SIMILAR PATTERNS OF AMINO ACIDS FOR 4WG0_C_CHDC102

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.
1au1 INTERFERON-BETA

(Homo sapiens) 		PF00143
(Interferon) 		4 GLU A  61
LEU A  57
LEU A 102
LEU A 106
 None
 0.73A 4wg0B-1au1A:
undetectable
4wg0C-1au1A:
undetectable		 4wg0B-1au1A:
5.07
4wg0C-1au1A:
5.07
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.
1fba FRUCTOSE
1,6-BISPHOSPHATE
ALDOLASE

(Drosophila
melanogaster) 		PF00274
(Glycolytic) 		4 LYS A  98
LEU A  97
LEU A 104
LEU A  78
 None
 0.78A 4wg0B-1fbaA:
undetectable
4wg0C-1fbaA:
undetectable		 4wg0B-1fbaA:
5.58
4wg0C-1fbaA:
5.58
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.
1m9i ANNEXIN VI

(Homo sapiens) 		PF00191
(Annexin) 		4 GLU A 460
LEU A 462
LEU A 501
LEU A 489
 None
 0.79A 4wg0B-1m9iA:
undetectable
4wg0C-1m9iA:
undetectable		 4wg0B-1m9iA:
1.98
4wg0C-1m9iA:
1.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m9s INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF09479
(Flg_new)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13457
(SH3_8) 		4 LEU A 237
ASN A 261
LEU A 223
LEU A 226
 None
 0.68A 4wg0B-1m9sA:
undetectable
4wg0C-1m9sA:
undetectable		 4wg0B-1m9sA:
2.49
4wg0C-1m9sA:
2.49
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.
1nav HORMONE RECEPTOR
ALPHA 1, THRA1

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 GLU A 315
LEU A 319
LEU A 261
LEU A 374
 None
 0.75A 4wg0B-1navA:
undetectable
4wg0C-1navA:
undetectable		 4wg0B-1navA:
4.94
4wg0C-1navA:
4.94
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.
1nne DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 GLU A  83
LEU A  85
LEU A  92
LEU A  33
 None
 0.81A 4wg0B-1nneA:
undetectable
4wg0C-1nneA:
undetectable		 4wg0B-1nneA:
3.44
4wg0C-1nneA:
3.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pvh LEUKEMIA INHIBITORY
FACTOR

(Homo sapiens) 		PF01291
(LIF_OSM) 		5 GLU B  82
LYS B  79
LEU B  83
ARG B  27
LEU B  30
 None
 1.44A 4wg0B-1pvhB:
undetectable
4wg0C-1pvhB:
undetectable		 4wg0B-1pvhB:
8.33
4wg0C-1pvhB:
8.33
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.
1qi9 PROTEIN (VANADIUM
BROMOPEROXIDASE)

(Ascophyllum
nodosum) 		no annotation 4 GLU A 351
LEU A 353
LEU A 138
LEU A 134
 None
 0.68A 4wg0B-1qi9A:
undetectable
4wg0C-1qi9A:
undetectable		 4wg0B-1qi9A:
2.43
4wg0C-1qi9A:
2.43
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.
1rz6 CYTOCHROME C
PEROXIDASE

(Marinobacter
hydrocarbonoclasticus) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		4 GLU A 185
LYS A 186
LEU A 189
LEU A   3
 None
 0.75A 4wg0B-1rz6A:
undetectable
4wg0C-1rz6A:
undetectable		 4wg0B-1rz6A:
3.07
4wg0C-1rz6A:
3.07
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.
1vgg CONSERVED
HYPOTHETICAL PROTEIN
TT1634 (TTHA1091)

(Thermus
thermophilus) 		PF04008
(Adenosine_kin) 		4 GLU A  12
LEU A  14
ASN A  72
LEU A  65
 None
 0.72A 4wg0B-1vggA:
undetectable
4wg0C-1vggA:
undetectable		 4wg0B-1vggA:
5.59
4wg0C-1vggA:
5.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wy9 ALLOGRAFT
INFLAMMATORY FACTOR
1

(Mus musculus) 		no annotation 4 LEU A  47
LEU A 107
ARG A 108
LEU A 111
 None
 0.63A 4wg0B-1wy9A:
undetectable
4wg0C-1wy9A:
undetectable		 4wg0B-1wy9A:
6.09
4wg0C-1wy9A:
6.09
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.
1x9n DNA LIGASE I

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 GLU A 843
LEU A 757
LEU A 870
LEU A 849
 None
 0.56A 4wg0B-1x9nA:
undetectable
4wg0C-1x9nA:
undetectable		 4wg0B-1x9nA:
2.75
4wg0C-1x9nA:
2.75
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.
1xap RETINOIC ACID
RECEPTOR BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 GLU A 318
LEU A 322
LEU A 264
LEU A 377
 None
 0.80A 4wg0B-1xapA:
undetectable
4wg0C-1xapA:
undetectable		 4wg0B-1xapA:
5.65
4wg0C-1xapA:
5.65
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.
1xdk RETINOIC ACID
RECEPTOR, BETA

