SIMILAR PATTERNS OF AMINO ACIDS FOR 4WG0_D_CHDD102

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.
1ctt CYTIDINE DEAMINASE

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		5 LEU A  52
LEU A  56
LYS A  42
LEU A  41
LEU A  33
 None
 0.98A 4wg0D-1cttA:
undetectable
4wg0E-1cttA:
undetectable
4wg0F-1cttA:
undetectable		 4wg0D-1cttA:
6.47
4wg0E-1cttA:
6.47
4wg0F-1cttA:
6.47
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.
1hw2 FATTY ACID
METABOLISM REGULATOR
PROTEIN

(Escherichia
coli) 		PF00392
(GntR)
PF07840
(FadR_C) 		5 LEU A 152
GLU A 126
ALA A 129
LEU A 128
TYR A 193
 None
 0.96A 4wg0D-1hw2A:
undetectable
4wg0E-1hw2A:
undetectable
4wg0F-1hw2A:
undetectable		 4wg0D-1hw2A:
6.57
4wg0E-1hw2A:
6.57
4wg0F-1hw2A:
6.57
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.
1lpe APOLIPOPROTEIN E3

(Homo sapiens) 		PF01442
(Apolipoprotein) 		5 ARG A  38
LEU A  37
LYS A 146
ALA A 138
LEU A 141
 None
 1.16A 4wg0D-1lpeA:
undetectable
4wg0E-1lpeA:
undetectable
4wg0F-1lpeA:
undetectable		 4wg0D-1lpeA:
6.82
4wg0E-1lpeA:
6.82
4wg0F-1lpeA:
6.82
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.
1m9s INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF09479
(Flg_new)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13457
(SH3_8) 		5 ASN A 261
LEU A 223
LEU A 226
LEU A 237
LEU A 235
 None
 0.78A 4wg0D-1m9sA:
undetectable
4wg0E-1m9sA:
undetectable
4wg0F-1m9sA:
undetectable		 4wg0D-1m9sA:
2.49
4wg0E-1m9sA:
2.49
4wg0F-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.
1oro OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Escherichia
coli) 		PF00156
(Pribosyltran) 		5 LEU A  67
LEU A  85
GLU A  55
ALA A  56
LEU A  57
 None
 1.04A 4wg0D-1oroA:
undetectable
4wg0E-1oroA:
undetectable
4wg0F-1oroA:
undetectable		 4wg0D-1oroA:
10.48
4wg0E-1oroA:
10.48
4wg0F-1oroA:
10.48
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.
1sif UBIQUITIN

(Homo sapiens) 		PF00240
(ubiquitin) 		5 LEU A  43
LEU A  67
GLU A  24
LEU A  26
LEU A  56
 None
 1.05A 4wg0D-1sifA:
undetectable
4wg0E-1sifA:
undetectable
4wg0F-1sifA:
undetectable		 4wg0D-1sifA:
12.24
4wg0E-1sifA:
12.24
4wg0F-1sifA:
12.24
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.
1sif UBIQUITIN

(Homo sapiens) 		PF00240
(ubiquitin) 		5 LEU A  43
LEU A  67
LYS A  27
LEU A  26
LEU A  56
 None
 1.13A 4wg0D-1sifA:
undetectable
4wg0E-1sifA:
undetectable
4wg0F-1sifA:
undetectable		 4wg0D-1sifA:
12.24
4wg0E-1sifA:
12.24
4wg0F-1sifA:
12.24
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.
1tx4 P50-RHOGAP

(Homo sapiens) 		PF00620
(RhoGAP) 		5 LEU A 233
LEU A 160
LEU A 226
LEU A 171
TYR A 168
 None
 0.95A 4wg0D-1tx4A:
undetectable
4wg0E-1tx4A:
undetectable
4wg0F-1tx4A:
undetectable		 4wg0D-1tx4A:
6.94
4wg0E-1tx4A:
6.94
4wg0F-1tx4A:
6.94
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.
1ujn DEHYDROQUINATE
SYNTHASE

(Thermus
thermophilus) 		PF01761
(DHQ_synthase) 		5 LEU A 192
LEU A 171
GLU A 200
ALA A 204
LEU A 203
 None
 1.06A 4wg0D-1ujnA:
undetectable
4wg0E-1ujnA:
undetectable
4wg0F-1ujnA:
undetectable		 4wg0D-1ujnA:
3.62
4wg0E-1ujnA:
3.62
4wg0F-1ujnA:
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.
1v9c PRECORRIN-8X METHYL
MUTASE

(Thermus
thermophilus) 		PF02570
(CbiC) 		5 LEU A 197
LEU A 200
LEU A 157
ALA A 154
LEU A 155
 None
 1.01A 4wg0D-1v9cA:
undetectable
4wg0E-1v9cA:
undetectable
4wg0F-1v9cA:
undetectable		 4wg0D-1v9cA:
5.80
4wg0E-1v9cA:
5.80
4wg0F-1v9cA:
5.80
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.
1w36 EXODEOXYRIBONUCLEASE
V GAMMA CHAIN

(Escherichia
coli) 		PF04257
(Exonuc_V_gamma) 		5 LEU C 460
LEU C 457
LEU C 571
ALA C 472
LEU C 473
 None
 1.11A 4wg0D-1w36C:
undetectable
4wg0E-1w36C:
undetectable
4wg0F-1w36C:
undetectable		 4wg0D-1w36C:
1.29
4wg0E-1w36C:
1.29
4wg0F-1w36C:
1.29
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.
1wmw GERANYLGERANYL
DIPHOSPHATE
SYNTHETASE

(Thermus
thermophilus) 		PF00348
(polyprenyl_synt) 		5 LEU A  42
ARG A  43
LEU A  46
GLU A 327
LEU A 322
 None
 1.07A 4wg0D-1wmwA:
undetectable
4wg0E-1wmwA:
undetectable
4wg0F-1wmwA:
undetectable		 4wg0D-1wmwA:
3.13
4wg0E-1wmwA:
3.13
4wg0F-1wmwA:
3.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wy9 ALLOGRAFT
INFLAMMATORY FACTOR
1

