SIMILAR PATTERNS OF AMINO ACIDS FOR 4WG0_I_CHDI103_0

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.
1axn ANNEXIN III

(Homo sapiens) 		PF00191
(Annexin) 		5 ALA A 186
LEU A 183
GLU A 200
LEU A 202
LEU A 241
 None
 1.09A 4wg0G-1axnA:
undetectable
4wg0H-1axnA:
undetectable
4wg0I-1axnA:
undetectable		 4wg0G-1axnA:
4.02
4wg0H-1axnA:
4.02
4wg0I-1axnA:
4.02
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.
1ctt CYTIDINE DEAMINASE

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		5 LEU A  33
LYS A  42
LEU A  41
LEU A  52
LEU A  56
 None
 0.98A 4wg0G-1cttA:
undetectable
4wg0H-1cttA:
undetectable
4wg0I-1cttA:
undetectable		 4wg0G-1cttA:
6.47
4wg0H-1cttA:
6.47
4wg0I-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.
1f51 SPORULATION
INITIATION
PHOSPHOTRANSFERASE B

(Bacillus
subtilis) 		PF14682
(SPOB_ab)
PF14689
(SPOB_a) 		5 ALA A 111
LEU A 110
LEU A 137
LEU A  71
LEU A 103
 None
 0.97A 4wg0G-1f51A:
undetectable
4wg0H-1f51A:
undetectable
4wg0I-1f51A:
undetectable		 4wg0G-1f51A:
5.45
4wg0H-1f51A:
5.45
4wg0I-1f51A:
5.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fba FRUCTOSE
1,6-BISPHOSPHATE
ALDOLASE

(Drosophila
melanogaster) 		PF00274
(Glycolytic) 		5 GLU A  95
LYS A  98
LEU A  97
LEU A 104
LEU A  78
 None
 1.16A 4wg0G-1fbaA:
undetectable
4wg0H-1fbaA:
undetectable
4wg0I-1fbaA:
undetectable		 4wg0G-1fbaA:
5.58
4wg0H-1fbaA:
5.58
4wg0I-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) 		5 LEU A 444
GLU A 460
LEU A 462
LEU A 501
LEU A 489
 None
 0.89A 4wg0G-1m9iA:
undetectable
4wg0H-1m9iA:
undetectable
4wg0I-1m9iA:
undetectable		 4wg0G-1m9iA:
1.98
4wg0H-1m9iA:
1.98
4wg0I-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) 		5 LEU A 235
LEU A 237
ASN A 261
LEU A 223
LEU A 226
 None
 0.77A 4wg0G-1m9sA:
undetectable
4wg0H-1m9sA:
undetectable
4wg0I-1m9sA:
undetectable		 4wg0G-1m9sA:
2.49
4wg0H-1m9sA:
2.49
4wg0I-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.
1nne DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 ALA A  77
GLU A  83
LEU A  85
LEU A  92
LEU A  33
 None
 1.00A 4wg0G-1nneA:
undetectable
4wg0H-1nneA:
undetectable
4wg0I-1nneA:
undetectable		 4wg0G-1nneA:
3.44
4wg0H-1nneA:
3.44
4wg0I-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.
1nne DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 ALA A  77
TYR A  40
GLU A  83
LEU A  85
LEU A  92
 None
 1.12A 4wg0G-1nneA:
undetectable
4wg0H-1nneA:
undetectable
4wg0I-1nneA:
undetectable		 4wg0G-1nneA:
3.44
4wg0H-1nneA:
3.44
4wg0I-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.
1oro OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Escherichia
coli) 		PF00156
(Pribosyltran) 		5 GLU A  55
ALA A  56
LEU A  57
LEU A  85
LEU A  67
 None
 1.09A 4wg0G-1oroA:
undetectable
4wg0H-1oroA:
undetectable
4wg0I-1oroA:
undetectable		 4wg0G-1oroA:
10.48
4wg0H-1oroA:
10.48
4wg0I-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.
1rhy IMIDAZOLE GLYCEROL
PHOSPHATE
DEHYDRATASE

(Cryptococcus
neoformans) 		PF00475
(IGPD) 		5 ALA A   6
GLU A  83
LEU A  81
LEU A  60
LEU A  58
 None
 1.10A 4wg0G-1rhyA:
undetectable
4wg0H-1rhyA:
undetectable
4wg0I-1rhyA:
undetectable		 4wg0G-1rhyA:
5.73
4wg0H-1rhyA:
5.73
4wg0I-1rhyA:
5.73
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.
1sif UBIQUITIN