(Mus musculus) 		PF00104
(Hormone_recep) 		4 GLU B 318
LEU B 322
LEU B 264
LEU B 377
 None
 0.80A 4wg0B-1xdkB:
undetectable
4wg0C-1xdkB:
undetectable		 4wg0B-1xdkB:
5.60
4wg0C-1xdkB:
5.60
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.
1xwi SKD1 PROTEIN

(Homo sapiens) 		PF00004
(AAA)
PF09336
(Vps4_C) 		4 GLU A 148
LYS A 147
LEU A 146
LEU A 183
 None
 0.76A 4wg0B-1xwiA:
undetectable
4wg0C-1xwiA:
undetectable		 4wg0B-1xwiA:
3.46
4wg0C-1xwiA:
3.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ywf PHOSPHOTYROSINE
PROTEIN PHOSPHATASE
PTPB

(Mycobacterium
tuberculosis) 		PF13350
(Y_phosphatase3) 		5 GLU A   5
LEU A   6
LEU A  36
ARG A  68
LEU A  33
 None
 1.28A 4wg0B-1ywfA:
undetectable
4wg0C-1ywfA:
undetectable		 4wg0B-1ywfA:
4.90
4wg0C-1ywfA:
4.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2au3 DNA PRIMASE

(Aquifex
aeolicus) 		PF01807
(zf-CHC2)
PF08275
(Toprim_N)
PF13155
(Toprim_2) 		4 GLU A 158
LYS A 157
LEU A 156
LEU A 171
 None
 0.81A 4wg0B-2au3A:
undetectable
4wg0C-2au3A:
undetectable		 4wg0B-2au3A:
2.46
4wg0C-2au3A:
2.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c1u DI-HAEM CYTOCHROME C
PEROXIDASE

(Paracoccus
pantotrophus) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 GLU A 199
LYS A 200
LEU A 203
ASN A   7
LEU A  10
 None
 0.71A 4wg0B-2c1uA:
undetectable
4wg0C-2c1uA:
undetectable		 4wg0B-2c1uA:
3.59
4wg0C-2c1uA:
3.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eg3 PROBABLE THIOSULFATE
SULFURTRANSFERASE

(Thermus
thermophilus) 		PF00581
(Rhodanese) 		4 GLU A  43
LEU A  47
LEU A 117
LEU A  84
 None
 0.58A 4wg0B-2eg3A:
undetectable
4wg0C-2eg3A:
undetectable		 4wg0B-2eg3A:
4.35
4wg0C-2eg3A:
4.35
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.
2ej9 PUTATIVE BIOTIN
LIGASE

(Methanocaldococcus
jannaschii) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		4 GLU A 168
LEU A 167
LEU A  62
LEU A  58
 None
 0.79A 4wg0B-2ej9A:
undetectable
4wg0C-2ej9A:
undetectable		 4wg0B-2ej9A:
5.65
4wg0C-2ej9A:
5.65
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.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		4 ASN A  36
LEU A  39
ARG A  40
LEU A  43
 None
 0.80A 4wg0B-2i62A:
undetectable
4wg0C-2i62A:
undetectable		 4wg0B-2i62A:
5.03
4wg0C-2i62A:
5.03
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.
2iel HYPOTHETICAL PROTEIN
TT0030

(Thermus
thermophilus) 		no annotation 4 GLU A  23
LYS A  22
LEU A  21
LEU A  67
 None
 0.66A 4wg0B-2ielA:
undetectable
4wg0C-2ielA:
undetectable		 4wg0B-2ielA:
20.69
4wg0C-2ielA:
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.
2nv0 GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Bacillus
subtilis) 		PF01174
(SNO) 		5 GLU A  63
LEU A  65
ASN A  37
LEU A  36
LEU A  42
 None
 1.22A 4wg0B-2nv0A:
undetectable
4wg0C-2nv0A:
undetectable		 4wg0B-2nv0A:
5.65
4wg0C-2nv0A:
5.65
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.
2nx2 HYPOTHETICAL PROTEIN
YPSA

