SIMILAR PATTERNS OF AMINO ACIDS FOR 4XI3_C_29SC601

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.
1as4 ANTICHYMOTRYPSIN

(Homo sapiens) 		PF00079
(Serpin) 		6 THR A  59
ALA A  60
LEU A 184
LEU A 299
GLY A  79
LEU A  80
 None
 1.27A 4xi3C-1as4A:
undetectable		 4xi3C-1as4A:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aye PROCARBOXYPEPTIDASE
A2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 THR A  78
LEU A  80
ALA A  79
LEU A 107
LEU A 297
 None
 1.04A 4xi3C-1ayeA:
undetectable		 4xi3C-1ayeA:
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.
1dtd CARBOXYPEPTIDASE A2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		5 THR A 433
LEU A 435
ALA A 434
LEU A 462
LEU A 653
 None
 0.98A 4xi3C-1dtdA:
undetectable		 4xi3C-1dtdA:
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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		5 LEU A 199
ALA A 196
LEU A 248
LEU A 249
GLY A 242
 None
 1.09A 4xi3C-1ekqA:
undetectable		 4xi3C-1ekqA:
20.63
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.
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
 1.03A 4xi3C-1g8kA:
undetectable		 4xi3C-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.
1ih5 AQUAPORIN-1

(Homo sapiens) 		PF00230
(MIP) 		5 LEU A  19
ALA A  20
LEU A  63
GLY A  72
LEU A  75
 None
 1.01A 4xi3C-1ih5A:
undetectable		 4xi3C-1ih5A:
21.31
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.
1l7v VITAMIN B12
TRANSPORT
ATP-BINDING PROTEIN
BTUD

(Escherichia
coli) 		PF00005
(ABC_tran) 		5 LEU C  29
LEU C 157
LEU C  43
LEU C  42
GLY C  48
 None
 1.06A 4xi3C-1l7vC:
undetectable		 4xi3C-1l7vC:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT

(Paracoccus
denitrificans) 		no annotation 5 LEU B  58
ALA B  50
LEU B  89
GLY B  45
LEU B  63
 None
 1.08A 4xi3C-1pbyB:
undetectable		 4xi3C-1pbyB:
22.13
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) 		11 THR A 347
LEU A 349
ALA A 350
TRP A 383
LEU A 387
MET A 388
LEU A 391
ARG A 394
MET A 421
GLY A 521
LEU A 525
 None
EST  A   1 ( 4.8A)
EST  A   1 ( 3.7A)
None
EST  A   1 (-4.0A)
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.3A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.6A)
 0.68A 4xi3C-1pcgA:
32.5		 4xi3C-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) 		6 THR A 347
LEU A 349
LEU A 354
TRP A 383
MET A 388
ARG A 394
 None
EST  A   1 ( 4.8A)
None
None
None
EST  A   1 (-3.7A)
 0.66A 4xi3C-1pcgA:
32.5		 4xi3C-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.
1q7s BIT1

(Homo sapiens) 		PF01981
(PTH2) 		5 THR A 125
ALA A 128
LEU A 130
GLY A 174
LEU A 176
 None
 1.02A 4xi3C-1q7sA:
undetectable		 4xi3C-1q7sA:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qmn ALPHA-1-ANTICHYMOTRY
PSIN

(Homo sapiens) 		PF00079
(Serpin) 		6 THR A  59
ALA A  60
LEU A 184
LEU A 299
GLY A  79
LEU A  80
 None
 1.32A 4xi3C-1qmnA:
undetectable		 4xi3C-1qmnA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rtr GERANYLTRANSTRANSFER
ASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		5 THR A 117
LEU A 115
ALA A 114
LEU A 110
LEU A  30
 None
 0.98A 4xi3C-1rtrA:
undetectable		 4xi3C-1rtrA:
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.
1sh8 HYPOTHETICAL PROTEIN
PA5026

(Pseudomonas
aeruginosa) 		PF14539
(DUF4442) 		5 THR A   5
LEU A   7
ALA A   8
LEU A  68
GLY A  32
 None
 1.00A 4xi3C-1sh8A:
undetectable		 4xi3C-1sh8A:
22.32
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
GLY A 500
 MEI  A1001 (-3.3A)
None
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
None
 0.80A 4xi3C-1uhlA:
22.5		 4xi3C-1uhlA:
30.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 343
TRP A 376
LEU A 380
ARG A 387
LEU A 507
 MEI  A1001 (-3.3A)
None
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
MEI  A1001 (-4.6A)
 0.87A 4xi3C-1uhlA:
22.5		 4xi3C-1uhlA:
30.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vzy 33 KDA CHAPERONIN

(Bacillus
subtilis) 		PF01430
(HSP33) 		5 LEU A 104
ALA A  40
LEU A  42
LEU A 162
GLY A 174
 None
 1.03A 4xi3C-1vzyA:
undetectable		 4xi3C-1vzyA:
22.41
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.
1woy METHIONYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g) 		5 THR A 271
LEU A 273
LEU A 231
LEU A 232
LEU A 201
 None
 0.91A 4xi3C-1woyA:
undetectable		 4xi3C-1woyA:
18.79
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.
1wxv BAG-FAMILY MOLECULAR
CHAPERONE
REGULATOR-1

(Homo sapiens) 		PF00240
(ubiquitin) 		5 THR A  13
LEU A  81
LEU A  21
LEU A  37
GLY A  76
 None
 1.03A 4xi3C-1wxvA:
undetectable		 4xi3C-1wxvA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 THR A 135
LEU A 137
ALA A 138
LEU A 142
GLY B 315
 None
 0.83A 4xi3C-1wytA:
undetectable		 4xi3C-1wytA:
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.
1xfc ALANINE RACEMASE

(Mycobacterium
tuberculosis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A 155
ALA A 158
LEU A 118
LEU A 117
GLY A 125
 None
 1.00A 4xi3C-1xfcA:
undetectable		 4xi3C-1xfcA:
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		5 ALA A 246
LEU A 250
TRP A 279
ARG A 290
GLY A 403
 9CR  A 201 (-3.6A)
None
None
9CR  A 201 (-2.8A)
None
 0.96A 4xi3C-1xiuA:
22.3		 4xi3C-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
TRP A 279
LEU A 283
ARG A 290
GLY A 403
 9CR  A 201 (-3.6A)
None
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
None
 0.80A 4xi3C-1xiuA:
22.3		 4xi3C-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
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)
 0.96A 4xi3C-1xiuA:
22.3		 4xi3C-1xiuA:
29.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 272
TRP A 305
LEU A 309
ARG A 316
GLY A 429
 9CR  A 801 (-3.5A)
None
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
None
 0.91A 4xi3C-1xlsA:
22.2		 4xi3C-1xlsA:
31.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 272
TRP A 305
LEU A 309
ARG A 316
LEU A 436
 9CR  A 801 (-3.5A)
None
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
9CR  A 801 (-4.7A)
 0.92A 4xi3C-1xlsA:
22.2		 4xi3C-1xlsA:
31.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yio RESPONSE REGULATORY
PROTEIN