(Homo sapiens) 		PF00240
(ubiquitin) 		5 LEU A  56
GLU A  24
LEU A  26
LEU A  43
LEU A  67
 None
 0.94A 4wg0G-1sifA:
undetectable
4wg0H-1sifA:
undetectable
4wg0I-1sifA:
undetectable		 4wg0G-1sifA:
12.24
4wg0H-1sifA:
12.24
4wg0I-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 171
TYR A 168
LEU A 226
LEU A 233
LEU A 160
 None
 0.96A 4wg0G-1tx4A:
undetectable
4wg0H-1tx4A:
undetectable
4wg0I-1tx4A:
undetectable		 4wg0G-1tx4A:
6.94
4wg0H-1tx4A:
6.94
4wg0I-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.
1u0n PLATELET
GLYCOPROTEIN IB

(Homo sapiens) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 ALA D  24
LEU D  25
LEU D  51
LEU D  60
LEU D  36
 None
 1.11A 4wg0G-1u0nD:
undetectable
4wg0H-1u0nD:
undetectable
4wg0I-1u0nD:
undetectable		 4wg0G-1u0nD:
5.38
4wg0H-1u0nD:
5.38
4wg0I-1u0nD:
5.38
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.
1ujn DEHYDROQUINATE
SYNTHASE

(Thermus
thermophilus) 		PF01761
(DHQ_synthase) 		5 GLU A 200
ALA A 204
LEU A 203
LEU A 192
LEU A 171
 None
 1.06A 4wg0G-1ujnA:
undetectable
4wg0H-1ujnA:
undetectable
4wg0I-1ujnA:
undetectable		 4wg0G-1ujnA:
3.62
4wg0H-1ujnA:
3.62
4wg0I-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.
1v84 GALACTOSYLGALACTOSYL
XYLOSYLPROTEIN
3-BETA-GLUCURONOSYLT
RANSFERASE 1

(Homo sapiens) 		PF03360
(Glyco_transf_43) 		5 LYS A  99
LEU A 102
LEU A 133
ARG A 135
LEU A 134
 None
 1.13A 4wg0G-1v84A:
undetectable
4wg0H-1v84A:
undetectable
4wg0I-1v84A:
undetectable		 4wg0G-1v84A:
5.22
4wg0H-1v84A:
5.22
4wg0I-1v84A:
5.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9c PRECORRIN-8X METHYL
MUTASE

(Thermus
thermophilus) 		PF02570
(CbiC) 		5 ALA A 154
LEU A 155
LEU A 157
LEU A 197
LEU A 200
 None
 1.02A 4wg0G-1v9cA:
undetectable
4wg0H-1v9cA:
undetectable
4wg0I-1v9cA:
undetectable		 4wg0G-1v9cA:
5.80
4wg0H-1v9cA:
5.80
4wg0I-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 ALA C 472
LEU C 473
LEU C 571
LEU C 460
LEU C 457
 None
 1.13A 4wg0G-1w36C:
undetectable
4wg0H-1w36C:
undetectable
4wg0I-1w36C:
undetectable		 4wg0G-1w36C:
1.29
4wg0H-1w36C:
1.29
4wg0I-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.
1wy9 ALLOGRAFT
INFLAMMATORY FACTOR
1

(Mus musculus) 		no annotation 5 LEU A  43
TYR A  37
LEU A 107
ARG A 108
LEU A 111
 None
 1.06A 4wg0G-1wy9A:
undetectable
4wg0H-1wy9A:
undetectable
4wg0I-1wy9A:
undetectable		 4wg0G-1wy9A:
6.09
4wg0H-1wy9A:
6.09
4wg0I-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 ALA A 233
LEU A 234
TYR A 237
GLU A 254
LEU A 166
 None
 1.10A 4wg0G-1ym5A:
undetectable
4wg0H-1ym5A:
undetectable
4wg0I-1ym5A:
undetectable		 4wg0G-1ym5A:
4.14
4wg0H-1ym5A:
4.14
4wg0I-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 GLU A 817
ALA A 797
LEU A 796
LEU A 827
LEU A 829
 None
 1.09A 4wg0G-2b3xA:
undetectable
4wg0H-2b3xA:
undetectable
4wg0I-2b3xA:
undetectable		 4wg0G-2b3xA:
1.66
4wg0H-2b3xA:
1.66
4wg0I-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.
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
 0.60A 4wg0G-2c1uA:
undetectable
4wg0H-2c1uA:
undetectable
4wg0I-2c1uA:
undetectable		 4wg0G-2c1uA:
3.59
4wg0H-2c1uA:
3.59
4wg0I-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.
2h8o GERANYLTRANSTRANSFER
ASE