(Mus musculus) 		no annotation 5 LEU A 107
ARG A 108
LEU A 111
LEU A  43
TYR A  37
 None
 1.04A 4wg0D-1wy9A:
undetectable
4wg0E-1wy9A:
undetectable
4wg0F-1wy9A:
undetectable		 4wg0D-1wy9A:
6.09
4wg0E-1wy9A:
6.09
4wg0F-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.
1ym5 HYPOTHETICAL 32.6
KDA PROTEIN IN
DAP2-SLT2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF02567
(PhzC-PhzF) 		5 LEU A 166
GLU A 254
ALA A 233
LEU A 234
TYR A 237
 None
 1.04A 4wg0D-1ym5A:
undetectable
4wg0E-1ym5A:
undetectable
4wg0F-1ym5A:
undetectable		 4wg0D-1ym5A:
4.14
4wg0E-1ym5A:
4.14
4wg0F-1ym5A:
4.14
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 LEU A 827
LEU A 829
GLU A 817
ALA A 797
LEU A 796
 None
 1.02A 4wg0D-2b3xA:
undetectable
4wg0E-2b3xA:
undetectable
4wg0F-2b3xA:
undetectable		 4wg0D-2b3xA:
1.66
4wg0E-2b3xA:
1.66
4wg0F-2b3xA:
1.66
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.
2bba EPHRIN TYPE-B
RECEPTOR 4

(Homo sapiens) 		PF01404
(Ephrin_lbd) 		5 LEU A 166
LEU A 192
ALA A 177
LEU A 176
TYR A 115
 None
 1.19A 4wg0D-2bbaA:
undetectable
4wg0E-2bbaA:
undetectable
4wg0F-2bbaA:
undetectable		 4wg0D-2bbaA:
4.86
4wg0E-2bbaA:
4.86
4wg0F-2bbaA:
4.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c1u DI-HAEM CYTOCHROME C
PEROXIDASE

(Paracoccus
pantotrophus) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 ASN A   7
LEU A  10
GLU A 199
LYS A 200
LEU A 203
 None
 0.74A 4wg0D-2c1uA:
undetectable
4wg0E-2c1uA:
undetectable
4wg0F-2c1uA:
undetectable		 4wg0D-2c1uA:
3.59
4wg0E-2c1uA:
3.59
4wg0F-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.
2few PTS SYSTEM
MANNITOL-SPECIFIC
EIICBA COMPONENT

(Escherichia
coli) 		PF00359
(PTS_EIIA_2) 		5 LEU A 122
LEU A 131
GLU A 142
ALA A 145
LEU A 144
 None
 0.85A 4wg0D-2fewA:
undetectable
4wg0E-2fewA:
undetectable
4wg0F-2fewA:
undetectable		 4wg0D-2fewA:
5.41
4wg0E-2fewA:
5.41
4wg0F-2fewA:
5.41
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.
2fyl ALPHA-2-MACROGLOBULI
N
RECEPTOR-ASSOCIATED
PROTEIN

(Homo sapiens) 		PF06400
(Alpha-2-MRAP_N) 		5 LEU A  49
LEU A  45
LEU A  28
LEU A  90
TYR A  88
 None
 1.11A 4wg0D-2fylA:
undetectable
4wg0E-2fylA:
undetectable
4wg0F-2fylA:
undetectable		 4wg0D-2fylA:
12.50
4wg0E-2fylA:
12.50
4wg0F-2fylA:
12.50
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.
2h8o GERANYLTRANSTRANSFER
ASE

(Agrobacterium
fabrum) 		PF00348
(polyprenyl_synt) 		5 LEU A 100
LEU A  99
LEU A 247
ALA A 314
LEU A 313
 None
 1.12A 4wg0D-2h8oA:
undetectable
4wg0E-2h8oA:
undetectable
4wg0F-2h8oA:
undetectable		 4wg0D-2h8oA:
3.90
4wg0E-2h8oA:
3.90
4wg0F-2h8oA:
3.90
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.
2iel HYPOTHETICAL PROTEIN
TT0030

(Thermus
thermophilus) 		no annotation 5 LEU A  67
GLU A  23
LYS A  22
LEU A  21
LEU A  17
 None
 0.82A 4wg0D-2ielA:
undetectable
4wg0E-2ielA:
undetectable
4wg0F-2ielA:
undetectable		 4wg0D-2ielA:
20.69
4wg0E-2ielA:
20.69
4wg0F-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.
2in3 HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF01323
(DSBA) 		6 LEU A 199
ARG A 200
LEU A 203
LEU A 178
LEU A   8
TYR A  33
 None
 1.16A 4wg0D-2in3A:
undetectable
4wg0E-2in3A:
undetectable
4wg0F-2in3A:
undetectable		 4wg0D-2in3A:
4.78
4wg0E-2in3A:
4.78
4wg0F-2in3A:
4.78
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.
2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF01903
(CbiX) 		5 GLU A 367
LEU A 366
GLU A 375
ALA A 278
LEU A 282
 None
 1.16A 4wg0D-2jh3A:
undetectable
4wg0E-2jh3A:
undetectable
4wg0F-2jh3A:
undetectable		 4wg0D-2jh3A:
2.49
4wg0E-2jh3A:
2.49
4wg0F-2jh3A:
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.
2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF01903
(CbiX) 		5 LEU A 146
LEU A 207
LEU A 222
ALA A 229
LEU A 226
 None
 0.98A 4wg0D-2jh3A:
undetectable
4wg0E-2jh3A:
undetectable
4wg0F-2jh3A:
undetectable		 4wg0D-2jh3A:
2.49
4wg0E-2jh3A:
2.49
4wg0F-2jh3A:
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.
2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF01903
(CbiX) 		5 LEU A 297
GLU A 367
LEU A 366
GLU A 375
LEU A 282
 None
 1.08A 4wg0D-2jh3A:
undetectable
4wg0E-2jh3A:
undetectable
4wg0F-2jh3A:
undetectable		 4wg0D-2jh3A:
2.49
4wg0E-2jh3A:
2.49
4wg0F-2jh3A:
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.
2jqd ACIDIC LEUCINE-RICH
NUCLEAR
PHOSPHOPROTEIN 32
FAMILY MEMBER A