(Pseudomonas
fluorescens) 		PF00072
(Response_reg)
PF00196
(GerE) 		5 ALA A  27
LEU A 113
LEU A 112
GLY A 119
LEU A 120
 None
None
None
None
HG  A 211 (-2.6A)
 1.06A 4xi3C-1yioA:
undetectable		 4xi3C-1yioA:
21.67
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.
2dut HETEROCHROMATIN-ASSO
CIATED PROTEIN MENT

(Gallus gallus) 		PF00079
(Serpin) 		5 THR A  42
LEU A  44
ALA A  45
LEU A 133
LEU A 187
 None
 0.96A 4xi3C-2dutA:
undetectable		 4xi3C-2dutA:
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.
2e2n HEXOKINASE

(Sulfurisphaera
tokodaii) 		PF01869
(BcrAD_BadFG) 		5 THR A  80
LEU A  82
ALA A  83
GLY A  69
LEU A  70
 None
 0.99A 4xi3C-2e2nA:
undetectable		 4xi3C-2e2nA:
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.
2fvg ENDOGLUCANASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		5 ALA A 160
LEU A   3
LEU A 315
GLY A 239
LEU A 238
 None
 1.00A 4xi3C-2fvgA:
undetectable		 4xi3C-2fvgA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g0t CONSERVED
HYPOTHETICAL PROTEIN

(Thermotoga
maritima) 		PF07755
(DUF1611)
PF17396
(DUF1611_N) 		5 LEU A 104
ALA A 103
LEU A  99
LEU A  81
GLY A  77
 None
 1.02A 4xi3C-2g0tA:
undetectable		 4xi3C-2g0tA:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 271
ALA A 272
TRP A 305
LEU A 309
ARG A 316
 OHT  A 500 ( 4.4A)
OHT  A 500 (-3.5A)
None
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
 0.39A 4xi3C-2gpvA:
26.3		 4xi3C-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.
2lao LYSINE, ARGININE,
ORNITHINE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00497
(SBP_bac_3) 		5 LEU A 155
ALA A 158
LEU A 159
GLY A 168
LEU A 170
 None
 1.05A 4xi3C-2laoA:
undetectable		 4xi3C-2laoA:
21.48
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.
2lop TRANSMEMBRANE
PROTEIN 14A

(Homo sapiens) 		PF03647
(Tmemb_14) 		5 LEU A  88
MET A  89
LEU A  92
GLY A  32
LEU A  29
 None
 0.99A 4xi3C-2lopA:
undetectable		 4xi3C-2lopA:
17.37
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.
2n47 SLR1183 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13649
(Methyltransf_25) 		5 LEU A 187
ALA A 186
LEU A 175
GLY A 142
LEU A 147
 None
 1.07A 4xi3C-2n47A:
undetectable		 4xi3C-2n47A:
23.62
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) 		10 THR A 347
LEU A 349
ALA A 350
TRP A 383
LEU A 387
MET A 388
ARG A 394
MET A 421
GLY A 521
LEU A 525
 None
EST  A 596 ( 4.1A)
EST  A 596 ( 3.9A)
None
EST  A 596 ( 4.2A)
None
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
EST  A 596 ( 4.0A)
EST  A 596 (-3.6A)
 0.87A 4xi3C-2ocfA:
31.7		 4xi3C-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) 		10 THR A 347
LEU A 349
ALA A 350
TRP A 383
LEU A 387
MET A 388
LEU A 391
ARG A 394
MET A 421
GLY A 521
 None
EST  A 596 ( 4.1A)
EST  A 596 ( 3.9A)
None
EST  A 596 ( 4.2A)
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
EST  A 596 ( 4.0A)
 0.67A 4xi3C-2ocfA:
31.7		 4xi3C-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
LEU A 349
LEU A 354
TRP A 383
LEU A 391
ARG A 394
 None
EST  A 596 ( 4.1A)
None
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
 0.79A 4xi3C-2ocfA:
31.7		 4xi3C-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.
2ojq PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN

(Homo sapiens) 		PF13949
(ALIX_LYPXL_bnd) 		5 THR A 389
LEU A 391
ALA A 392
LEU A 396
LEU A 626
 None
 1.05A 4xi3C-2ojqA:
undetectable		 4xi3C-2ojqA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 LEU A  35
ALA A  36
LEU A  77
ARG A  80
MET A 108
 1CA  A 247 ( 4.4A)
1CA  A 247 (-3.6A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.9A)
 0.83A 4xi3C-2q3yA:
25.0		 4xi3C-2q3yA:
27.84
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.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 LEU A  35
ALA A  36
TRP A  69
LEU A  77
ARG A  80
 1CA  A 247 ( 4.4A)
1CA  A 247 (-3.6A)
None
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
 0.61A 4xi3C-2q3yA:
25.0		 4xi3C-2q3yA:
27.84
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.
2v3b RUBREDOXIN REDUCTASE

(Pseudomonas
aeruginosa) 		PF07992
(Pyr_redox_2) 		5 THR A 245
LEU A 247
ALA A 248
LEU A 107
GLY A 276
 None
None
None
None
FAD  A1385 (-3.5A)
 1.02A 4xi3C-2v3bA:
undetectable		 4xi3C-2v3bA:
21.16
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		5 THR A 743
LEU A 745
ALA A 742
LEU A 772
GLY A 733
 None
 1.04A 4xi3C-2vf8A:
undetectable		 4xi3C-2vf8A:
15.18
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.
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
 0.92A 4xi3C-2w8sA:
undetectable		 4xi3C-2w8sA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xub DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC3

(Homo sapiens) 		PF05645
(RNA_pol_Rpc82)
PF08221
(HTH_9) 		5 ALA A 431
LEU A 435
MET A 398
LEU A 399
LEU A 370
 None
 0.89A 4xi3C-2xubA:
undetectable		 4xi3C-2xubA:
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.
2yvu PROBABLE
ADENYLYL-SULFATE
KINASE

(Aeropyrum
pernix) 		PF01583
(APS_kinase) 		6 THR A  31
LEU A  33
ALA A  30
LEU A  18
LEU A 163
GLY A  23
 None
 1.16A 4xi3C-2yvuA:
undetectable		 4xi3C-2yvuA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbl PUTATIVE ISOMERASE

(Salmonella
enterica) 		PF07221
(GlcNAc_2-epim) 		5 THR A 324
ALA A 327
LEU A 331
LEU A 395
LEU A 255
 None
 1.04A 4xi3C-2zblA:
undetectable		 4xi3C-2zblA:
18.25
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.
2zc0 ALANINE GLYOXYLATE
TRANSAMINASE

(Thermococcus
litoralis) 		PF00155
(Aminotran_1_2) 		5 THR A 135
LEU A 137
ALA A 138
LEU A 142
GLY A 106
 None
IMD  A 410 (-4.6A)
None
None
PMP  A 409 (-2.8A)
 0.96A 4xi3C-2zc0A:
undetectable		 4xi3C-2zc0A:
22.89
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.
3a7k HALORHODOPSIN

(Natronomonas
pharaonis) 		PF01036
(Bac_rhodopsin) 		5 TRP A 121
LEU A 125
LEU A 129
GLY A  84
LEU A  89
 None
None
L1P  A 293 ( 4.9A)
L1P  A 293 ( 4.5A)
L1P  A 293 (-4.4A)
 1.07A 4xi3C-3a7kA:
2.3		 4xi3C-3a7kA:
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.
3bze HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, ALPHA CHAIN
E