(Bacillus
subtilis) 		PF06908
(DUF1273) 		4 LYS A  32
LEU A  35
LEU A  65
LEU A  72
 None
 0.81A 4wg0B-2nx2A:
undetectable
4wg0C-2nx2A:
undetectable		 4wg0B-2nx2A:
7.14
4wg0C-2nx2A:
7.14
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.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		4 LYS A 281
LEU A 284
LEU A 268
LEU A 260
 None
 0.80A 4wg0B-2q01A:
undetectable
4wg0C-2q01A:
undetectable		 4wg0B-2q01A:
2.11
4wg0C-2q01A:
2.11
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.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		4 LYS A 598
LEU A 601
LEU A 585
LEU A 581
 None
 0.78A 4wg0B-2qxlA:
undetectable
4wg0C-2qxlA:
undetectable		 4wg0B-2qxlA:
2.26
4wg0C-2qxlA:
2.26
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.
2qzp ACYLAMINO-ACID-RELEA
SING ENZYME

(Aeropyrum
pernix) 		PF00326
(Peptidase_S9) 		4 GLU A 514
LEU A 516
LEU A 539
LEU A 535
 None
 0.77A 4wg0B-2qzpA:
undetectable
4wg0C-2qzpA:
undetectable		 4wg0B-2qzpA:
5.00
4wg0C-2qzpA:
5.00
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.
2ri0 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Streptococcus
mutans) 		PF01182
(Glucosamine_iso) 		4 GLU A  22
LEU A  20
LEU A 120
LEU A  31
 None
 0.78A 4wg0B-2ri0A:
undetectable
4wg0C-2ri0A:
undetectable		 4wg0B-2ri0A:
3.51
4wg0C-2ri0A:
3.51
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.
2we8 XANTHINE
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF02625
(XdhC_CoxI)
PF13478
(XdhC_C) 		4 GLU A 319
LEU A 317
LEU A 327
LEU A 330
 None
None
None
ACT  A1368 (-4.5A)
 0.75A 4wg0B-2we8A:
undetectable
4wg0C-2we8A:
undetectable		 4wg0B-2we8A:
2.79
4wg0C-2we8A:
2.79
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.
2wqw INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		4 LEU A 237
ASN A 261
LEU A 223
LEU A 226
 None
 0.79A 4wg0B-2wqwA:
undetectable
4wg0C-2wqwA:
undetectable		 4wg0B-2wqwA:
9.00
4wg0C-2wqwA:
9.00
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.
2xes PROTEIN PAT1 HOMOLOG
1

(Homo sapiens) 		PF09770
(PAT1) 		4 GLU A 697
LEU A 693
LEU A 656
ARG A 657
 None
 0.79A 4wg0B-2xesA:
undetectable
4wg0C-2xesA:
undetectable		 4wg0B-2xesA:
9.40
4wg0C-2xesA:
9.40
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.
2y5q INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		4 LEU A 237
ASN A 261
LEU A 223
LEU A 226
 None
 0.78A 4wg0B-2y5qA:
undetectable
4wg0C-2y5qA:
undetectable		 4wg0B-2y5qA:
8.57
4wg0C-2y5qA:
8.57
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.
2z6g B-CATENIN

(Danio rerio) 		PF00514
(Arm) 		4 LEU A 369
LEU A 381
ARG A 385
LEU A 384
 None
 0.75A 4wg0B-2z6gA:
undetectable
4wg0C-2z6gA:
undetectable		 4wg0B-2z6gA:
2.52
4wg0C-2z6gA:
2.52
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.
2zg6 PUTATIVE
UNCHARACTERIZED
PROTEIN ST2620

(Sulfurisphaera
tokodaii) 		PF13419
(HAD_2) 		4 GLU A  86
LYS A  85
LEU A  84
LEU A  69
 None
 0.67A 4wg0B-2zg6A:
undetectable
4wg0C-2zg6A:
undetectable		 4wg0B-2zg6A:
5.58
4wg0C-2zg6A:
5.58
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.
2zrr MUNDTICIN KS
IMMUNITY PROTEIN

(Enterococcus
mundtii) 		PF08951
(EntA_Immun) 		4 LYS A  84
LEU A  85
LEU A  24
LEU A  41
 None
 0.76A 4wg0B-2zrrA:
undetectable
4wg0C-2zrrA:
undetectable		 4wg0B-2zrrA:
10.64
4wg0C-2zrrA:
10.64
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 GLU A  17
LYS A  18
LEU A  21
ARG A 276
 None
 0.70A 4wg0B-3abzA:
undetectable
4wg0C-3abzA:
undetectable		 4wg0B-3abzA:
1.63
4wg0C-3abzA:
1.63
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.
3bo6 HYDROPHILIC PROTEIN,
VIRA PROTEIN

(Chromobacterium
violaceum) 		PF03536
(VRP3) 		4 LEU A  33
LEU A 238
ARG A 177
LEU A 173
 None
 0.71A 4wg0B-3bo6A:
undetectable
4wg0C-3bo6A:
undetectable		 4wg0B-3bo6A:
9.24
4wg0C-3bo6A:
9.24
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.
3cc8 PUTATIVE
METHYLTRANSFERASE