(Mus musculus) 		PF14580
(LRR_9) 		5 ASN A  89
LEU A  90
LEU A  83
LEU A  69
LEU A  60
 None
 0.95A 4wg0D-2jqdA:
undetectable
4wg0E-2jqdA:
undetectable
4wg0F-2jqdA:
undetectable		 4wg0D-2jqdA:
6.37
4wg0E-2jqdA:
6.37
4wg0F-2jqdA:
6.37
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.
2jzk CYANOVIRIN-N HOMOLOG

(Tuber borchii) 		PF08881
(CVNH) 		5 LEU A  37
LEU A  71
GLU A  34
LEU A  19
LEU A  12
 None
 0.97A 4wg0D-2jzkA:
undetectable
4wg0E-2jzkA:
undetectable
4wg0F-2jzkA:
undetectable		 4wg0D-2jzkA:
19.05
4wg0E-2jzkA:
19.05
4wg0F-2jzkA:
19.05
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.
2ka0 UNCHARACTERIZED
PROTEIN TM1367

(Thermotoga
maritima) 		PF04126
(Cyclophil_like) 		5 LEU A   5
GLU A  42
LEU A  77
ALA A  74
LEU A  75
 None
 1.09A 4wg0D-2ka0A:
undetectable
4wg0E-2ka0A:
undetectable
4wg0F-2ka0A:
undetectable		 4wg0D-2ka0A:
8.77
4wg0E-2ka0A:
8.77
4wg0F-2ka0A:
8.77
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.
2o8v THIOREDOXIN 1

(Escherichia
coli) 		PF00085
(Thioredoxin) 		5 LEU B 103
LEU B  24
LEU B  99
GLU B  44
LEU B  42
 None
 1.00A 4wg0D-2o8vB:
undetectable
4wg0E-2o8vB:
undetectable
4wg0F-2o8vB:
undetectable		 4wg0D-2o8vB:
6.30
4wg0E-2o8vB:
6.30
4wg0F-2o8vB:
6.30
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.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		5 LEU A 268
LEU A 260
GLU A 280
LYS A 281
LEU A 284
 None
 1.12A 4wg0D-2q01A:
undetectable
4wg0E-2q01A:
undetectable
4wg0F-2q01A:
undetectable		 4wg0D-2q01A:
2.11
4wg0E-2q01A:
2.11
4wg0F-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) 		5 LEU A 585
LEU A 581
GLU A 597
LYS A 598
LEU A 601
 None
 0.88A 4wg0D-2qxlA:
undetectable
4wg0E-2qxlA:
undetectable
4wg0F-2qxlA:
undetectable		 4wg0D-2qxlA:
2.26
4wg0E-2qxlA:
2.26
4wg0F-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.
2qzj TWO-COMPONENT
RESPONSE REGULATOR

(Clostridioides
difficile) 		PF00072
(Response_reg) 		5 LEU A 108
LEU A 111
LEU A  20
GLU A  25
LEU A  24
 None
 1.01A 4wg0D-2qzjA:
undetectable
4wg0E-2qzjA:
undetectable
4wg0F-2qzjA:
undetectable		 4wg0D-2qzjA:
5.88
4wg0E-2qzjA:
5.88
4wg0F-2qzjA:
5.88
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		5 LEU A 366
LEU A 390
GLU A 418
LEU A 420
LEU A 424
 None
 1.13A 4wg0D-2vf8A:
undetectable
4wg0E-2vf8A:
undetectable
4wg0F-2vf8A:
undetectable		 4wg0D-2vf8A:
2.38
4wg0E-2vf8A:
2.38
4wg0F-2vf8A:
2.38
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.
2wb1 DNA-DIRECTED RNA
POLYMERASERPO3
SUBUNIT

(Sulfolobus
shibatae) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 LEU D  15
LEU D 228
GLU D 239
LEU D 242
LEU D 230
 None
 0.90A 4wg0D-2wb1D:
undetectable
4wg0E-2wb1D:
undetectable
4wg0F-2wb1D:
undetectable		 4wg0D-2wb1D:
3.85
4wg0E-2wb1D:
3.85
4wg0F-2wb1D:
3.85
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.
2wcu PROTEIN FUCU HOMOLOG

(Mus musculus) 		PF05025
(RbsD_FucU) 		5 LEU A  30
LEU A  59
GLU A  27
LEU A 143
TYR A  98
 None
 1.14A 4wg0D-2wcuA:
undetectable
4wg0E-2wcuA:
undetectable
4wg0F-2wcuA:
undetectable		 4wg0D-2wcuA:
8.41
4wg0E-2wcuA:
8.41
4wg0F-2wcuA:
8.41
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.
2wqw INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 ASN A 261
LEU A 223
LEU A 226
LEU A 237
LEU A 235
 None
 0.87A 4wg0D-2wqwA:
undetectable
4wg0E-2wqwA:
undetectable
4wg0F-2wqwA:
undetectable		 4wg0D-2wqwA:
9.00
4wg0E-2wqwA:
9.00
4wg0F-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.
2xvx CHELATASE, PUTATIVE