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 THR A 187
LEU A 206
ALA A 205
GLY A 265
LEU A 266
 None
 1.04A 4xi3C-3bzeA:
undetectable		 4xi3C-3bzeA:
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.
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
GLY A 429
 9CR  A7223 (-4.2A)
None
None
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
None
 0.92A 4xi3C-3dzuA:
22.5		 4xi3C-3dzuA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		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)
 0.85A 4xi3C-3dzuA:
22.5		 4xi3C-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.
3e1s EXODEOXYRIBONUCLEASE
V, SUBUNIT RECD

(Deinococcus
radiodurans) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30)
PF14490
(HHH_4) 		5 LEU A 479
ALA A 483
LEU A 316
LEU A 315
GLY A 352
 None
 0.86A 4xi3C-3e1sA:
undetectable		 4xi3C-3e1sA:
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.
3fht ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A 150
ALA A 151
LEU A 127
LEU A  97
LEU A 134
 None
 1.06A 4xi3C-3fhtA:
undetectable		 4xi3C-3fhtA:
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.
3h2s PUTATIVE NADH-FLAVIN
REDUCTASE

(Lactobacillus
paracasei) 		PF13460
(NAD_binding_10) 		5 THR A  87
LEU A  89
ALA A  86
LEU A  70
GLY A  79
 None
None
None
NDP  A 301 (-4.4A)
None
 1.03A 4xi3C-3h2sA:
undetectable		 4xi3C-3h2sA:
21.71
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.
3k9t PUTATIVE PEPTIDASE

(Clostridium
acetobutylicum) 		PF09940
(DUF2172)
PF16221
(HTH_47)
PF16254
(DUF4910) 		5 THR A 251
ALA A 250
LEU A 248
MET A 333
GLY A 337
 None
 1.04A 4xi3C-3k9tA:
undetectable		 4xi3C-3k9tA:
19.64
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.
3nrh UNCHARACTERIZED
PROTEIN BF1032

(Bacteroides
fragilis) 		PF16702
(DUF5063) 		5 ALA A  20
TRP A 153
LEU A  49
LEU A  48
LEU A  56
 None
 0.88A 4xi3C-3nrhA:
undetectable		 4xi3C-3nrhA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		6 LEU A 394
ALA A 392
LEU A 388
LEU A 503
LEU A 509
GLY A 407
 None
 1.26A 4xi3C-3pvcA:
undetectable		 4xi3C-3pvcA:
15.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qoc PUTATIVE
METALLOPEPTIDASE

(Corynebacterium
diphtheriae) 		PF01321
(Creatinase_N) 		5 THR A  32
LEU A  50
ALA A  49
LEU A  89
LEU A 114
 None
 0.95A 4xi3C-3qocA:
undetectable		 4xi3C-3qocA:
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.
3tr9 DIHYDROPTEROATE
SYNTHASE

(Coxiella
burnetii) 		PF00809
(Pterin_bind) 		5 THR A 143
LEU A 141
ALA A 140
LEU A 137
LEU A 153
 None
 0.98A 4xi3C-3tr9A:
undetectable		 4xi3C-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.
3ud2 ANKYRIN-1

(Homo sapiens) 		no annotation 5 THR C1219
ALA C1222
LEU C1173
LEU C1213
GLY C1190
 None
 1.08A 4xi3C-3ud2C:
undetectable		 4xi3C-3ud2C:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uoe DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02615
(Ldh_2) 		5 THR A 316
ALA A 314
LEU A  34
ARG A   9
GLY A  40
 None
 1.04A 4xi3C-3uoeA:
undetectable		 4xi3C-3uoeA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wwx S12 FAMILY PEPTIDASE

(Streptomyces
sp. 82F2) 		PF00144
(Beta-lactamase) 		6 THR A  90
ALA A  93
LEU A  97
ARG A 132
GLY A 290
LEU A 287
 None
 1.41A 4xi3C-3wwxA:
undetectable		 4xi3C-3wwxA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zhe PROTEIN SMG-7

(Caenorhabditis
elegans) 		PF10373
(EST1_DNA_bind) 		5 LEU B  77
ALA B  78
LEU B  82
TRP B  50
LEU B  53
 None
 1.03A 4xi3C-3zheB:
undetectable		 4xi3C-3zheB:
22.65
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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		5 THR A 354
LEU A 357
ALA A 358
LEU A 263
ARG A 193
 None
None
None
FAD  A1509 (-4.4A)
None
 1.00A 4xi3C-3zxsA:
undetectable		 4xi3C-3zxsA:
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.
4ars HISTIDINE ACID
PHOSPHATASE

(Hafnia alvei) 		PF00328
(His_Phos_2) 		5 ALA A 101
LEU A 103
MET A  60
LEU A  59
GLY A 334
 None
 0.99A 4xi3C-4arsA:
undetectable		 4xi3C-4arsA:
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.
4arv PHYTASE

(Yersinia
kristensenii) 		PF00328
(His_Phos_2) 		5 ALA A  99
LEU A 101
MET A  59
LEU A  58
GLY A 334
 None
 0.95A 4xi3C-4arvA:
undetectable		 4xi3C-4arvA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bpl IMPORTIN SUBUNIT
ALPHA-1A

(Oryza sativa) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 THR A 240
ALA A 243
LEU A 206
GLY A 200
LEU A 197
 None
 1.01A 4xi3C-4bplA:
undetectable		 4xi3C-4bplA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 THR A 120
LEU A 122
ALA A 123
LEU A 323
ARG A  87
 None
 0.98A 4xi3C-4dzhA:
undetectable		 4xi3C-4dzhA:
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.
4f62 GERANYLTRANSTRANSFER
ASE

(Marinomonas sp.
MED121) 		PF00348
(polyprenyl_synt) 		5 THR A 118
LEU A 116
ALA A 115
LEU A 111
LEU A  31
 None
 0.93A 4xi3C-4f62A:
undetectable		 4xi3C-4f62A:
23.36
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.
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
GLY D 429
 None
 0.83A 4xi3C-4j5xD:
22.8		 4xi3C-4j5xD:
29.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0l PREDICTED COMPONENT
OF A
THERMOPHILE-SPECIFIC
DNA REPAIR SYSTEM,
CONTAINS A RAMP
DOMAIN

(Methanopyrus
kandleri) 		PF03787
(RAMPs) 		5 THR A   7
ALA A 277
LEU A 275
LEU A 347
GLY A 235
 None
 1.00A 4xi3C-4n0lA:
undetectable		 4xi3C-4n0lA:
19.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 LEU A 286
ALA A 287
LEU A 291
TRP A 320
LEU A 324
ARG A 331
 None
 0.57A 4xi3C-4n1yA:
27.0		 4xi3C-4n1yA:
38.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		5 LEU A 286
ALA A 287
LEU A 324
ARG A 331
MET A 358
 None
 0.91A 4xi3C-4n1yA:
27.0		 4xi3C-4n1yA:
38.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 LEU A 286
ALA A 287
TRP A 320
LEU A 324
ARG A 331
GLY A 447
 None
 0.71A 4xi3C-4n1yA:
27.0		 4xi3C-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.
4o5p UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF09994
(DUF2235) 		5 LEU A 248
ALA A 245
LEU A 326
LEU A  67
GLY A 237
 None
 1.02A 4xi3C-4o5pA:
undetectable		 4xi3C-4o5pA:
13.95
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.
4p53 CYCLASE