(Bacillus cereus) 		PF13489
(Methyltransf_23) 		4 ASN A 165
LEU A 168
ARG A 169
LEU A 172
 None
 0.71A 4wg0B-3cc8A:
undetectable
4wg0C-3cc8A:
undetectable		 4wg0B-3cc8A:
7.07
4wg0C-3cc8A:
7.07
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.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 GLU A 421
LEU A 420
LEU A 458
LEU A 454
 None
 0.73A 4wg0B-3ciaA:
undetectable
4wg0C-3ciaA:
undetectable		 4wg0B-3ciaA:
2.29
4wg0C-3ciaA:
2.29
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.
3ddm PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A 242
LEU A 246
LEU A 254
LEU A 230
 None
 0.80A 4wg0B-3ddmA:
undetectable
4wg0C-3ddmA:
undetectable		 4wg0B-3ddmA:
3.24
4wg0C-3ddmA:
3.24
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.
3e0s UNCHARACTERIZED
PROTEIN

(Chlorobaculum
tepidum) 		PF05235
(CHAD) 		4 GLU A 406
LEU A 410
LEU A 447
LEU A 443
 None
 0.79A 4wg0B-3e0sA:
undetectable
4wg0C-3e0sA:
undetectable		 4wg0B-3e0sA:
4.29
4wg0C-3e0sA:
4.29
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.
3h2u RAVER-1

(Homo sapiens) 		PF00076
(RRM_1) 		5 GLU B 150
LEU B 151
LEU B 139
ARG B 201
LEU B 203
 None
 1.30A 4wg0B-3h2uB:
undetectable
4wg0C-3h2uB:
undetectable		 4wg0B-3h2uB:
6.03
4wg0C-3h2uB:
6.03
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.
3hxt 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE

(Homo sapiens) 		PF01812
(5-FTHF_cyc-lig) 		4 LYS A  10
LEU A  13
LEU A 146
ARG A 145
 None
None
None
NI  A 209 (-3.2A)
 0.76A 4wg0B-3hxtA:
undetectable
4wg0C-3hxtA:
undetectable		 4wg0B-3hxtA:
5.67
4wg0C-3hxtA:
5.67
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.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 GLU A  60
LEU A 315
ARG A 407
LEU A 317
 None
 0.78A 4wg0B-3ialA:
undetectable
4wg0C-3ialA:
undetectable		 4wg0B-3ialA:
2.49
4wg0C-3ialA:
2.49
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.
3jcm U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 GLU B  50
LEU B  54
LEU B  76
LEU B  80
 None
 0.76A 4wg0B-3jcmB:
undetectable
4wg0C-3jcmB:
undetectable		 4wg0B-3jcmB:
2.40
4wg0C-3jcmB:
2.40
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.
3kwp PREDICTED
METHYLTRANSFERASE

(Lactobacillus
brevis) 		PF00590
(TP_methylase) 		4 GLU A 205
LEU A 195
LEU A 176
LEU A 180
 None
 0.77A 4wg0B-3kwpA:
undetectable
4wg0C-3kwpA:
undetectable		 4wg0B-3kwpA:
6.41
4wg0C-3kwpA:
6.41
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.
3lca PROTEIN TOM71

(Saccharomyces
cerevisiae) 		PF00515
(TPR_1)
PF13181
(TPR_8)
PF14559
(TPR_19) 		4 GLU A 342
LEU A 346
LEU A 298
LEU A 302
 None
 0.63A 4wg0B-3lcaA:
undetectable
4wg0C-3lcaA:
undetectable		 4wg0B-3lcaA:
4.32
4wg0C-3lcaA:
4.32
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.
3mpx FYVE, RHOGEF AND PH
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF00169
(PH)
PF00621
(RhoGEF) 		4 LEU A1004
LEU A 942
ARG A 943
LEU A 946
 None
 0.76A 4wg0B-3mpxA:
undetectable
4wg0C-3mpxA:
undetectable		 4wg0B-3mpxA:
2.53
4wg0C-3mpxA:
2.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nep MALATE DEHYDROGENASE

(Salinibacter
ruber) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 GLU X 311
LYS X 312
LEU X 315
LEU X 282
 None
 0.64A 4wg0B-3nepX:
undetectable
4wg0C-3nepX:
undetectable		 4wg0B-3nepX:
4.96
4wg0C-3nepX:
4.96
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.
3nyq MALONYL-COA LIGASE

(Streptomyces
coelicolor) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A 139
LEU A 160
ARG A 200
LEU A 196
 None
 0.78A 4wg0B-3nyqA:
undetectable
4wg0C-3nyqA:
undetectable		 4wg0B-3nyqA:
2.18
4wg0C-3nyqA:
2.18
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.
3odx RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		4 GLU A 586
LYS A 587
LEU A 590
LEU A 497
 None
 0.65A 4wg0B-3odxA:
undetectable
4wg0C-3odxA:
undetectable		 4wg0B-3odxA:
4.15
4wg0C-3odxA:
4.15
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.
3oyr TRANS-ISOPRENYL
DIPHOSPHATE SYNTHASE