(Desulfovibrio
vulgaris) 		PF06180
(CbiK) 		5 LEU A 209
LEU A 167
GLU A 133
ALA A 134
LEU A 135
 NA  A1288 ( 4.9A)
None
None
None
None
 1.18A 4wg0D-2xvxA:
undetectable
4wg0E-2xvxA:
undetectable
4wg0F-2xvxA:
undetectable		 4wg0D-2xvxA:
5.62
4wg0E-2xvxA:
5.62
4wg0F-2xvxA:
5.62
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.
2y5q INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 ASN A 261
LEU A 223
LEU A 226
LEU A 237
LEU A 235
 None
 0.90A 4wg0D-2y5qA:
undetectable
4wg0E-2y5qA:
undetectable
4wg0F-2y5qA:
undetectable		 4wg0D-2y5qA:
8.57
4wg0E-2y5qA:
8.57
4wg0F-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.
2y5q INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 LEU A 223
LEU A 226
LEU A 237
ALA A 307
LEU A 235
 None
 1.08A 4wg0D-2y5qA:
undetectable
4wg0E-2y5qA:
undetectable
4wg0F-2y5qA:
undetectable		 4wg0D-2y5qA:
8.57
4wg0E-2y5qA:
8.57
4wg0F-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.
2zyj ALPHA-AMINODIPATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		5 LEU A 168
LEU A 166
LEU A 188
ALA A 153
LEU A 154
 None
 1.07A 4wg0D-2zyjA:
undetectable
4wg0E-2zyjA:
undetectable
4wg0F-2zyjA:
undetectable		 4wg0D-2zyjA:
3.19
4wg0E-2zyjA:
3.19
4wg0F-2zyjA:
3.19
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.
3fmo ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD) 		5 LEU B  97
LEU B  99
LEU B 127
ALA B 146
LEU B 150
 None
None
None
ADP  B 301 (-3.5A)
None
 1.13A 4wg0D-3fmoB:
undetectable
4wg0E-3fmoB:
undetectable
4wg0F-3fmoB:
undetectable		 4wg0D-3fmoB:
3.67
4wg0E-3fmoB:
3.67
4wg0F-3fmoB:
3.67
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.
3fmp ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD) 		5 LEU B  97
LEU B  99
LEU B 127
ALA B 146
LEU B 150
 None
None
None
ADP  B 480 (-3.4A)
None
 1.04A 4wg0D-3fmpB:
undetectable
4wg0E-3fmpB:
undetectable
4wg0F-3fmpB:
undetectable		 4wg0D-3fmpB:
2.88
4wg0E-3fmpB:
2.88
4wg0F-3fmpB:
2.88
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.
3gf9 INTERSECTIN 2

(Homo sapiens) 		PF00621
(RhoGEF) 		5 ASN A1236
LEU A1239
LEU A1243
LEU A1263
LEU A1189
 None
 0.87A 4wg0D-3gf9A:
undetectable
4wg0E-3gf9A:
undetectable
4wg0F-3gf9A:
undetectable		 4wg0D-3gf9A:
3.73
4wg0E-3gf9A:
3.73
4wg0F-3gf9A:
3.73
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.
3gon PHOSPHOMEVALONATE
KINASE

(Streptococcus
pneumoniae) 		PF00288
(GHMP_kinases_N) 		5 LEU A 174
LEU A 179
GLU A  68
ALA A  71
LEU A  72
 None
 1.02A 4wg0D-3gonA:
undetectable
4wg0E-3gonA:
undetectable
4wg0F-3gonA:
undetectable		 4wg0D-3gonA:
6.90
4wg0E-3gonA:
6.90
4wg0F-3gonA:
6.90
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.
3gse MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE

(Yersinia pestis) 		PF00425
(Chorismate_bind) 		5 LEU A 130
GLU A  10
LEU A  11
ALA A  32
LEU A 141
 None
 1.00A 4wg0D-3gseA:
undetectable
4wg0E-3gseA:
undetectable
4wg0F-3gseA:
undetectable		 4wg0D-3gseA:
4.18
4wg0E-3gseA:
4.18
4wg0F-3gseA:
4.18
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.
3ihq DNA-DIRECTED RNA
POLYMERASE SUBUNIT
ALPHA

(Bacillus
subtilis) 		PF03118
(RNA_pol_A_CTD) 		5 LEU B 256
LEU B 258
GLU B 276
LEU B 277
LEU B 266
 None
 0.95A 4wg0D-3ihqB:
undetectable
4wg0E-3ihqB:
undetectable
4wg0F-3ihqB:
undetectable		 4wg0D-3ihqB:
13.51
4wg0E-3ihqB:
13.51
4wg0F-3ihqB:
13.51
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.
3isa PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Bordetella
parapertussis) 		PF00378
(ECH_1) 		5 LEU A  36
LEU A  40
LEU A  23
ALA A 113
LEU A 117
 None
None
None
CL  A 257 (-3.8A)
None
 1.10A 4wg0D-3isaA:
undetectable
4wg0E-3isaA:
undetectable
4wg0F-3isaA:
undetectable		 4wg0D-3isaA:
6.47
4wg0E-3isaA:
6.47
4wg0F-3isaA:
6.47
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.
3k5z FEM-3 MRNA-BINDING
FACTOR 2

(Caenorhabditis
elegans) 		PF00806
(PUF) 		5 LEU A 535
LEU A 507
GLU A 560
ALA A 563
LEU A 562
 None
 0.95A 4wg0D-3k5zA:
undetectable
4wg0E-3k5zA:
undetectable
4wg0F-3k5zA:
undetectable		 4wg0D-3k5zA:
3.37
4wg0E-3k5zA:
3.37
4wg0F-3k5zA:
3.37
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.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 ASN A3960
LEU A3997
LEU A4314
ALA A3981
LEU A3982
 None
 1.10A 4wg0D-3kciA:
undetectable
4wg0E-3kciA:
undetectable
4wg0F-3kciA:
undetectable		 4wg0D-3kciA:
3.86
4wg0E-3kciA:
3.86
4wg0F-3kciA:
3.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lre KINESIN-LIKE PROTEIN
KIF18A