(Streptomyces
hygroscopicus) 		PF01761
(DHQ_synthase) 		5 THR A 393
LEU A 391
ALA A 390
LEU A 314
LEU A 326
 None
 1.02A 4xi3C-4p53A:
undetectable		 4xi3C-4p53A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rfs SUBSTRATE BINDING
PRITEIN S

(Lactobacillus
brevis) 		PF12822
(ECF_trnsprt) 		5 LEU S 129
ALA S 128
LEU S 178
LEU S 134
GLY S  61
 None
 1.09A 4xi3C-4rfsS:
undetectable		 4xi3C-4rfsS:
22.36
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.
4rfv BIFUNCTIONAL ENZYME
CYSN/CYSC

(Mycobacterium
tuberculosis) 		PF01583
(APS_kinase) 		5 THR A 509
LEU A 511
ALA A 508
TRP A 447
LEU A 482
 None
 1.09A 4xi3C-4rfvA:
undetectable		 4xi3C-4rfvA:
21.63
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.
4rnh MOTILITY REGULATOR

(Pseudomonas
aeruginosa) 		PF00563
(EAL)
PF00990
(GGDEF) 		5 THR A1041
LEU A1043
ALA A1040
LEU A1017
GLY A1032
 None
 1.07A 4xi3C-4rnhA:
undetectable		 4xi3C-4rnhA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A3236
LEU A3233
LEU A3307
LEU A3250
GLY A3311
 None
 1.06A 4xi3C-4tktA:
undetectable		 4xi3C-4tktA:
17.57
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.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 772
ALA A 773
TRP A 806
LEU A 810
LEU A 814
ARG A 817
 CV7  A1987 ( 4.5A)
CV7  A1987 (-3.5A)
None
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
 0.61A 4xi3C-4udbA:
24.4		 4xi3C-4udbA:
28.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Pseudomonas
aeruginosa) 		PF01425
(Amidase) 		5 LEU A 214
ALA A 168
LEU A 165
LEU A 120
MET A 201
 None
 0.91A 4xi3C-4wj3A:
undetectable		 4xi3C-4wj3A:
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.
5dld UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Burkholderia
vietnamiensis) 		PF02350
(Epimerase_2) 		5 THR A  99
LEU A 101
ALA A 102
LEU A  76
LEU A  61
 None
 0.86A 4xi3C-5dldA:
undetectable		 4xi3C-5dldA:
21.36
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.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 THR A 187
LEU A 185
ALA A 184
LEU A 180
MET A 197
 None
 1.04A 4xi3C-5eawA:
undetectable		 4xi3C-5eawA:
14.11
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.
5fwm HEAT SHOCK PROTEIN
HSP 90 BETA

(Homo sapiens) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 LEU A 663
ALA A 662
LEU A 658
LEU A 626
LEU A 584
 None
 1.06A 4xi3C-5fwmA:
undetectable		 4xi3C-5fwmA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 THR A 211
LEU A 213
ALA A 214
ARG A  95
LEU A 195
 None
 0.80A 4xi3C-5iq0A:
undetectable		 4xi3C-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.
5lgc ARCE4A

(Arthrobacter
sp. AW19M34-1) 		PF01522
(Polysacc_deac_1) 		5 THR A  30
ALA A  53
LEU A 197
LEU A  46
LEU A  43
 None
 1.04A 4xi3C-5lgcA:
undetectable		 4xi3C-5lgcA:
22.76
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF03814
(KdpA) 		5 LEU A 261
ALA A  20
LEU A  27
GLY A 280
LEU A 284
 None
 1.07A 4xi3C-5mrwA:
undetectable		 4xi3C-5mrwA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU A 772
ALA A 773
LEU A 814
ARG A 817
MET A 845
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.8A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
 0.88A 4xi3C-5mwpA:
24.2		 4xi3C-5mwpA:
14.68
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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU A 772
ALA A 773
TRP A 806
LEU A 814
ARG A 817
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.8A)
None
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
 0.58A 4xi3C-5mwpA:
24.2		 4xi3C-5mwpA:
14.68
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) 		10 THR A 299
LEU A 301
ALA A 302
TRP A 335
LEU A 339
MET A 340
LEU A 343
ARG A 346
GLY A 472
LEU A 476
 None
EST  A 601 ( 4.3A)
EST  A 601 ( 3.9A)
None
EST  A 601 (-3.9A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 (-4.0A)
EST  A 601 (-3.5A)
 0.75A 4xi3C-5toaA:
30.7		 4xi3C-5toaA:
59.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 THR A 299
LEU A 301
LEU A 306
TRP A 335
LEU A 343
ARG A 346
 None
EST  A 601 ( 4.3A)
None
None
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
 0.81A 4xi3C-5toaA:
30.7		 4xi3C-5toaA:
59.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 5 ALA A 272
TRP A 305
LEU A 309
ARG A 316
GLY A 429
 9CR  A 503 (-3.5A)
None
9CR  A 503 (-3.7A)
9CR  A 503 (-3.0A)
None
 0.99A 4xi3C-5uanA:
21.8		 4xi3C-5uanA:
24.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		5 LEU A  35
TRP A  69
LEU A  77
ARG A  80
MET A 108
 1TA  A 301 ( 3.6A)
None
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.0A)
 0.67A 4xi3C-5ufsA:
24.8		 4xi3C-5ufsA:
30.26
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.
5wbf METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER (TLPC)

(Helicobacter
pylori) 		no annotation 5 ALA A 117
LEU A 102
LEU A  94
GLY A  66
LEU A  70
 None
 1.05A 4xi3C-5wbfA:
undetectable		 4xi3C-5wbfA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.99A 4xi3C-5wbfA:
undetectable		 4xi3C-5wbfA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xvh 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING PROTEIN

(Pyrobaculum
calidifontis) 		no annotation 5 LEU A 254
ALA A 257
LEU A 259
LEU A 179
LEU A 236
 None
 0.95A 4xi3C-5xvhA:
undetectable		 4xi3C-5xvhA:
17.03
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.
5xxg -

(-) 		no annotation 5 ALA A 174
LEU A 171
LEU A 105
LEU A 104
LEU A 112
 None
 1.08A 4xi3C-5xxgA:
undetectable		 4xi3C-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.
5y1g NAD DEPENDENT
EPIMERASE/DEHYDRATAS
E FAMILY

(uncultured
archaeon
MedDCM-OCT-S05-C57) 		no annotation 6 ALA A 215
LEU A 219
LEU A 235
ARG A 281
GLY A 165
LEU A 166
 None
None
None
None
AKB  A 401 ( 3.7A)
NAD  A 402 (-3.8A)
 1.44A 4xi3C-5y1gA:
undetectable		 4xi3C-5y1gA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ak6 DESTRIN