(Caulobacter
vibrioides) 		PF00348
(polyprenyl_synt) 		4 LEU A 175
ASN A 213
LEU A 216
LEU A 220
 None
 0.66A 4wg0B-3oyrA:
undetectable
4wg0C-3oyrA:
undetectable		 4wg0B-3oyrA:
3.54
4wg0C-3oyrA:
3.54
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.
3p52 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Campylobacter
jejuni) 		PF02540
(NAD_synthase) 		4 GLU A 161
LEU A 165
LEU A  38
LEU A  42
 None
 0.56A 4wg0B-3p52A:
undetectable
4wg0C-3p52A:
undetectable		 4wg0B-3p52A:
5.04
4wg0C-3p52A:
5.04
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.
3pmk NUCLEOCAPSID PROTEIN

(Recombinant
vesicular
stomatitis
Indiana virus
rVSV-G/GFP) 		PF00945
(Rhabdo_ncap) 		4 LEU A 139
ASN A  70
LEU A  73
LEU A  77
 None
 0.63A 4wg0B-3pmkA:
undetectable
4wg0C-3pmkA:
undetectable		 4wg0B-3pmkA:
15.71
4wg0C-3pmkA:
15.71
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.
3qbo PHOSPHOSERINE
AMINOTRANSFERASE

(Yersinia pestis) 		PF00266
(Aminotran_5) 		4 GLU A 257
LYS A 256
LEU A 255
LEU A  60
 None
 0.79A 4wg0B-3qboA:
undetectable
4wg0C-3qboA:
undetectable		 4wg0B-3qboA:
3.38
4wg0C-3qboA:
3.38
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.
3vjj P9-1

(Rice black
streaked dwarf
virus) 		PF06043
(Reo_P9) 		4 LEU A 274
LEU A 285
ARG A 286
LEU A 289
 None
 0.71A 4wg0B-3vjjA:
undetectable
4wg0C-3vjjA:
undetectable		 4wg0B-3vjjA:
8.53
4wg0C-3vjjA:
8.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLU A 320
LEU A 303
LEU A 289
ARG A 290
 None
 0.80A 4wg0B-3vnsA:
undetectable
4wg0C-3vnsA:
undetectable		 4wg0B-3vnsA:
2.70
4wg0C-3vnsA:
2.70
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.
3zdn MONOAMINE OXIDASE N

(Aspergillus
niger) 		PF01593
(Amino_oxidase) 		4 LEU A 210
LEU A 149
ARG A 150
LEU A 153
 None
 0.80A 4wg0B-3zdnA:
undetectable
4wg0C-3zdnA:
undetectable		 4wg0B-3zdnA:
5.14
4wg0C-3zdnA:
5.14
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 LEU A 124
ASN A 133
LEU A 136
LEU A 140
 None
 0.68A 4wg0B-3zu0A:
undetectable
4wg0C-3zu0A:
undetectable		 4wg0B-3zu0A:
3.41
4wg0C-3zu0A:
3.41
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.
4aco CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
A

(Saccharomyces
cerevisiae) 		PF16787
(NDC10_II) 		5 LEU A 272
ASN A 225
LEU A 224
ARG A 221
LEU A 220
 None
 1.24A 4wg0B-4acoA:
undetectable
4wg0C-4acoA:
undetectable		 4wg0B-4acoA:
1.56
4wg0C-4acoA:
1.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4db1 MYOSIN-7

(Homo sapiens) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 LYS A 106
LEU A 105
ASN A 686
LEU A 693
 None
 0.77A 4wg0B-4db1A:
undetectable
4wg0C-4db1A:
undetectable		 4wg0B-4db1A:
2.17
4wg0C-4db1A:
2.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fwi ABC-TYPE
DIPEPTIDE/OLIGOPEPTI
DE/NICKEL TRANSPORT
SYSTEM, ATPASE
COMPONENT

(Caldanaerobacter
subterraneus) 		PF00005
(ABC_tran)
PF08352
(oligo_HPY) 		4 GLU B 199
LYS B 198
LEU B 197
LEU B 221
 None
 0.77A 4wg0B-4fwiB:
undetectable
4wg0C-4fwiB:
undetectable		 4wg0B-4fwiB:
4.15
4wg0C-4fwiB:
4.15
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.
4h43 27.5 KDA VIRULENCE
PROTEIN