(Homo sapiens) 		PF00225
(Kinesin) 		5 LEU A 312
LEU A 288
LEU A 316
ALA A 111
LEU A 110
 None
 1.20A 4wg0D-3lreA:
undetectable
4wg0E-3lreA:
undetectable
4wg0F-3lreA:
undetectable		 4wg0D-3lreA:
3.38
4wg0E-3lreA:
3.38
4wg0F-3lreA:
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.
3mzv DECAPRENYL
DIPHOSPHATE SYNTHASE

(Rhodobacter
capsulatus) 		PF00348
(polyprenyl_synt) 		5 LEU A 321
LEU A 324
LEU A  60
ALA A 211
LEU A 212
 None
 0.96A 4wg0D-3mzvA:
undetectable
4wg0E-3mzvA:
undetectable
4wg0F-3mzvA:
undetectable		 4wg0D-3mzvA:
5.02
4wg0E-3mzvA:
5.02
4wg0F-3mzvA:
5.02
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.
3pih UVRABC SYSTEM
PROTEIN A

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		5 LEU A 851
LEU A 847
LEU A 832
ALA A 817
LEU A 816
 None
 1.18A 4wg0D-3pihA:
undetectable
4wg0E-3pihA:
undetectable
4wg0F-3pihA:
undetectable		 4wg0D-3pihA:
1.64
4wg0E-3pihA:
1.64
4wg0F-3pihA:
1.64
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.
3pih UVRABC SYSTEM
PROTEIN A

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		5 LEU A 851
LEU A 847
LEU A 832
GLU A 819
LEU A 816
 None
 1.12A 4wg0D-3pihA:
undetectable
4wg0E-3pihA:
undetectable
4wg0F-3pihA:
undetectable		 4wg0D-3pihA:
1.64
4wg0E-3pihA:
1.64
4wg0F-3pihA:
1.64
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.
3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Lactobacillus
brevis) 		PF00348
(polyprenyl_synt) 		5 LEU A 245
LEU A 246
LEU A 164
ALA A 290
LEU A 289
 None
 1.01A 4wg0D-3pkoA:
undetectable
4wg0E-3pkoA:
undetectable
4wg0F-3pkoA:
undetectable		 4wg0D-3pkoA:
2.99
4wg0E-3pkoA:
2.99
4wg0F-3pkoA:
2.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s6f HYPOTHETICAL
ACETYLTRANSFERASE

(Deinococcus
radiodurans) 		PF13673
(Acetyltransf_10) 		5 LEU A  39
LEU A  23
LEU A  43
ALA A  52
LEU A  51
 LEU  A  39 ( 0.5A)
LEU  A  23 ( 0.6A)
LEU  A  43 ( 0.6A)
ALA  A  52 ( 0.0A)
LEU  A  51 ( 0.5A)
 1.11A 4wg0D-3s6fA:
undetectable
4wg0E-3s6fA:
undetectable
4wg0F-3s6fA:
undetectable		 4wg0D-3s6fA:
8.62
4wg0E-3s6fA:
8.62
4wg0F-3s6fA:
8.62
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.
3s6k ACETYLGLUTAMATE
KINASE

(Xanthomonas
campestris) 		PF00696
(AA_kinase)
PF04768
(NAT) 		5 LEU A  57
LEU A  60
LYS A 122
LEU A 123
ALA A 132
 None
 1.17A 4wg0D-3s6kA:
undetectable
4wg0E-3s6kA:
undetectable
4wg0F-3s6kA:
undetectable		 4wg0D-3s6kA:
3.33
4wg0E-3s6kA:
3.33
4wg0F-3s6kA:
3.33
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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 LEU A 308
LEU A 281
LEU A 304
ALA A 295
LEU A 296
 None
 0.97A 4wg0D-3tmaA:
undetectable
4wg0E-3tmaA:
undetectable
4wg0F-3tmaA:
undetectable		 4wg0D-3tmaA:
4.20
4wg0E-3tmaA:
4.20
4wg0F-3tmaA:
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.
4avy PROBABLE SHORT-CHAIN
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 LEU A  60
LEU A  40
LEU A  68
GLU A  73
ALA A  74
 None
 1.12A 4wg0D-4avyA:
undetectable
4wg0E-4avyA:
undetectable
4wg0F-4avyA:
undetectable		 4wg0D-4avyA:
5.49
4wg0E-4avyA:
5.49
4wg0F-4avyA:
5.49
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.
4cvm UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D- ALANINE LIGASE

(Pseudomonas
aeruginosa) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A  10
LEU A  14
LEU A  92
ALA A  66
LEU A  67
 None
 1.18A 4wg0D-4cvmA:
undetectable
4wg0E-4cvmA:
undetectable
4wg0F-4cvmA:
undetectable		 4wg0D-4cvmA:
2.81
4wg0E-4cvmA:
2.81
4wg0F-4cvmA:
2.81
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.
4dvy CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN

(Helicobacter
pylori) 		no annotation 5 LEU P 418
LEU P 415
GLU P 406
ALA P 409
LEU P 408
 None
 1.04A 4wg0D-4dvyP:
undetectable
4wg0E-4dvyP:
undetectable
4wg0F-4dvyP:
undetectable		 4wg0D-4dvyP:
2.23
4wg0E-4dvyP:
2.23
4wg0F-4dvyP:
2.23
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.
4g2a HYPOTHETICAL PROTEIN