(Homo sapiens;
Sus scrofa) 		PF00241
(Cofilin_ADF) 		4 LEU A 143
ILE A  55
HIS A  70
PRO A 164
 None
 1.08A 4xi3C-1ak6A:
undetectable		 4xi3C-1ak6A:
20.48
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.
1drk D-RIBOSE-BINDING
PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		4 LEU A 236
ASP A 215
GLU A 221
PRO A  14
 None
RIP  A 272 ( 2.6A)
None
None
 1.09A 4xi3C-1drkA:
0.0		 4xi3C-1drkA:
21.60
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.
1emy MYOGLOBIN

(Elephas maximus) 		PF00042
(Globin) 		4 LEU A   2
ASP A   4
ILE A  75
HIS A  82
 None
 0.96A 4xi3C-1emyA:
undetectable		 4xi3C-1emyA:
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.
1f5a POLY(A) POLYMERASE

(Bos taurus) 		PF01909
(NTP_transf_2)
PF04926
(PAP_RNA-bind)
PF04928
(PAP_central) 		4 LEU A  71
GLU A  78
ILE A 157
PRO A 121
 None
 1.00A 4xi3C-1f5aA:
undetectable		 4xi3C-1f5aA:
18.38
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.
1iwa RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E SMALL SUBUNIT

(Galdieria
partita) 		PF00101
(RuBisCO_small) 		4 LEU B  21
ASP B  23
GLU B  24
ILE B 113
 None
 1.10A 4xi3C-1iwaB:
undetectable		 4xi3C-1iwaB:
19.34
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.
1mx3 C-TERMINAL BINDING
PROTEIN 1

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 LEU A  32
ILE A  62
HIS A  63
PRO A  28
 None
 0.99A 4xi3C-1mx3A:
undetectable		 4xi3C-1mx3A:
21.28
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
GLU A 353
ILE A 424
HIS A 524
 None
EST  A   1 (-2.8A)
EST  A   1 ( 4.5A)
EST  A   1 (-3.8A)
 0.94A 4xi3C-1pcgA:
32.5		 4xi3C-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) 		4 LEU A 346
GLU A 353
ILE A 424
HIS A 524
 EST  A   1 (-4.4A)
EST  A   1 (-2.8A)
EST  A   1 ( 4.5A)
EST  A   1 (-3.8A)
 0.71A 4xi3C-1pcgA:
32.5		 4xi3C-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.
1r20 ULTRASPIRACLE
PROTEIN

(Heliothis
virescens) 		PF00104
(Hormone_recep) 		4 LEU A 337
ILE A 344
HIS A 434
PRO A 245
 None
EPH  A4000 ( 4.1A)
None
None
 1.08A 4xi3C-1r20A:
23.5		 4xi3C-1r20A:
28.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rqj GERANYLTRANSTRANSFER
ASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		4 GLU A  55
ILE A 132
HIS A 104
PRO A 120
 None
 1.06A 4xi3C-1rqjA:
0.3		 4xi3C-1rqjA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tp7 GENOME POLYPROTEIN

(Rhinovirus A) 		PF00680
(RdRP_1) 		4 LEU A 123
ASP A 129
ILE A  17
HIS A  18
 None
 0.91A 4xi3C-1tp7A:
0.0		 4xi3C-1tp7A:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ttu LIN-12 AND GLP-1
TRANSCRIPTIONAL
REGULATOR

(Caenorhabditis
elegans) 		PF01833
(TIG)
PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		4 LEU A 505
ASP A 502
ILE A 530
HIS A 518
 None
 1.10A 4xi3C-1ttuA:
undetectable		 4xi3C-1ttuA:
19.50
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.
1v33 DNA PRIMASE SMALL
SUBUNIT

(Pyrococcus
horikoshii) 		PF01896
(DNA_primase_S) 		4 LEU A 215
ASP A 120
ILE A 235
PRO A 102
 None
 1.02A 4xi3C-1v33A:
1.2		 4xi3C-1v33A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w7e BETA-IG-H3/FASCICLIN

(Rhodobacter
sphaeroides) 		PF02469
(Fasciclin) 		4 LEU A  87
GLU A 115
ILE A 149
PRO A  97
 None
 1.09A 4xi3C-1w7eA:
undetectable		 4xi3C-1w7eA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 LEU A  75
ASP A 605
ILE A 541
PRO A 635
 None
 1.07A 4xi3C-1wkbA:
undetectable		 4xi3C-1wkbA:
15.26
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.
1wyt GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		4 LEU B 196
GLU B 194
ILE B 222
PRO B 187
 None
 0.93A 4xi3C-1wytB:
undetectable		 4xi3C-1wytB:
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.
1xcj GUANIDINOACETATE
N-METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 4 GLU A  45
ILE A  87
HIS A  85
PRO A 230
 NMG  A 237 (-3.0A)
None
None
None
 1.07A 4xi3C-1xcjA:
undetectable		 4xi3C-1xcjA:
21.19
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.
1zpu IRON TRANSPORT
MULTICOPPER OXIDASE
FET3

(Saccharomyces
cerevisiae) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 LEU A 494
ILE A 360
HIS A 391
PRO A  97
 None
 1.03A 4xi3C-1zpuA:
undetectable		 4xi3C-1zpuA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dpl GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG] SUBUNIT B

(Pyrococcus
horikoshii) 		PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 LEU A 225
GLU A 259
ILE A 279
PRO A 187
 None
 1.10A 4xi3C-2dplA:
undetectable		 4xi3C-2dplA:
20.69
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.
2gkp HYPOTHETICAL PROTEIN
NMB0488

(Neisseria
meningitidis) 		PF07262
(CdiI) 		4 LEU A  56
GLU A  49
ILE A 122
PRO A  43
 None
 1.05A 4xi3C-2gkpA:
undetectable		 4xi3C-2gkpA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gno DNA POLYMERASE III,
GAMMA
SUBUNIT-RELATED
PROTEIN

(Thermotoga
maritima) 		PF13177
(DNA_pol3_delta2) 		4 LEU A 220
GLU A 222
ILE A 297
PRO A 167
 None
 1.04A 4xi3C-2gnoA:
undetectable		 4xi3C-2gnoA:
21.57
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) 		4 LEU A 268
ASP A 273
GLU A 275
HIS A 434
 OHT  A 500 (-4.1A)
OHT  A 500 (-3.1A)
OHT  A 500 (-2.6A)
OHT  A 500 ( 4.7A)
 0.58A 4xi3C-2gpvA:
26.3		 4xi3C-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.
2hig 6-PHOSPHO-1-FRUCTOKI
NASE

(Trypanosoma
brucei) 		PF00365
(PFK) 		4 LEU A 232
ASP A 229
ILE A 415
PRO A 110
 None
 1.08A 4xi3C-2higA:
undetectable		 4xi3C-2higA:
20.08
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
GLU A 353
ILE A 424
HIS A 524
 EST  A 596 (-4.4A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.7A)
EST  A 596 (-4.2A)
 0.66A 4xi3C-2ocfA:
31.7		 4xi3C-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.
2pq0 HYPOTHETICAL
CONSERVED PROTEIN
GK1056

(Geobacillus
kaustophilus) 		PF08282
(Hydrolase_3) 		4 LEU A 148
ASP A 176
ILE A 113
HIS A 116
 None
 0.94A 4xi3C-2pq0A:
undetectable		 4xi3C-2pq0A:
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.
2q66 POLY(A) POLYMERASE