(Agrobacterium
fabrum) 		PF00348
(polyprenyl_synt) 		5 ALA A 314
LEU A 313
LEU A 247
LEU A 100
LEU A  99
 None
 1.14A 4wg0G-2h8oA:
undetectable
4wg0H-2h8oA:
undetectable
4wg0I-2h8oA:
undetectable		 4wg0G-2h8oA:
3.90
4wg0H-2h8oA:
3.90
4wg0I-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  17
GLU A  23
LYS A  22
LEU A  21
LEU A  67
 None
 0.89A 4wg0G-2ielA:
undetectable
4wg0H-2ielA:
undetectable
4wg0I-2ielA:
undetectable		 4wg0G-2ielA:
20.69
4wg0H-2ielA:
20.69
4wg0I-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   8
TYR A  33
LEU A 178
LEU A 199
ARG A 200
LEU A 203
 None
 1.19A 4wg0G-2in3A:
undetectable
4wg0H-2in3A:
undetectable
4wg0I-2in3A:
undetectable		 4wg0G-2in3A:
4.78
4wg0H-2in3A:
4.78
4wg0I-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.
2jad YELLOW FLUORESCENT
PROTEIN GLUTAREDOXIN
FUSION PROTEIN

(Saccharomyces
cerevisiae;
Aequorea
victoria) 		PF00462
(Glutaredoxin)
PF01353
(GFP) 		5 LEU A 337
GLU A 342
LEU A 346
LEU A 287
LEU A 283
 None
 1.02A 4wg0G-2jadA:
undetectable
4wg0H-2jadA:
undetectable
4wg0I-2jadA:
undetectable		 4wg0G-2jadA:
5.21
4wg0H-2jadA:
5.21
4wg0I-2jadA:
5.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF01903
(CbiX) 		5 GLU A 375
LEU A 282
GLU A 367
LEU A 366
LEU A 297
 None
 1.09A 4wg0G-2jh3A:
undetectable
4wg0H-2jh3A:
undetectable
4wg0I-2jh3A:
undetectable		 4wg0G-2jh3A:
2.49
4wg0H-2jh3A:
2.49
4wg0I-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.
2jzk CYANOVIRIN-N HOMOLOG

(Tuber borchii) 		PF08881
(CVNH) 		5 LEU A  12
GLU A  34
LEU A  19
LEU A  37
LEU A  71
 None
 0.97A 4wg0G-2jzkA:
undetectable
4wg0H-2jzkA:
undetectable
4wg0I-2jzkA:
undetectable		 4wg0G-2jzkA:
19.05
4wg0H-2jzkA:
19.05
4wg0I-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.
2o8v THIOREDOXIN 1

(Escherichia
coli) 		PF00085
(Thioredoxin) 		5 GLU B  44
LEU B  42
LEU B  99
LEU B 103
LEU B  24
 None
 1.02A 4wg0G-2o8vB:
undetectable
4wg0H-2o8vB:
undetectable
4wg0I-2o8vB:
undetectable		 4wg0G-2o8vB:
6.30
4wg0H-2o8vB:
6.30
4wg0I-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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		5 ALA A 625
LEU A 626
TYR A 623
LEU A 637
LEU A 130
 None
 1.18A 4wg0G-2pggA:
undetectable
4wg0H-2pggA:
undetectable
4wg0I-2pggA:
undetectable		 4wg0G-2pggA:
2.57
4wg0H-2pggA:
2.57
4wg0I-2pggA:
2.57
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.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		5 GLU A 280
LYS A 281
LEU A 284
LEU A 268
LEU A 260
 None
 0.90A 4wg0G-2q01A:
undetectable
4wg0H-2q01A:
undetectable
4wg0I-2q01A:
undetectable		 4wg0G-2q01A:
2.11
4wg0H-2q01A:
2.11
4wg0I-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.
2qzj TWO-COMPONENT
RESPONSE REGULATOR

(Clostridioides
difficile) 		PF00072
(Response_reg) 		5 GLU A  25
LEU A  24
LEU A  20
LEU A 108
LEU A 111
 None
 0.99A 4wg0G-2qzjA:
undetectable
4wg0H-2qzjA:
undetectable
4wg0I-2qzjA:
undetectable		 4wg0G-2qzjA:
5.88
4wg0H-2qzjA:
5.88
4wg0I-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.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 GLU A 298
LEU A 300
LEU A 319
ARG A 605
LEU A 315
 None
 1.13A 4wg0G-2va8A:
undetectable
4wg0H-2va8A:
undetectable
4wg0I-2va8A:
undetectable		 4wg0G-2va8A:
2.20
4wg0H-2va8A:
2.20
4wg0I-2va8A:
2.20
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		5 LEU A 424
GLU A 418
LEU A 420
LEU A 366
LEU A 390
 None
 1.18A 4wg0G-2vf8A:
undetectable
4wg0H-2vf8A:
undetectable
4wg0I-2vf8A:
undetectable		 4wg0G-2vf8A:
2.38
4wg0H-2vf8A:
2.38
4wg0I-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.
2wcu PROTEIN FUCU HOMOLOG