(Salmonella
enterica) 		PF03536
(VRP3) 		4 LEU A  33
LEU A 238
ARG A 177
LEU A 173
 None
 0.72A 4wg0B-4h43A:
undetectable
4wg0C-4h43A:
undetectable		 4wg0B-4h43A:
8.57
4wg0C-4h43A:
8.57
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.
4ncj DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		4 GLU A 796
LEU A 800
LEU A 147
LEU A 778
 None
 0.75A 4wg0B-4ncjA:
undetectable
4wg0C-4ncjA:
undetectable		 4wg0B-4ncjA:
4.08
4wg0C-4ncjA:
4.08
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.
4o1o RIBONUCLEASE L

(Sus scrofa) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
PF12796
(Ank_2)
PF13857
(Ank_5) 		4 GLU A 258
LEU A 256
ASN A 249
LEU A 208
 None
 0.73A 4wg0B-4o1oA:
undetectable
4wg0C-4o1oA:
undetectable		 4wg0B-4o1oA:
2.62
4wg0C-4o1oA:
2.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oou BETA-1,4-MANNANASE

(Cryptopygus
antarcticus) 		no annotation 4 GLU B 177
LEU B 129
LEU B 173
LEU B 117
 None
 0.75A 4wg0B-4oouB:
undetectable
4wg0C-4oouB:
undetectable		 4wg0B-4oouB:
3.83
4wg0C-4oouB:
3.83
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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		4 LYS A 106
LEU A 105
ASN A 686
LEU A 693
 None
 0.72A 4wg0B-4p7hA:
undetectable
4wg0C-4p7hA:
undetectable		 4wg0B-4p7hA:
1.20
4wg0C-4p7hA:
1.20
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.
4pjs PENTATRICOPEPTIDE
REPEAT PROTEIN

(unidentified) 		PF13041
(PPR_2) 		4 GLU A  97
LEU A  93
LEU A 114
LEU A 118
 None
 0.57A 4wg0B-4pjsA:
undetectable
4wg0C-4pjsA:
undetectable		 4wg0B-4pjsA:
5.06
4wg0C-4pjsA:
5.06
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.
4pjs PENTATRICOPEPTIDE
REPEAT PROTEIN

(unidentified) 		PF13041
(PPR_2) 		4 GLU A 167
LEU A 163
LEU A 184
LEU A 188
 None
 0.80A 4wg0B-4pjsA:
undetectable
4wg0C-4pjsA:
undetectable		 4wg0B-4pjsA:
5.06
4wg0C-4pjsA:
5.06
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.
4qmi CYTOSKELETON-ASSOCIA
TED PROTEIN 5

(Homo sapiens) 		PF12348
(CLASP_N) 		4 LYS A 906
LEU A 905
ASN A 941
LEU A 942
 None
 0.71A 4wg0B-4qmiA:
undetectable
4wg0C-4qmiA:
undetectable		 4wg0B-4qmiA:
5.29
4wg0C-4qmiA:
5.29
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.
4uek GALACTITOL-1-PHOSPHA
TE 5-DEHYDROGENASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLU A 196
LYS A 197
LEU A 200
LEU A 174
 None
 0.73A 4wg0B-4uekA:
undetectable
4wg0C-4uekA:
undetectable		 4wg0B-4uekA:
3.00
4wg0C-4uekA:
3.00
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.
4uvk ZYRO0D15994P

(Zygosaccharomyces
rouxii) 		PF08514
(STAG) 		4 LEU A 213
LEU A 123
ARG A 124
LEU A 127
 None
 0.75A 4wg0B-4uvkA:
undetectable
4wg0C-4uvkA:
undetectable		 4wg0B-4uvkA:
2.17
4wg0C-4uvkA:
2.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yx8 DSBA-LIKE PROTEIN

(Proteus
mirabilis) 		PF13462
(Thioredoxin_4) 		4 LEU A  58
ASN A 180
LEU A 183
LEU A 187
 None
 0.81A 4wg0B-4yx8A:
undetectable
4wg0C-4yx8A:
undetectable		 4wg0B-4yx8A:
5.95
4wg0C-4yx8A:
5.95
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.
4z5s ALDEHYDE
DECARBONYLASE

(Synechocystis
sp. PCC 6803) 		PF11266
(Ald_deCOase) 		5 GLU A 194
LYS A 195
LEU A 198
ASN A 182
LEU A 181
 None
 1.15A 4wg0B-4z5sA:
undetectable
4wg0C-4z5sA:
undetectable		 4wg0B-4z5sA:
9.03
4wg0C-4z5sA:
9.03
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.
5a15 BTB/POZ
DOMAIN-CONTAINING
PROTEIN KCTD16

(Homo sapiens) 		PF02214
(BTB_2) 		4 LYS A 103
LEU A 106
LEU A 122
LEU A 118
 None
 0.69A 4wg0B-5a15A:
undetectable
4wg0C-5a15A:
undetectable		 4wg0B-5a15A:
8.33
4wg0C-5a15A:
8.33
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.
5d3q DYNAMIN-1,DYNAMIN-1