(Saccharomyces
cerevisiae) 		PF01909
(NTP_transf_2)
PF04926
(PAP_RNA-bind)
PF04928
(PAP_central) 		4 LEU A  58
GLU A  65
ILE A 144
PRO A 108
 None
 0.96A 4xi3C-2q66A:
undetectable		 4xi3C-2q66A:
20.24
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.
2vzb PUTATIVE
BACTERIOFERRITIN-REL
ATED PROTEIN

(Bacteroides
fragilis) 		PF00210
(Ferritin) 		4 LEU A  22
GLU A  29
ILE A  74
PRO A  84
 None
FE  A6204 (-1.9A)
None
None
 1.07A 4xi3C-2vzbA:
undetectable		 4xi3C-2vzbA:
23.40
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.
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 LEU A 666
ASP A 662
GLU A 637
ILE A 793
 None
 1.09A 4xi3C-2wjvA:
undetectable		 4xi3C-2wjvA:
14.05
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.
2wlv GAG POLYPROTEIN

(Human
immunodeficiency
virus 2) 		PF00607
(Gag_p24) 		4 ASP B  80
GLU B  78
ILE B 133
PRO B  97
 None
 0.97A 4xi3C-2wlvB:
undetectable		 4xi3C-2wlvB:
21.07
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.
2wn4 ADP-RIBOSYLTRANSFERA
SE ENZYMATIC
COMPONENT

(Clostridioides
difficile) 		PF03496
(ADPrib_exo_Tox) 		4 LEU A 185
GLU A 187
ILE A  34
PRO A 168
 None
 1.03A 4xi3C-2wn4A:
undetectable		 4xi3C-2wn4A:
20.72
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.
2xwu IMPORTIN13

(Homo sapiens) 		PF03810
(IBN_N)
PF08389
(Xpo1) 		4 LEU B 598
GLU B 605
ILE B 614
PRO B 674
 None
 0.97A 4xi3C-2xwuB:
undetectable		 4xi3C-2xwuB:
13.87
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.
2yvl HYPOTHETICAL PROTEIN

(Aquifex
aeolicus) 		PF08704
(GCD14) 		4 LEU A 189
GLU A  97
ILE A 215
PRO A 185
 None
 0.98A 4xi3C-2yvlA:
undetectable		 4xi3C-2yvlA:
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.
3axs PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1

(Aquifex
aeolicus) 		PF02005
(TRM) 		4 LEU A  38
ASP A 130
HIS A 217
PRO A 133
 None
 0.97A 4xi3C-3axsA:
undetectable		 4xi3C-3axsA:
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 LEU B  21
GLU A  28
ILE A  59
PRO B 159
 None
O  A 608 ( 3.1A)
None
F4S  B 301 ( 4.8A)
 0.99A 4xi3C-3ayxB:
undetectable		 4xi3C-3ayxB:
18.04
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.
3d43 SPHERICASE

(Lysinibacillus
sphaericus) 		PF00082
(Peptidase_S8) 		4 LEU A 105
ASP A  53
ILE A 149
PRO A  60
 None
 1.10A 4xi3C-3d43A:
undetectable		 4xi3C-3d43A:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d45 POLY(A)-SPECIFIC
RIBONUCLEASE PARN

(Mus musculus) 		PF01424
(R3H)
PF04857
(CAF1)
PF08675
(RNA_bind) 		4 LEU A 478
ASP A 438
ILE A 466
PRO A 435
 None
 1.08A 4xi3C-3d45A:
undetectable		 4xi3C-3d45A:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e7o MITOGEN-ACTIVATED
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 165
ASP A 162
ILE A  85
HIS A  82
 None
 1.10A 4xi3C-3e7oA:
undetectable		 4xi3C-3e7oA:
19.34
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		4 LEU A 554
ASP A 654
ILE A 526
PRO A 643
 None
 1.01A 4xi3C-3eqnA:
undetectable		 4xi3C-3eqnA:
15.21
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.
3eua PUTATIVE
FRUCTOSE-AMINOACID-6
-PHOSPHATE DEGLYCASE

(Bacillus
subtilis) 		PF01380
(SIS) 		4 LEU A 249
ASP A 252
ILE A 246
PRO A  41
 None
 0.81A 4xi3C-3euaA:
undetectable		 4xi3C-3euaA:
21.69
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.
3heo MYOGLOBIN

(Equus caballus) 		PF00042
(Globin) 		4 LEU A   2
ASP A   4
ILE A  75
HIS A  82
 None
 0.84A 4xi3C-3heoA:
undetectable		 4xi3C-3heoA:
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.
3hgq HDA1 COMPLEX SUBUNIT
3

(Saccharomyces
cerevisiae) 		PF11496
(HDA2-3) 		4 LEU A 125
GLU A 300
ILE A 287
PRO A 234
 None
 0.96A 4xi3C-3hgqA:
undetectable		 4xi3C-3hgqA:
22.87
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.
3icq EXPORTIN-T

(Schizosaccharomyces
pombe) 		PF08389
(Xpo1) 		4 ASP T 399
GLU T 406
ILE T 458
HIS T 504
 None
 0.91A 4xi3C-3icqT:
undetectable		 4xi3C-3icqT:
13.92
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.
3jv9 TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Neisseria
meningitidis) 		PF03466
(LysR_substrate) 		4 LEU A 160
ASP A 162
GLU A 163
ILE A 144
 None
 0.97A 4xi3C-3jv9A:
undetectable		 4xi3C-3jv9A:
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.
3ksc LEGA CLASS

(Pisum sativum) 		PF00190
(Cupin_1) 		4 LEU A  48
ASP A  21
GLU A  32
ILE A 383
 None
 1.09A 4xi3C-3kscA:
undetectable		 4xi3C-3kscA:
18.84
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.
3kyl TELOMERASE REVERSE
TRANSCRIPTASE

(Tribolium
castaneum) 		PF00078
(RVT_1)
PF12009
(Telomerase_RBD) 		4 LEU A 404
ASP A 469
GLU A 452
ILE A 387
 None
 1.08A 4xi3C-3kylA:
undetectable		 4xi3C-3kylA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyb POLY(A) RNA
POLYMERASE PROTEIN 2
PROTEIN AIR2

(Saccharomyces
cerevisiae) 		PF00098
(zf-CCHC)
PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		4 ASP B 189
GLU A 381
ILE A 175
HIS A 462
 None
 1.10A 4xi3C-3nybB:
undetectable		 4xi3C-3nybB:
14.09
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.
3oaa ATP SYNTHASE SUBUNIT
BETA

(Escherichia
coli) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 ASP D  70
GLU D  30
ILE D 109
HIS D 110
 None
 0.98A 4xi3C-3oaaD:
undetectable		 4xi3C-3oaaD:
20.48
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.
3onm TRANSCRIPTIONAL
REGULATOR LRHA

(Yersinia
pseudotuberculosis) 		PF03466
(LysR_substrate) 		4 LEU A 114
ASP A 108
ILE A 102
PRO A 138
 None
 1.00A 4xi3C-3onmA:
undetectable		 4xi3C-3onmA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p41 GERANYLTRANSTRANSFER
ASE