(Mus musculus) 		PF05025
(RbsD_FucU) 		5 TYR A  98
GLU A  27
LEU A 143
LEU A  30
LEU A  59
 None
 1.11A 4wg0G-2wcuA:
undetectable
4wg0H-2wcuA:
undetectable
4wg0I-2wcuA:
undetectable		 4wg0G-2wcuA:
8.41
4wg0H-2wcuA:
8.41
4wg0I-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.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 ALA A  97
LEU A 126
LEU A 173
LEU A 166
LEU A 162
 None
 1.19A 4wg0G-2wpgA:
undetectable
4wg0H-2wpgA:
undetectable
4wg0I-2wpgA:
undetectable		 4wg0G-2wpgA:
1.96
4wg0H-2wpgA:
1.96
4wg0I-2wpgA:
1.96
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.
2wqw INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 LEU A 235
LEU A 237
ASN A 261
LEU A 223
LEU A 226
 None
 0.85A 4wg0G-2wqwA:
undetectable
4wg0H-2wqwA:
undetectable
4wg0I-2wqwA:
undetectable		 4wg0G-2wqwA:
9.00
4wg0H-2wqwA:
9.00
4wg0I-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.
2y5q INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 ALA A 307
LEU A 235
LEU A 237
LEU A 223
LEU A 226
 None
 1.07A 4wg0G-2y5qA:
undetectable
4wg0H-2y5qA:
undetectable
4wg0I-2y5qA:
undetectable		 4wg0G-2y5qA:
8.57
4wg0H-2y5qA:
8.57
4wg0I-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 235
LEU A 237
ASN A 261
LEU A 223
LEU A 226
 None
 0.89A 4wg0G-2y5qA:
undetectable
4wg0H-2y5qA:
undetectable
4wg0I-2y5qA:
undetectable		 4wg0G-2y5qA:
8.57
4wg0H-2y5qA:
8.57
4wg0I-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.
2yqy HYPOTHETICAL PROTEIN
TTHA0303

(Thermus
thermophilus) 		PF12867
(DinB_2) 		5 LEU A  24
GLU A  30
LEU A  28
LEU A 110
LEU A 113
 None
 0.98A 4wg0G-2yqyA:
undetectable
4wg0H-2yqyA:
undetectable
4wg0I-2yqyA:
undetectable		 4wg0G-2yqyA:
8.53
4wg0H-2yqyA:
8.53
4wg0I-2yqyA:
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.
2zyj ALPHA-AMINODIPATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		5 ALA A 153
LEU A 154
LEU A 188
LEU A 168
LEU A 166
 None
 1.09A 4wg0G-2zyjA:
undetectable
4wg0H-2zyjA:
undetectable
4wg0I-2zyjA:
undetectable		 4wg0G-2zyjA:
3.19
4wg0H-2zyjA:
3.19
4wg0I-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.
3cr8 SULFATE
ADENYLYLTRANSFERASE,
ADENYLYLSULFATE
KINASE

(Thiobacillus
denitrificans) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 ALA A  94
LEU A  93
LEU A  35
LEU A 102
LEU A 129
 None
 1.14A 4wg0G-3cr8A:
undetectable
4wg0H-3cr8A:
undetectable
4wg0I-3cr8A:
undetectable		 4wg0G-3cr8A:
2.94
4wg0H-3cr8A:
2.94
4wg0I-3cr8A:
2.94
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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 ALA A 409
GLU A 340
LEU A 339
ASN A 114
LEU A  59
 None
 1.17A 4wg0G-3dc8A:
undetectable
4wg0H-3dc8A:
undetectable
4wg0I-3dc8A:
undetectable		 4wg0G-3dc8A:
3.61
4wg0H-3dc8A:
3.61
4wg0I-3dc8A:
3.61
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.
3fmp ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD) 		5 ALA B 146
LEU B 150
LEU B 127
LEU B  97
LEU B  99
 ADP  B 480 (-3.4A)
None
None
None
None
 1.06A 4wg0G-3fmpB:
undetectable
4wg0H-3fmpB:
undetectable
4wg0I-3fmpB:
undetectable		 4wg0G-3fmpB:
2.88
4wg0H-3fmpB:
2.88
4wg0I-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.
3fms TRANSCRIPTIONAL
REGULATOR, GNTR
FAMILY