(Legionella
pneumophila) 		PF13308
(YARHG)
PF14415
(DUF4424) 		5 LEU A 341
LYS A 284
LEU A 285
GLU A 292
LEU A 296
 None
SO4  A 413 (-4.1A)
None
None
None
 1.01A 4wg0D-4g2aA:
undetectable
4wg0E-4g2aA:
undetectable
4wg0F-4g2aA:
undetectable		 4wg0D-4g2aA:
3.50
4wg0E-4g2aA:
3.50
4wg0F-4g2aA:
3.50
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.
4gr4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		5 LEU A 273
LEU A 140
ALA A 102
LEU A 103
TYR A 100
 None
 1.16A 4wg0D-4gr4A:
undetectable
4wg0E-4gr4A:
undetectable
4wg0F-4gr4A:
undetectable		 4wg0D-4gr4A:
2.24
4wg0E-4gr4A:
2.24
4wg0F-4gr4A:
2.24
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.
4gr5 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		5 LEU A 273
LEU A 140
ALA A 102
LEU A 103
TYR A 100
 None
 1.14A 4wg0D-4gr5A:
undetectable
4wg0E-4gr5A:
undetectable
4wg0F-4gr5A:
undetectable		 4wg0D-4gr5A:
2.24
4wg0E-4gr5A:
2.24
4wg0F-4gr5A:
2.24
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.
4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN

(Rhodopseudomonas
palustris;
Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A   9
LEU A 219
LEU A  71
LEU A  34
TYR A  31
 None
None
None
None
MLY  A  18 ( 4.7A)
 1.17A 4wg0D-4gxrA:
undetectable
4wg0E-4gxrA:
undetectable
4wg0F-4gxrA:
undetectable		 4wg0D-4gxrA:
2.49
4wg0E-4gxrA:
2.49
4wg0F-4gxrA:
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.
4ha6 PYRIDOXINE 4-OXIDASE

(Mesorhizobium
loti) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 483
ARG A 482
LEU A 489
LEU A 276
LEU A 265
 None
 1.07A 4wg0D-4ha6A:
undetectable
4wg0E-4ha6A:
undetectable
4wg0F-4ha6A:
undetectable		 4wg0D-4ha6A:
2.63
4wg0E-4ha6A:
2.63
4wg0F-4ha6A:
2.63
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.
4i96 RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR) 		5 LEU A 220
ARG A 221
LEU A 222
GLU A 263
LEU A 262
 None
 0.88A 4wg0D-4i96A:
undetectable
4wg0E-4i96A:
undetectable
4wg0F-4i96A:
undetectable		 4wg0D-4i96A:
4.74
4wg0E-4i96A:
4.74
4wg0F-4i96A:
4.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ib2 PUTATIVE LIPOPROTEIN

([Ruminococcus]
gnavus) 		PF03180
(Lipoprotein_9) 		5 LEU A 257
LEU A 253
GLU A  53
LEU A  52
LEU A  66
 None
 1.09A 4wg0D-4ib2A:
undetectable
4wg0E-4ib2A:
undetectable
4wg0F-4ib2A:
undetectable		 4wg0D-4ib2A:
5.67
4wg0E-4ib2A:
5.67
4wg0F-4ib2A:
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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 LEU A 277
ARG A 278
LEU A  47
ALA A 207
LEU A 208
 None
 0.84A 4wg0D-4llsA:
undetectable
4wg0E-4llsA:
undetectable
4wg0F-4llsA:
undetectable		 4wg0D-4llsA:
4.65
4wg0E-4llsA:
4.65
4wg0F-4llsA:
4.65
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.
4m7c TELOMERIC
REPEAT-BINDING
FACTOR 2

(Homo sapiens) 		PF08558
(TRF) 		5 LEU A  91
ARG A  54
LEU A  57
LEU A  87
LEU A 101
 None
 1.03A 4wg0D-4m7cA:
undetectable
4wg0E-4m7cA:
undetectable
4wg0F-4m7cA:
undetectable		 4wg0D-4m7cA:
5.00
4wg0E-4m7cA:
5.00
4wg0F-4m7cA:
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.
4ndw NUCLEOID-ASSOCIATED
PROTEIN ESPR

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A  48
LEU A  45
LEU A   9
ALA A  63
LEU A  64
 None
 1.20A 4wg0D-4ndwA:
undetectable
4wg0E-4ndwA:
undetectable
4wg0F-4ndwA:
undetectable		 4wg0D-4ndwA:
5.88
4wg0E-4ndwA:
5.88
4wg0F-4ndwA:
5.88
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.
4oah MITOCHONDRIAL
DYNAMIC PROTEIN
MID51

(Mus musculus) 		PF03281
(Mab-21) 		5 LEU A 377
LEU A 380
LEU A 450
ALA A 411
LEU A 415
 None
 1.02A 4wg0D-4oahA:
undetectable
4wg0E-4oahA:
undetectable
4wg0F-4oahA:
undetectable		 4wg0D-4oahA:
6.74
4wg0E-4oahA:
6.74
4wg0F-4oahA:
6.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4per RIBONUCLEASE
INHIBITOR

(Gallus gallus) 		PF13516
(LRR_6) 		5 LEU A 170
LEU A 185
GLU A 191
ALA A 192
LEU A 189
 None
 1.19A 4wg0D-4perA:
undetectable
4wg0E-4perA:
undetectable
4wg0F-4perA:
undetectable		 4wg0D-4perA:
4.36
4wg0E-4perA:
4.36
4wg0F-4perA:
4.36
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.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		5 LEU A 190
LEU A  23
LEU A  63
GLU A 145
ALA A  15
 None
 1.07A 4wg0D-4pr3A:
undetectable
4wg0E-4pr3A:
undetectable
4wg0F-4pr3A:
undetectable		 4wg0D-4pr3A:
4.82
4wg0E-4pr3A:
4.82
4wg0F-4pr3A:
4.82
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.
4q5h PROTEIN KINASE OSPG