(Pseudomonas
protegens) 		PF00348
(polyprenyl_synt) 		4 GLU A  33
ILE A 110
HIS A  82
PRO A  98
 None
 1.03A 4xi3C-3p41A:
undetectable		 4xi3C-3p41A:
26.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qqc DNA-DIRECTED RNA
POLYMERASE SUBUNIT
B, DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A', DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''

(Pyrococcus
furiosus) 		PF04560
(RNA_pol_Rpb2_7)
PF04997
(RNA_pol_Rpb1_1) 		4 LEU A 169
ASP A 171
GLU A 172
ILE A 194
 None
 1.03A 4xi3C-3qqcA:
1.2		 4xi3C-3qqcA:
18.85
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		4 LEU A  31
ASP A 365
GLU A 368
ILE A 162
 None
None
FB6  A 414 ( 3.9A)
None
 0.95A 4xi3C-3sl1A:
undetectable		 4xi3C-3sl1A:
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.
3va1 MEDIATOR OF DNA
DAMAGE CHECKPOINT
PROTEIN 1

(Mus musculus) 		PF00498
(FHA) 		4 LEU A 122
ILE A  71
HIS A  75
PRO A  87
 None
 1.09A 4xi3C-3va1A:
undetectable		 4xi3C-3va1A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w3a V-TYPE ATP SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 LEU D 257
ASP D 259
ILE D 332
PRO D 317
 None
 1.00A 4xi3C-3w3aD:
undetectable		 4xi3C-3w3aD:
19.20
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.
3wfj 2-DEHYDROPANTOATE
2-REDUCTASE

(Enterococcus
faecium) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 ASP A 264
GLU A 306
ILE A 107
PRO A 259
 None
 0.98A 4xi3C-3wfjA:
undetectable		 4xi3C-3wfjA:
24.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 LEU A 248
ASP A 279
GLU A 251
ILE A  78
 None
 1.09A 4xi3C-3wsvA:
undetectable		 4xi3C-3wsvA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x1l CRISPR SYSTEM CMR
SUBUNIT CMR2

(Pyrococcus
furiosus) 		PF12469
(DUF3692) 		4 LEU A 274
GLU A 267
ILE A 224
PRO A 639
 None
 0.97A 4xi3C-3x1lA:
undetectable		 4xi3C-3x1lA:
17.11
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		4 ASP B  91
GLU B  92
ILE B 441
HIS B  82
 None
None
FE2  B 502 (-4.6A)
FCO  B 500 (-4.3A)
 1.03A 4xi3C-3ze7B:
undetectable		 4xi3C-3ze7B:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zhp CALCIUM-BINDING
PROTEIN 39-LIKE

(Homo sapiens) 		PF08569
(Mo25) 		4 LEU A 191
ASP A 238
GLU A 234
ILE A 150
 None
 1.09A 4xi3C-3zhpA:
undetectable		 4xi3C-3zhpA:
23.19
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.
4a7l MYOSIN IE HEAVY
CHAIN

(Dictyostelium
discoideum) 		PF00063
(Myosin_head) 		4 ASP C 341
GLU C 283
ILE C 279
PRO C 339
 None
 1.04A 4xi3C-4a7lC:
undetectable		 4xi3C-4a7lC:
16.29
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.
4aib ORNITHINE
DECARBOXYLASE

(Entamoeba
histolytica) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 ASP A 162
GLU A 164
ILE A 120
HIS A 183
 None
 1.04A 4xi3C-4aibA:
undetectable		 4xi3C-4aibA:
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.
4akx EXOU

(Pseudomonas
aeruginosa) 		PF01734
(Patatin) 		4 LEU B 269
ASP B 306
GLU B 308
ILE B 239
 None
 1.07A 4xi3C-4akxB:
undetectable		 4xi3C-4akxB:
16.69
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 LEU A 656
GLU A 653
ILE A 670
PRO A 444
 None
 1.03A 4xi3C-4b3iA:
undetectable		 4xi3C-4b3iA:
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.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 LEU A  44
ASP A 591
ILE A   8
PRO A 628
 None
 1.08A 4xi3C-4bp8A:
undetectable		 4xi3C-4bp8A:
17.00
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.
4esw PYRIMIDINE
BIOSYNTHESIS ENZYME
THI13

(Candida
albicans) 		PF09084
(NMT1) 		4 LEU A 185
ASP A 188
ILE A 149
PRO A  87
 None
 0.99A 4xi3C-4eswA:
undetectable		 4xi3C-4eswA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gpn 6-PHOSPHO-BETA-D-GLU
COSIDASE

(Streptococcus
mutans) 		PF00232
(Glyco_hydro_1) 		4 ASP A  34
GLU A 132
HIS A  67
PRO A  58
 None
 0.99A 4xi3C-4gpnA:
undetectable		 4xi3C-4gpnA:
18.50
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.
4h5i GUANINE
NUCLEOTIDE-EXCHANGE
FACTOR SEC12

(Saccharomyces
cerevisiae) 		no annotation 4 LEU A 338
ASP A 320
ILE A 290
HIS A 334
 None
 1.08A 4xi3C-4h5iA:
undetectable		 4xi3C-4h5iA:
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.
4h7n ALDEHYDE
DEHYDROGENASE

(Trichormus
variabilis) 		PF00171
(Aldedh) 		4 LEU A 264
GLU A 361
ILE A 413
PRO A 368
 None
 0.86A 4xi3C-4h7nA:
undetectable		 4xi3C-4h7nA:
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.
4i83 3-HYDROXYACYL-[ACYL-
CARRIER-PROTEIN]
DEHYDRATASE FABZ

(Neisseria
meningitidis) 		PF07977
(FabA) 		4 LEU A  76
GLU A  81
ILE A 142
PRO A  17
 None
 0.96A 4xi3C-4i83A:
undetectable		 4xi3C-4i83A:
18.81
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.
4ifq NUCLEOPORIN NUP192

(Saccharomyces
cerevisiae) 		PF11894
(Nup192) 		4 LEU A 450
ASP A 455
GLU A 457
ILE A 511
 None
 0.78A 4xi3C-4ifqA:
undetectable		 4xi3C-4ifqA:
13.30
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.
4j2f GLUTATHIONE
S-TRANSFERASE

(Ricinus
communis) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 LEU A  71
GLU A  66
ILE A  20
PRO A  63
 None
 0.98A 4xi3C-4j2fA:
undetectable		 4xi3C-4j2fA:
22.05
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.
4knh NUP192P

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		4 LEU A 886
GLU A 888
HIS A 831
PRO A 896
 None
 1.04A 4xi3C-4knhA:
undetectable		 4xi3C-4knhA:
12.67
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.
4l4q S-ADENOSYLMETHIONINE
SYNTHASE

(Thermococcus
kodakarensis) 		PF01941
(AdoMet_Synthase) 		4 LEU A 172
GLU A 341
ILE A 178
HIS A 250
 None
 0.98A 4xi3C-4l4qA:
undetectable		 4xi3C-4l4qA:
19.80
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.
4m0m PUTATIVE
UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 LEU A 434
ASP A 429
ILE A 441
PRO A 425
 None
 0.99A 4xi3C-4m0mA:
undetectable		 4xi3C-4m0mA:
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.
4o27 CALCIUM-BINDING
PROTEIN 39