(Thermotoga
maritima) 		PF00392
(GntR)
PF07729
(FCD) 		5 LEU A  26
GLU A  19
LEU A  17
LEU A  37
LEU A  32
 None
 1.17A 4wg0G-3fmsA:
undetectable
4wg0H-3fmsA:
undetectable
4wg0I-3fmsA:
undetectable		 4wg0G-3fmsA:
9.52
4wg0H-3fmsA:
9.52
4wg0I-3fmsA:
9.52
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.
3fs1 HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 219
GLU A 184
LEU A 186
LEU A 361
LEU A 365
 MYR  A 500 ( 4.0A)
None
None
None
None
 1.10A 4wg0G-3fs1A:
undetectable
4wg0H-3fs1A:
undetectable
4wg0I-3fs1A:
undetectable		 4wg0G-3fs1A:
11.58
4wg0H-3fs1A:
11.58
4wg0I-3fs1A:
11.58
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.
3gf9 INTERSECTIN 2

(Homo sapiens) 		PF00621
(RhoGEF) 		5 LEU A1189
LEU A1263
ASN A1236
LEU A1239
LEU A1243
 None
 0.87A 4wg0G-3gf9A:
undetectable
4wg0H-3gf9A:
undetectable
4wg0I-3gf9A:
undetectable		 4wg0G-3gf9A:
3.73
4wg0H-3gf9A:
3.73
4wg0I-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 GLU A  68
ALA A  71
LEU A  72
LEU A 174
LEU A 179
 None
 1.07A 4wg0G-3gonA:
undetectable
4wg0H-3gonA:
undetectable
4wg0I-3gonA:
undetectable		 4wg0G-3gonA:
6.90
4wg0H-3gonA:
6.90
4wg0I-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 ALA A  32
LEU A 141
GLU A  10
LEU A  11
LEU A 130
 None
 1.04A 4wg0G-3gseA:
undetectable
4wg0H-3gseA:
undetectable
4wg0I-3gseA:
undetectable		 4wg0G-3gseA:
4.18
4wg0H-3gseA:
4.18
4wg0I-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.
3hm7 ALLANTOINASE

(Bacillus
halodurans) 		PF01979
(Amidohydro_1) 		5 ALA A 344
LEU A 347
GLU A 397
LEU A 395
LEU A 358
 None
 1.19A 4wg0G-3hm7A:
undetectable
4wg0H-3hm7A:
undetectable
4wg0I-3hm7A:
undetectable		 4wg0G-3hm7A:
4.30
4wg0H-3hm7A:
4.30
4wg0I-3hm7A:
4.30
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.
3isa PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Bordetella
parapertussis) 		PF00378
(ECH_1) 		5 ALA A 113
LEU A 117
LEU A  23
LEU A  36
LEU A  40
 CL  A 257 (-3.8A)
None
None
None
None
 1.11A 4wg0G-3isaA:
undetectable
4wg0H-3isaA:
undetectable
4wg0I-3isaA:
undetectable		 4wg0G-3isaA:
6.47
4wg0H-3isaA:
6.47
4wg0I-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.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 ALA A3981
LEU A3982
LEU A4314
ASN A3960
LEU A3997
 None
 1.11A 4wg0G-3kciA:
undetectable
4wg0H-3kciA:
undetectable
4wg0I-3kciA:
undetectable		 4wg0G-3kciA:
3.86
4wg0H-3kciA:
3.86
4wg0I-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.
3mzv DECAPRENYL
DIPHOSPHATE SYNTHASE