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		4 LEU A  31
LEU A 296
ARG A 297
LEU A 300
 None
 0.72A 4wg0B-5d3qA:
undetectable
4wg0C-5d3qA:
undetectable		 4wg0B-5d3qA:
4.20
4wg0C-5d3qA:
4.20
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.
5dcm PHOB FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptococcus
agalactiae) 		PF00486
(Trans_reg_C) 		4 LYS A 172
LEU A 175
ASN A 192
LEU A 191
 None
 0.70A 4wg0B-5dcmA:
undetectable
4wg0C-5dcmA:
undetectable		 4wg0B-5dcmA:
4.72
4wg0C-5dcmA:
4.72
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.
5e1r 7S VICILIN

(Carya
illinoinensis) 		PF00190
(Cupin_1) 		4 LEU A 517
ASN A 522
LEU A 525
LEU A 529
 None
 0.69A 4wg0B-5e1rA:
undetectable
4wg0C-5e1rA:
undetectable		 4wg0B-5e1rA:
2.12
4wg0C-5e1rA:
2.12
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.
5e4r KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		4 GLU A  13
LEU A  12
ASN A  42
LEU A  41
 None
GOL  A 506 (-4.4A)
None
None
 0.78A 4wg0B-5e4rA:
undetectable
4wg0C-5e4rA:
undetectable		 4wg0B-5e4rA:
11.34
4wg0C-5e4rA:
11.34
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.
5eio N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE/N-ACET
YL-GAMMA-AMINOADIPYL
-PHOSPHATE REDUCTASE

(Thermus
thermophilus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 GLU A  63
LEU A  65
LEU A  90
LEU A  71
 None
 0.66A 4wg0B-5eioA:
undetectable
4wg0C-5eioA:
undetectable		 4wg0B-5eioA:
3.54
4wg0C-5eioA:
3.54
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.
5haf DEUBIQUITINASE SSEL

(Salmonella
enterica) 		no annotation 5 GLU A 310
LEU A 308
ASN A 271
LEU A 239
LEU A 228
 None
 1.36A 4wg0B-5hafA:
undetectable
4wg0C-5hafA:
undetectable		 4wg0B-5hafA:
3.62
4wg0C-5hafA:
3.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		4 LEU B1462
ASN B1292
LEU B1295
LEU B1299
 None
 0.80A 4wg0B-5hzkB:
undetectable
4wg0C-5hzkB:
undetectable		 4wg0B-5hzkB:
2.91
4wg0C-5hzkB:
2.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i9g PENTATRICOPEPTIDE
REPEAT PROTEIN
DPPR-U8C2

(unidentified) 		PF12854
(PPR_1)
PF13041
(PPR_2) 		4 GLU C 285
LEU C 281
LEU C 302
LEU C 306
 None
 0.81A 4wg0B-5i9gC:
undetectable
4wg0C-5i9gC:
undetectable		 4wg0B-5i9gC:
2.52
4wg0C-5i9gC:
2.52
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.
5ipx ORF49 PROTEIN

(Human
gammaherpesvirus
8) 		PF04793
(Herpes_BBRF1) 		4 GLU A 114
LEU A 117
LEU A  80
LEU A  84
 None
 0.80A 4wg0B-5ipxA:
undetectable
4wg0C-5ipxA:
undetectable		 4wg0B-5ipxA:
6.92
4wg0C-5ipxA:
6.92
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 LEU A 722
ASN A 959
LEU A 956
LEU A 952
 None
 0.73A 4wg0B-5j6sA:
undetectable
4wg0C-5j6sA:
undetectable		 4wg0B-5j6sA:
1.97
4wg0C-5j6sA:
1.97
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.
5jki PUTATIVE LIPID
PHOSPHATE
PHOSPHATASE YODM

(Bacillus
subtilis) 		PF01569
(PAP2) 		4 GLU A  97
LYS A  96
LEU A  95
LEU A 182
 None
WO4  A 300 (-2.2A)
None
None
 0.77A 4wg0B-5jkiA:
undetectable
4wg0C-5jkiA:
undetectable		 4wg0B-5jkiA:
5.61
4wg0C-5jkiA:
5.61
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.
5lb3 ATP-DEPENDENT DNA
HELICASE Q5

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind) 		5 GLU B 111
LEU B 112
ASN B 101
LEU B 100
LEU B 126
 None
 1.31A 4wg0B-5lb3B:
undetectable
4wg0C-5lb3B:
undetectable		 4wg0B-5lb3B:
5.06
4wg0C-5lb3B:
5.06
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.
5li4 TAIL SHEATH PROTEIN