(Homo sapiens) 		PF08569
(Mo25) 		4 LEU A 192
ASP A 239
GLU A 235
ILE A 151
 None
 0.95A 4xi3C-4o27A:
undetectable		 4xi3C-4o27A:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qsg GAS VESICLE PROTEIN

(Microcystis
aeruginosa) 		PF06386
(GvpL_GvpF) 		4 ASP A 195
GLU A 125
ILE A 219
PRO A 191
 None
 0.81A 4xi3C-4qsgA:
undetectable		 4xi3C-4qsgA:
22.50
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.
4r7r PUTATIVE LIPOPROTEIN

(Clostridium
perfringens) 		PF16224
(DUF4883) 		4 ASP A  26
GLU A  32
ILE A  42
PRO A  65
 None
 1.06A 4xi3C-4r7rA:
undetectable		 4xi3C-4r7rA:
19.66
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.
4r7r PUTATIVE LIPOPROTEIN

(Clostridium
perfringens) 		PF16224
(DUF4883) 		4 ASP A  26
GLU A  32
ILE A  43
PRO A  65
 None
 1.04A 4xi3C-4r7rA:
undetectable		 4xi3C-4r7rA:
19.66
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ASP A  40
GLU A  36
ILE A 155
PRO A  47
 None
FAD  A 700 (-2.7A)
None
None
 1.01A 4xi3C-4udrA:
undetectable		 4xi3C-4udrA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 LEU A 215
GLU A  36
ILE A 155
PRO A  47
 None
FAD  A 700 (-2.7A)
None
None
 1.10A 4xi3C-4udrA:
undetectable		 4xi3C-4udrA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uds MBDR REGULATOR

(Azoarcus sp.
CIB) 		PF00440
(TetR_N) 		4 LEU A  67
GLU A  69
ILE A 115
PRO A  77
 None
 0.82A 4xi3C-4udsA:
undetectable		 4xi3C-4udsA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xr7 PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN3

(Saccharomyces
cerevisiae) 		no annotation 4 LEU L 483
GLU L 481
ILE L 441
PRO L 499
 None
 0.96A 4xi3C-4xr7L:
undetectable		 4xi3C-4xr7L:
18.24
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.
4y0m OXYR

(Pseudomonas
aeruginosa) 		PF03466
(LysR_substrate) 		4 LEU A 160
ASP A 162
GLU A 163
ILE A 144
 None
 1.06A 4xi3C-4y0mA:
undetectable		 4xi3C-4y0mA:
21.40
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.
5eyk AURORA KINASE B-A

(Xenopus laevis) 		PF00069
(Pkinase) 		4 LEU A 278
ILE A 232
HIS A 214
PRO A 333
 None
 1.10A 4xi3C-5eykA:
undetectable		 4xi3C-5eykA:
23.49
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.
5fmg PROTEASOME SUBUNIT
ALPHA TYPE 2,
PUTATIVE

(Plasmodium
falciparum) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 LEU B  87
ASP B  82
ILE B  72
PRO B 151
 None
 0.86A 4xi3C-5fmgB:
undetectable		 4xi3C-5fmgB:
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.
5gs0 LIGHT CHAIN
(ANTI-TLR3)
TOLL-LIKE RECEPTOR 3

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 164
GLU A 190
ILE A 135
PRO C  93
 None
 0.91A 4xi3C-5gs0A:
undetectable		 4xi3C-5gs0A:
18.02
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.
5gwt 4-HYDROXYISOLECUINE
DEHYDROGENASE

(Bacillus
thuringiensis) 		no annotation 4 LEU A  67
ASP A  72
GLU A  74
ILE A   9
 None
 1.06A 4xi3C-5gwtA:
undetectable		 4xi3C-5gwtA:
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		4 LEU A 183
ASP A 178
ILE A 255
PRO A 217
 None
 1.08A 4xi3C-5habA:
undetectable		 4xi3C-5habA:
19.70
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.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		4 LEU B 886
GLU B 888
HIS B 831
PRO B 896
 None
 0.90A 4xi3C-5hb4B:
undetectable		 4xi3C-5hb4B:
10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m42 PROLINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF01619
(Pro_dh) 		4 LEU A 100
ASP A 106
GLU A 109
ILE A 160
 None
 1.09A 4xi3C-5m42A:
undetectable		 4xi3C-5m42A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 LEU A  94
GLU A 132
ILE A 137
HIS A 103
 None
 0.91A 4xi3C-5m7rA:
undetectable		 4xi3C-5m7rA:
12.88
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.
5osn CAPSID PROTEIN

(Enterovirus E) 		PF00073
(Rhv) 		4 LEU C  52
GLU C  50
ILE C  69
PRO C  88
 None
 1.09A 4xi3C-5osnC:
undetectable		 4xi3C-5osnC:
18.32
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
GLU A 305
ILE A 376
HIS A 475
 EST  A 601 (-4.1A)
EST  A 601 (-2.4A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.4A)
 0.63A 4xi3C-5toaA:
30.7		 4xi3C-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.
5tw1 DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycolicibacterium
smegmatis) 		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)
PF10385
(RNA_pol_Rpb2_45) 		4 LEU C 190
ASP C 179
GLU C 180
ILE C 248
 None
 1.09A 4xi3C-5tw1C:
undetectable		 4xi3C-5tw1C:
11.97
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.
5uhk O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		4 LEU A  94
GLU A 132
ILE A 137
HIS A 103
 None
 0.89A 4xi3C-5uhkA:
undetectable		 4xi3C-5uhkA:
19.60
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.
5vba LYSOZYME, ESX-1
SECRETION-ASSOCIATED
PROTEIN ESPG1
CHIMERA

(Escherichia
virus T4;
Mycobacterium
kansasii) 		PF00959
(Phage_lysozyme)
PF14011
(ESX-1_EspG) 		4 LEU A  29
ASP A  86
ILE A  23
PRO A  91
 None
 1.01A 4xi3C-5vbaA:
undetectable		 4xi3C-5vbaA:
21.31
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC23A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 GLU A 694
ILE A 647
HIS A 660
PRO A 703
 None
 0.91A 4xi3C-5vniA:
undetectable		 4xi3C-5vniA:
14.21
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.
5vvo PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 LEU A  94
GLU A 132
ILE A 137
HIS A 103
 None
 0.96A 4xi3C-5vvoA:
undetectable		 4xi3C-5vvoA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xb7 BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		no annotation 4 LEU A 391
ASP A 384
GLU A 381
ILE A 693
 None
 1.05A 4xi3C-5xb7A:
undetectable		 4xi3C-5xb7A:
15.22
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.
6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1

(Homo sapiens) 		no annotation 4 LEU A 303
ASP A 323
ILE A1060
HIS A1068
 None
 1.09A 4xi3C-6f9nA:
undetectable		 4xi3C-6f9nA:
17.57
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 LEU A2347
GLU A2370
ILE A2437
PRO A2133
 NAG  A3001 ( 4.6A)
None
None
None
 1.07A 4xi3C-6fb3A:
undetectable		 4xi3C-6fb3A:
13.91