(Rhodobacter
capsulatus) 		PF00348
(polyprenyl_synt) 		5 ALA A 211
LEU A 212
LEU A  60
LEU A 321
LEU A 324
 None
 0.99A 4wg0G-3mzvA:
undetectable
4wg0H-3mzvA:
undetectable
4wg0I-3mzvA:
undetectable		 4wg0G-3mzvA:
5.02
4wg0H-3mzvA:
5.02
4wg0I-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 GLU A 819
LEU A 816
LEU A 832
LEU A 851
LEU A 847
 None
 1.17A 4wg0G-3pihA:
undetectable
4wg0H-3pihA:
undetectable
4wg0I-3pihA:
undetectable		 4wg0G-3pihA:
1.64
4wg0H-3pihA:
1.64
4wg0I-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 ALA A 290
LEU A 289
LEU A 164
LEU A 245
LEU A 246
 None
 1.03A 4wg0G-3pkoA:
undetectable
4wg0H-3pkoA:
undetectable
4wg0I-3pkoA:
undetectable		 4wg0G-3pkoA:
2.99
4wg0H-3pkoA:
2.99
4wg0I-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 ALA A  52
LEU A  51
LEU A  43
LEU A  39
LEU A  23
 ALA  A  52 ( 0.0A)
LEU  A  51 ( 0.5A)
LEU  A  43 ( 0.6A)
LEU  A  39 ( 0.5A)
LEU  A  23 ( 0.6A)
 1.11A 4wg0G-3s6fA:
undetectable
4wg0H-3s6fA:
undetectable
4wg0I-3s6fA:
undetectable		 4wg0G-3s6fA:
8.62
4wg0H-3s6fA:
8.62
4wg0I-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 ALA A 132
GLU A 125
LEU A 123
LEU A  57
LEU A  60
 None
 0.96A 4wg0G-3s6kA:
undetectable
4wg0H-3s6kA:
undetectable
4wg0I-3s6kA:
undetectable		 4wg0G-3s6kA:
3.33
4wg0H-3s6kA:
3.33
4wg0I-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.
3thz DNA MISMATCH REPAIR
PROTEIN MSH2

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 LEU A 602
LEU A 421
LEU A 372
ARG A 373
LEU A 376
 None
 1.07A 4wg0G-3thzA:
undetectable
4wg0H-3thzA:
undetectable
4wg0I-3thzA:
undetectable		 4wg0G-3thzA:
1.82
4wg0H-3thzA:
1.82
4wg0I-3thzA:
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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ALA A 295
LEU A 296
LEU A 304
LEU A 308
LEU A 281
 None
 0.94A 4wg0G-3tmaA:
undetectable
4wg0H-3tmaA:
undetectable
4wg0I-3tmaA:
undetectable		 4wg0G-3tmaA:
4.20
4wg0H-3tmaA:
4.20
4wg0I-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.
3u3y THREE PRIME REPAIR
EXONUCLEASE 1

(Mus musculus) 		no annotation 5 ALA B 105
LEU B 108
GLU B 137
LEU B  34
LEU B  67
 None
 1.19A 4wg0G-3u3yB:
undetectable
4wg0H-3u3yB:
undetectable
4wg0I-3u3yB:
undetectable		 4wg0G-3u3yB:
5.88
4wg0H-3u3yB:
5.88
4wg0I-3u3yB:
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.
4a2p RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ALA A 622
LEU A 619
GLU A 614
LEU A 615
LEU A 633
 None
 0.94A 4wg0G-4a2pA:
undetectable
4wg0H-4a2pA:
undetectable
4wg0I-4a2pA:
undetectable		 4wg0G-4a2pA:
2.34
4wg0H-4a2pA:
2.34
4wg0I-4a2pA:
2.34
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.
4avy PROBABLE SHORT-CHAIN
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 GLU A  73
ALA A  74
LEU A  68
LEU A  60
LEU A  40
 None
 1.09A 4wg0G-4avyA:
undetectable
4wg0H-4avyA:
undetectable
4wg0I-4avyA:
undetectable		 4wg0G-4avyA:
5.49
4wg0H-4avyA:
5.49
4wg0I-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.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		5 LEU A 361
GLU A 367
LEU A 365
LEU A 464
LEU A 410
 None
 1.17A 4wg0G-4fgvA:
undetectable
4wg0H-4fgvA:
undetectable
4wg0I-4fgvA:
undetectable		 4wg0G-4fgvA:
1.20
4wg0H-4fgvA:
1.20
4wg0I-4fgvA:
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.
4g2a HYPOTHETICAL PROTEIN

(Legionella
pneumophila) 		PF13308
(YARHG)
PF14415
(DUF4424) 		5 GLU A 292
LEU A 296
LYS A 284
LEU A 285
LEU A 341
 None
None
SO4  A 413 (-4.1A)
None
None
 1.07A 4wg0G-4g2aA:
undetectable
4wg0H-4g2aA:
undetectable
4wg0I-4g2aA:
undetectable		 4wg0G-4g2aA:
3.50
4wg0H-4g2aA:
3.50
4wg0I-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 ALA A 102
LEU A 103
TYR A 100
LEU A 140
LEU A 273
 None
 1.16A 4wg0G-4gr4A:
undetectable
4wg0H-4gr4A:
undetectable
4wg0I-4gr4A:
undetectable		 4wg0G-4gr4A:
2.24
4wg0H-4gr4A:
2.24
4wg0I-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 ALA A 102
LEU A 103
TYR A 100
LEU A 140
LEU A 273
 None
 1.13A 4wg0G-4gr5A:
undetectable
4wg0H-4gr5A:
undetectable
4wg0I-4gr5A:
undetectable		 4wg0G-4gr5A:
2.24
4wg0H-4gr5A:
2.24
4wg0I-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.
4ha6 PYRIDOXINE 4-OXIDASE