(Staphylococcus
phage 812) 		no annotation 4 LEU A 533
ASN A 497
LEU A 500
LEU A 504
 None
 0.74A 4wg0B-5li4A:
undetectable
4wg0C-5li4A:
undetectable		 4wg0B-5li4A:
4.92
4wg0C-5li4A:
4.92
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.
5lox PEPTIDASE

(Pseudomonas
aeruginosa) 		no annotation 4 LEU A 192
LEU A 169
ARG A 170
LEU A 173
 None
 0.77A 4wg0B-5loxA:
undetectable
4wg0C-5loxA:
undetectable		 4wg0B-5loxA:
3.93
4wg0C-5loxA:
3.93
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.
5lux HOMEOBOX PROTEIN
CDX-1

(Homo sapiens) 		PF00046
(Homeobox) 		4 LEU K 169
ASN K 190
LEU K 191
LEU K 193
 None
 0.80A 4wg0B-5luxK:
undetectable
4wg0C-5luxK:
undetectable		 4wg0B-5luxK:
9.84
4wg0C-5luxK:
9.84
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 GLU A 501
LYS A 502
LEU A 505
LEU A 445
 None
 0.81A 4wg0B-5mkkA:
undetectable
4wg0C-5mkkA:
undetectable		 4wg0B-5mkkA:
3.54
4wg0C-5mkkA:
3.54
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 4 LYS A1206
LEU A1207
LEU A1177
LEU A1178
 None
 0.80A 4wg0B-5ng6A:
undetectable
4wg0C-5ng6A:
undetectable		 4wg0B-5ng6A:
2.14
4wg0C-5ng6A:
2.14
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.
5t82 REVERSE
TRANSCRIPTASE

(Human
immunodeficiency
virus 1) 		PF06817
(RVT_thumb) 		4 GLU A 305
LEU A 303
LEU A 279
LEU A 260
 None
 0.71A 4wg0B-5t82A:
undetectable
4wg0C-5t82A:
undetectable		 4wg0B-5t82A:
10.23
4wg0C-5t82A:
10.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tcb PELA

(Pseudomonas
aeruginosa) 		PF03537
(Glyco_hydro_114) 		4 GLU A  88
LYS A  87
LEU A  86
LEU A  73
 None
 0.73A 4wg0B-5tcbA:
undetectable
4wg0C-5tcbA:
undetectable		 4wg0B-5tcbA:
2.92
4wg0C-5tcbA:
2.92
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.
5u4v RHO
GTPASE-ACTIVATING
PROTEIN 5

(Homo sapiens) 		no annotation 4 LEU A 632
LEU A 750
ARG A 751
LEU A 754
 None
 0.78A 4wg0B-5u4vA:
undetectable
4wg0C-5u4vA:
undetectable		 4wg0B-5u4vA:
6.25
4wg0C-5u4vA:
6.25
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.
5uxi ALDEHYDE
DECARBONYLASE

(Nostoc
punctiforme) 		no annotation 5 GLU A 195
LYS A 196
LEU A 199
ASN A 183
LEU A 182
 None
None
DDQ  A 302 ( 4.5A)
None
None
 1.24A 4wg0B-5uxiA:
undetectable
4wg0C-5uxiA:
undetectable		 4wg0B-5uxiA:
undetectable
4wg0C-5uxiA:
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.
5w21 KLOTHO

(Homo sapiens) 		no annotation 5 LEU A 806
ASN A 857
LEU A 856
ARG A 853
LEU A 852
 None
 1.45A 4wg0B-5w21A:
undetectable
4wg0C-5w21A:
undetectable		 4wg0B-5w21A:
undetectable
4wg0C-5w21A:
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.
5y7r IRON/ALPHA-KETOGLUTA
RATE-DEPENDENT
DIOXYGENASE ASQJ

(Aspergillus
nidulans) 		no annotation 5 LEU B  39
ASN B  48
LEU B  47
ARG B 224
LEU B 226
 None
 1.50A 4wg0B-5y7rB:
undetectable
4wg0C-5y7rB:
undetectable		 4wg0B-5y7rB:
undetectable
4wg0C-5y7rB:
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.
6fsa -

(-) 		no annotation 4 LYS A 106
LEU A 105
ASN A 686
LEU A 693
 None
 0.81A 4wg0B-6fsaA:
undetectable
4wg0C-6fsaA:
undetectable		 4wg0B-6fsaA:
undetectable
4wg0C-6fsaA:
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.
6gsa -

(-) 		no annotation 5 LEU E 272
ASN E 225
LEU E 224
ARG E 221
LEU E 220
 None
 1.24A 4wg0B-6gsaE:
undetectable
4wg0C-6gsaE:
undetectable		 4wg0B-6gsaE:
undetectable
4wg0C-6gsaE:
undetectable