SIMILAR PATTERNS OF AMINO ACIDS FOR 4XI3_C_29SC601_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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