(Mesorhizobium
loti) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 265
LEU A 276
LEU A 483
ARG A 482
LEU A 489
 None
 1.11A 4wg0G-4ha6A:
undetectable
4wg0H-4ha6A:
undetectable
4wg0I-4ha6A:
undetectable		 4wg0G-4ha6A:
2.63
4wg0H-4ha6A:
2.63
4wg0I-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.
4l4x AMPHI

(Streptomyces
nodosus) 		PF08659
(KR) 		5 ALA A 230
LEU A 234
LEU A 238
LEU A  80
LEU A 101
 None
 1.19A 4wg0G-4l4xA:
undetectable
4wg0H-4l4xA:
undetectable
4wg0I-4l4xA:
undetectable		 4wg0G-4l4xA:
2.14
4wg0H-4l4xA:
2.14
4wg0I-4l4xA:
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.
4ndw NUCLEOID-ASSOCIATED
PROTEIN ESPR

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A  63
LEU A  64
LEU A   9
LEU A  48
LEU A  45
 None
 1.19A 4wg0G-4ndwA:
undetectable
4wg0H-4ndwA:
undetectable
4wg0I-4ndwA:
undetectable		 4wg0G-4ndwA:
5.88
4wg0H-4ndwA:
5.88
4wg0I-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 ALA A 411
LEU A 415
LEU A 450
LEU A 377
LEU A 380
 None
 1.05A 4wg0G-4oahA:
undetectable
4wg0H-4oahA:
undetectable
4wg0I-4oahA:
undetectable		 4wg0G-4oahA:
6.74
4wg0H-4oahA:
6.74
4wg0I-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.
4oo0 MAF-LIKE PROTEIN
BCAL2394

(Burkholderia
cenocepacia) 		PF02545
(Maf) 		5 LEU A 199
GLU A  29
LEU A  31
LEU A  20
LEU A  91
 None
 0.96A 4wg0G-4oo0A:
undetectable
4wg0H-4oo0A:
undetectable
4wg0I-4oo0A:
undetectable		 4wg0G-4oo0A:
3.86
4wg0H-4oo0A:
3.86
4wg0I-4oo0A:
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.
4p0j INTERLEUKIN-36
RECEPTOR
ANTAGONIST/INTERLEUK
IN-36 GAMMA CHIMERA
PROTEIN

(Homo sapiens) 		PF00340
(IL1) 		5 GLU A  81
LEU A  68
LEU A  78
LEU A 133
LEU A 121
 None
 1.14A 4wg0G-4p0jA:
undetectable
4wg0H-4p0jA:
undetectable
4wg0I-4p0jA:
undetectable		 4wg0G-4p0jA:
6.94
4wg0H-4p0jA:
6.94
4wg0I-4p0jA:
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.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		5 GLU A 145
ALA A  15
LEU A  63
LEU A 190
LEU A  23
 None
 1.05A 4wg0G-4pr3A:
undetectable
4wg0H-4pr3A:
undetectable
4wg0I-4pr3A:
undetectable		 4wg0G-4pr3A:
4.82
4wg0H-4pr3A:
4.82
4wg0I-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 125
TYR A 122
GLU A 131
LEU A 129
LEU A 139
 None
 0.85A 4wg0G-4q5hA:
undetectable
4wg0H-4q5hA:
undetectable
4wg0I-4q5hA:
undetectable		 4wg0G-4q5hA:
7.88
4wg0H-4q5hA:
7.88
4wg0I-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.
4u63 DNA PHOTOLYASE

(Agrobacterium
fabrum) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 ALA A  23
LEU A  24
LEU A  18
LEU A  66
LEU A 172
 None
 1.17A 4wg0G-4u63A:
undetectable
4wg0H-4u63A:
undetectable
4wg0I-4u63A:
undetectable		 4wg0G-4u63A:
4.66
4wg0H-4u63A:
4.66
4wg0I-4u63A:
4.66
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 GLU A 655
ALA A 658
LEU A 657
TYR A 660
LEU A 699
 None
 1.06A 4wg0G-4xmvA:
undetectable
4wg0H-4xmvA:
undetectable
4wg0I-4xmvA:
undetectable		 4wg0G-4xmvA:
1.38
4wg0H-4xmvA:
1.38
4wg0I-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.
4ynq THREE-PRIME REPAIR
EXONUCLEASE 1