(Shigella sonnei) 		no annotation 5 LEU A 139
GLU A 131
LEU A 129
LEU A 125
TYR A 122
 None
 0.85A 4wg0D-4q5hA:
undetectable
4wg0E-4q5hA:
undetectable
4wg0F-4q5hA:
undetectable		 4wg0D-4q5hA:
7.88
4wg0E-4q5hA:
7.88
4wg0F-4q5hA:
7.88
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.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli) 		PF05845
(PhnH) 		5 ASN B  74
LEU B  77
ARG B  78
LEU B  52
ALA B  92
 None
 1.09A 4wg0D-4xb6B:
undetectable
4wg0E-4xb6B:
undetectable
4wg0F-4xb6B:
undetectable		 4wg0D-4xb6B:
5.75
4wg0E-4xb6B:
5.75
4wg0F-4xb6B:
5.75
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 LEU A 699
GLU A 655
ALA A 658
LEU A 657
TYR A 660
 None
 1.02A 4wg0D-4xmvA:
undetectable
4wg0E-4xmvA:
undetectable
4wg0F-4xmvA:
undetectable		 4wg0D-4xmvA:
1.38
4wg0E-4xmvA:
1.38
4wg0F-4xmvA:
1.38
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.
4zdl O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE

(Homo sapiens) 		PF05889
(SepSecS) 		5 LEU A 454
LEU A 395
GLU A 361
LEU A 434
ALA A 387
 None
 1.16A 4wg0D-4zdlA:
undetectable
4wg0E-4zdlA:
undetectable
4wg0F-4zdlA:
undetectable		 4wg0D-4zdlA:
4.32
4wg0E-4zdlA:
4.32
4wg0F-4zdlA:
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.
5b5r GASDERMIN-A3

(Mus musculus) 		PF04598
(Gasdermin) 		5 LEU A 352
LEU A 441
LEU A 360
ALA A 412
LEU A 413
 None
 1.12A 4wg0D-5b5rA:
undetectable
4wg0E-5b5rA:
undetectable
4wg0F-5b5rA:
undetectable		 4wg0D-5b5rA:
3.51
4wg0E-5b5rA:
3.51
4wg0F-5b5rA:
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.
5dtp PROBABLE ENOYL-COA
HYDRATASE ECHA6

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 LEU A  75
LEU A  78
LEU A  24
ALA A 105
LEU A 104
 None
 1.06A 4wg0D-5dtpA:
undetectable
4wg0E-5dtpA:
undetectable
4wg0F-5dtpA:
undetectable		 4wg0D-5dtpA:
4.90
4wg0E-5dtpA:
4.90
4wg0F-5dtpA:
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.
5e3e CDII IMMUNITY
PROTEIN

(Yersinia
kristensenii) 		no annotation 5 LEU A  13
GLU A  31
ALA A  34
LEU A  33
TYR A  36
 None
 1.02A 4wg0D-5e3eA:
undetectable
4wg0E-5e3eA:
undetectable
4wg0F-5e3eA:
undetectable		 4wg0D-5e3eA:
14.67
4wg0E-5e3eA:
14.67
4wg0F-5e3eA:
14.67
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.
5hax NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF08801
(Nucleoporin_N) 		5 LEU A 724
LEU A 720
LEU A 676
ALA A 614
LEU A 615
 None
 1.14A 4wg0D-5haxA:
undetectable
4wg0E-5haxA:
undetectable
4wg0F-5haxA:
undetectable		 4wg0D-5haxA:
1.82
4wg0E-5haxA:
1.82
4wg0F-5haxA:
1.82
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.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		5 ASN B1292
LEU B1295
LEU B1299
LEU B1462
LEU B1245
 None
 0.89A 4wg0D-5hzkB:
undetectable
4wg0E-5hzkB:
undetectable
4wg0F-5hzkB:
undetectable		 4wg0D-5hzkB:
2.91
4wg0E-5hzkB:
2.91
4wg0F-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.
5i61 POTENTIAL
RNA-DEPENDENT RNA
POLYMERASE

(Human
picobirnavirus) 		no annotation 5 LEU B 221
LEU B 333
GLU B 279
ALA B 282
LEU B 281
 None
 0.92A 4wg0D-5i61B:
undetectable
4wg0E-5i61B:
undetectable
4wg0F-5i61B:
undetectable		 4wg0D-5i61B:
3.35
4wg0E-5i61B:
3.35
4wg0F-5i61B:
3.35
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.
5ikn THIOREDOXIN-1

(Escherichia
coli) 		PF00085
(Thioredoxin) 		5 LEU K 103
LEU K  24
LEU K  99
GLU K  44
LEU K  42
 None
 0.98A 4wg0D-5iknK:
undetectable
4wg0E-5iknK:
undetectable
4wg0F-5iknK:
undetectable		 4wg0D-5iknK:
7.62
4wg0E-5iknK:
7.62
4wg0F-5iknK:
7.62
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.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 LEU A 248
ARG A  12
LEU A  13
LYS A 240
GLU A 308
 None
 1.12A 4wg0D-5iq0A:
undetectable
4wg0E-5iq0A:
undetectable
4wg0F-5iq0A:
undetectable		 4wg0D-5iq0A:
4.09
4wg0E-5iq0A:
4.09
4wg0F-5iq0A:
4.09
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.
5jhq TANKYRASE-1

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13606
(Ank_3) 		5 LEU A 480
ARG A 481
LEU A 484
GLU A 441
LEU A 439
 None
 1.06A 4wg0D-5jhqA:
undetectable
4wg0E-5jhqA:
undetectable
4wg0F-5jhqA:
undetectable		 4wg0D-5jhqA:
3.32
4wg0E-5jhqA:
3.32
4wg0F-5jhqA:
3.32
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.
5lb3 ATP-DEPENDENT DNA
HELICASE Q5

