9iL:
1.5		 2qxsB-4u9iL:
19.40
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.
4yry DIHYDROOROTATE
DEHYDROGENASE B
(NAD(+)), ELECTRON
TRANSFER SUBUNIT
HOMOLOG

(Thermotoga
maritima) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
PF10418
(DHODB_Fe-S_bind) 		4 LEU A 136
ASP A 161
MET A 175
LEU A 107
 None
 1.10A 2qxsB-4yryA:
undetectable		 2qxsB-4yryA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yry DIHYDROOROTATE
DEHYDROGENASE B
(NAD(+)), ELECTRON
TRANSFER SUBUNIT
HOMOLOG

(Thermotoga
maritima) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
PF10418
(DHODB_Fe-S_bind) 		4 LEU A 136
ASP A 162
MET A 175
LEU A 107
 None
NAD  A 503 ( 3.7A)
None
None
 0.94A 2qxsB-4yryA:
undetectable		 2qxsB-4yryA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z0c TOLL-LIKE RECEPTOR
13

(Mus musculus) 		PF00560
(LRR_1)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 217
ASP A 212
LEU A 226
HIS A 222
 None
 1.05A 2qxsB-4z0cA:
undetectable		 2qxsB-4z0cA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dds CRMG

(Actinoalloteichus
sp. WH1-2216-6) 		PF00202
(Aminotran_3) 		4 LEU A 237
ASP A 240
LEU A 312
HIS A 208
 None
 1.19A 2qxsB-5ddsA:
undetectable		 2qxsB-5ddsA:
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.
5gmk PRE-MRNA-SPLICING
FACTOR CWC22

(Saccharomyces
cerevisiae) 		PF02847
(MA3) 		4 LEU Z  94
MET Z  99
LEU Z 121
HIS Z 225
 None
 1.13A 2qxsB-5gmkZ:
undetectable		 2qxsB-5gmkZ:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h12 DEEP VENT DNA
POLYMERASE

(Pyrococcus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 LEU A 232
ASP A 235
LEU A 138
HIS A 257
 None
 1.23A 2qxsB-5h12A:
undetectable		 2qxsB-5h12A:
17.53
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.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 LEU A 276
ASP A 282
MET A  58
LEU A 258
 None
 0.90A 2qxsB-5iy9A:
undetectable		 2qxsB-5iy9A:
9.92
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.
5l3s SIGNAL RECOGNITION
PARTICLE 54 KDA
PROTEIN
SIGNAL RECOGNITION
PARTICLE RECEPTOR
FTSY

(Sulfolobus
acidocaldarius;
Sulfolobus
solfataricus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 LEU B 302
ASP A  38
LEU B 291
HIS B 307
 None
 1.16A 2qxsB-5l3sB:
undetectable		 2qxsB-5l3sB:
22.08
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.
5lxv CARBOHYDRATE-BINDING
PROTEIN WP_009985128
SCAFFOLDIN C

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin)
no annotation 		4 LEU B 942
ASP A  77
MET B 907
LEU B 893
 None
 1.01A 2qxsB-5lxvB:
undetectable		 2qxsB-5lxvB:
15.38
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.
5mrv CARBOXYPEPTIDASE O

(Homo sapiens) 		no annotation 4 LEU A 223
ASP A 276
MET A 215
LEU A 291
 None
 1.25A 2qxsB-5mrvA:
undetectable		 2qxsB-5mrvA:
11.95
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) 		4 LEU A 298
MET A 340
LEU A 380
HIS A 475
 EST  A 601 (-4.1A)
EST  A 601 ( 4.8A)
None
EST  A 601 (-4.4A)
 0.43A 2qxsB-5toaA:
30.4		 2qxsB-5toaA:
57.14
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.
5tr3 DIHYDROLIPOYL
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 415
ASP A 412
LEU A 352
HIS A 418
 None
 1.32A 2qxsB-5tr3A:
undetectable		 2qxsB-5tr3A:
18.31
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.
5wqk SULFURTRANSFERASE

(Mus musculus) 		PF00581
(Rhodanese) 		4 LEU A 128
ASP A 101
LEU A  20
HIS A  96
 None
 1.26A 2qxsB-5wqkA:
undetectable		 2qxsB-5wqkA:
21.47
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.
5y7f UGGT

(Thermomyces
dupontii) 		PF01501
(Glyco_transf_8) 		4 LEU A1277
ASP A1280
LEU A1384
HIS A1375
 None
 1.20A 2qxsB-5y7fA:
undetectable		 2qxsB-5y7fA:
21.02
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.
5zvs VP2

(Aquareovirus C) 		no annotation 4 LEU 2 322
ASP 2 324
MET 2 290
LEU 2 793
 None
 1.05A 2qxsB-5zvs2:
undetectable		 2qxsB-5zvs2:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bk5 UBIQUITIN LIGASE CBL

(Salpingoeca
rosetta) 		no annotation 4 LEU A 134
ASP A 118
LEU A  73
HIS A 108
 None
 1.28A 2qxsB-6bk5A:
undetectable		 2qxsB-6bk5A:
15.69
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.
6emk TARGET OF RAPAMYCIN
COMPLEX SUBUNIT LST8

(Saccharomyces
cerevisiae) 		no annotation 4 LEU B 131
ASP B 193
LEU B 165
HIS B 115
 None
 1.12A 2qxsB-6emkB:
undetectable		 2qxsB-6emkB:
16.67