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind) 		5 LEU B 126
LEU B 100
GLU B 111
ALA B 114
LEU B 113
 None
 1.04A 4wg0D-5lb3B:
undetectable
4wg0E-5lb3B:
undetectable
4wg0F-5lb3B:
undetectable		 4wg0D-5lb3B:
5.06
4wg0E-5lb3B:
5.06
4wg0F-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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 LEU T3140
LEU T3141
LEU T3156
ALA T3166
LEU T3167
 None
 0.85A 4wg0D-5ojsT:
undetectable
4wg0E-5ojsT:
undetectable
4wg0F-5ojsT:
undetectable		 4wg0D-5ojsT:
0.35
4wg0E-5ojsT:
0.35
4wg0F-5ojsT:
0.35
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.
5op0 DNA POLYMERASE LIGD,
POLYMERASE DOMAIN

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU B 169
LEU B 164
LEU B 185
ALA B 202
LEU B 203
 None
 0.97A 4wg0D-5op0B:
undetectable
4wg0E-5op0B:
undetectable
4wg0F-5op0B:
undetectable		 4wg0D-5op0B:
6.91
4wg0E-5op0B:
6.91
4wg0F-5op0B:
6.91
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.
5ovt BPH

(Thiobacillus
denitrificans) 		no annotation 5 LEU A  88
LEU A  84
ALA A  59
LEU A  58
TYR A  61
 None
 0.91A 4wg0D-5ovtA:
undetectable
4wg0E-5ovtA:
undetectable
4wg0F-5ovtA:
undetectable		 4wg0D-5ovtA:
undetectable
4wg0E-5ovtA:
undetectable
4wg0F-5ovtA:
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.
5tub SHARK TBC1D15
GTPASE-ACTIVATING
PROTEIN

(Squalimorphii) 		PF00566
(RabGAP-TBC) 		5 LEU A 648
LEU A 525
ALA A 627
LEU A 584
TYR A 631
 None
 1.14A 4wg0D-5tubA:
undetectable
4wg0E-5tubA:
undetectable
4wg0F-5tubA:
undetectable		 4wg0D-5tubA:
3.17
4wg0E-5tubA:
3.17
4wg0F-5tubA:
3.17
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.
5ufm METHYLTRANSFERASE
DOMAIN PROTEIN

(Burkholderia
thailandensis) 		no annotation 5 LEU A 138
LEU A 196
ALA A 151
LEU A 150
TYR A 149
 None
 1.17A 4wg0D-5ufmA:
undetectable
4wg0E-5ufmA:
undetectable
4wg0F-5ufmA:
undetectable		 4wg0D-5ufmA:
undetectable
4wg0E-5ufmA:
undetectable
4wg0F-5ufmA:
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.
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179) 		no annotation 5 LEU A1363
LEU A1364
GLU A1114
LEU A1115
LEU A1289
 None
 0.91A 4wg0D-5wlhA:
undetectable
4wg0E-5wlhA:
undetectable
4wg0F-5wlhA:
undetectable		 4wg0D-5wlhA:
1.09
4wg0E-5wlhA:
1.09
4wg0F-5wlhA:
1.09
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.
5xft DEHYDROASCORBATE
REDUCTASE

(Chlamydomonas
reinhardtii) 		no annotation 5 LEU A 162
LEU A 177
ALA A 189
LEU A 188
TYR A 187
 None
 1.13A 4wg0D-5xftA:
undetectable
4wg0E-5xftA:
undetectable
4wg0F-5xftA:
undetectable		 4wg0D-5xftA:
undetectable
4wg0E-5xftA:
undetectable
4wg0F-5xftA:
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 5 LEU A 110
LEU A  40
LEU A  31
ALA A  80
LEU A  79
 None
 1.00A 4wg0D-5xohA:
undetectable
4wg0E-5xohA:
undetectable
4wg0F-5xohA:
undetectable		 4wg0D-5xohA:
undetectable
4wg0E-5xohA:
undetectable
4wg0F-5xohA:
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.
5y4d ANKYRIN-1,ANKYRIN-2,
ANKYRIN-2

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 LEU A2251
LEU A2252
LEU A2212
ALA A2195
LEU A2196
 None
 0.99A 4wg0D-5y4dA:
undetectable
4wg0E-5y4dA:
undetectable
4wg0F-5y4dA:
undetectable		 4wg0D-5y4dA:
1.38
4wg0E-5y4dA:
1.38
4wg0F-5y4dA:
1.38
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.
6cf6 TANKYRASE-1

(Mus musculus) 		no annotation 5 LEU A 473
ARG A 474
LEU A 477
GLU A 434
LEU A 432
 None
 1.05A 4wg0D-6cf6A:
undetectable
4wg0E-6cf6A:
undetectable
4wg0F-6cf6A:
undetectable		 4wg0D-6cf6A:
undetectable
4wg0E-6cf6A:
undetectable
4wg0F-6cf6A:
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.
6en3 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE
F2,MULTIFUNCTIONAL-A
UTOPROCESSING
REPEATS-IN-TOXIN

(Vibrio
cholerae;
Streptococcus
pyogenes) 		no annotation 5 ARG A 274
LEU A 275
LEU A 109
ALA A 147
LEU A 146
 None
 0.91A 4wg0D-6en3A:
undetectable
4wg0E-6en3A:
undetectable
4wg0F-6en3A:
undetectable		 4wg0D-6en3A:
undetectable
4wg0E-6en3A:
undetectable
4wg0F-6en3A:
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 5 LEU C1020
ARG C1019
LEU C1016
LEU C1038
TYR C 979
 None
 0.97A 4wg0D-6en4C:
undetectable
4wg0E-6en4C:
undetectable
4wg0F-6en4C:
undetectable		 4wg0D-6en4C:
undetectable
4wg0E-6en4C:
undetectable
4wg0F-6en4C:
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 LEU A  65
LEU A  64
LEU A 881
ALA A 693
LEU A 695
 None
 1.16A 4wg0D-6eotA:
undetectable
4wg0E-6eotA:
undetectable
4wg0F-6eotA:
undetectable		 4wg0D-6eotA:
undetectable
4wg0E-6eotA:
undetectable
4wg0F-6eotA:
undetectable