(Mus musculus) 		no annotation 5 ALA A 105
LEU A 108
GLU A 137
LEU A  34
LEU A  67
 None
 1.19A 4wg0G-4ynqA:
undetectable
4wg0H-4ynqA:
undetectable
4wg0I-4ynqA:
undetectable		 4wg0G-4ynqA:
6.70
4wg0H-4ynqA:
6.70
4wg0I-4ynqA:
6.70
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.
4ynq THREE-PRIME REPAIR
EXONUCLEASE 1

(Mus musculus) 		no annotation 5 LEU A  67
GLU A  33
LEU A  69
LEU A 104
LEU A 107
 None
 1.16A 4wg0G-4ynqA:
undetectable
4wg0H-4ynqA:
undetectable
4wg0I-4ynqA:
undetectable		 4wg0G-4ynqA:
6.70
4wg0H-4ynqA:
6.70
4wg0I-4ynqA:
6.70
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.
4zdl O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE

(Homo sapiens) 		PF05889
(SepSecS) 		5 ALA A 387
GLU A 361
LEU A 434
LEU A 454
LEU A 395
 None
 1.16A 4wg0G-4zdlA:
undetectable
4wg0H-4zdlA:
undetectable
4wg0I-4zdlA:
undetectable		 4wg0G-4zdlA:
4.32
4wg0H-4zdlA:
4.32
4wg0I-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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 595
GLU A 647
LEU A 649
LEU A 699
LEU A 696
 None
 1.00A 4wg0G-5a0zA:
undetectable
4wg0H-5a0zA:
undetectable
4wg0I-5a0zA:
undetectable		 4wg0G-5a0zA:
2.41
4wg0H-5a0zA:
2.41
4wg0I-5a0zA:
2.41
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.
5auo ATPASE INVOLVED IN
CHROMOSOME
PARTITIONING,
PARA/MIND FAMILY,
MRP HOMOLOG

(Thermococcus
kodakarensis) 		PF10609
(ParA) 		5 GLU B  46
LEU B  44
LEU B  40
ARG B 247
LEU B 248
 None
 1.13A 4wg0G-5auoB:
undetectable
4wg0H-5auoB:
undetectable
4wg0I-5auoB:
undetectable		 4wg0G-5auoB:
5.47
4wg0H-5auoB:
5.47
4wg0I-5auoB:
5.47
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.
5b5r GASDERMIN-A3

(Mus musculus) 		PF04598
(Gasdermin) 		5 ALA A 412
LEU A 413
LEU A 360
LEU A 352
LEU A 441
 None
 1.13A 4wg0G-5b5rA:
undetectable
4wg0H-5b5rA:
undetectable
4wg0I-5b5rA:
undetectable		 4wg0G-5b5rA:
3.51
4wg0H-5b5rA:
3.51
4wg0I-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.
5cm9 RAL GUANINE
NUCLEOTIDE
DISSOCIATION
STIMULATOR-LIKE 2

(Mus musculus) 		PF00617
(RasGEF)
PF00618
(RasGEF_N) 		5 ALA A 132
LEU A 133
LEU A 120
LEU A 100
ARG A 102
 None
 1.19A 4wg0G-5cm9A:
undetectable
4wg0H-5cm9A:
undetectable
4wg0I-5cm9A:
undetectable		 4wg0G-5cm9A:
3.19
4wg0H-5cm9A:
3.19
4wg0I-5cm9A:
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.
5dtp PROBABLE ENOYL-COA
HYDRATASE ECHA6

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 ALA A 105
LEU A 104
LEU A  24
LEU A  75
LEU A  78
 None
 1.08A 4wg0G-5dtpA:
undetectable
4wg0H-5dtpA:
undetectable
4wg0I-5dtpA:
undetectable		 4wg0G-5dtpA:
4.90
4wg0H-5dtpA:
4.90
4wg0I-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.
5f0l VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 26A

(Homo sapiens) 		PF03643
(Vps26) 		5 LEU B 149
TYR B  40
GLU B 146
LEU B 132
LEU B  18
 None
GOL  B 406 (-4.1A)
None
None
None
 0.75A 4wg0G-5f0lB:
undetectable
4wg0H-5f0lB:
undetectable
4wg0I-5f0lB:
undetectable		 4wg0G-5f0lB:
6.32
4wg0H-5f0lB:
6.32
4wg0I-5f0lB:
6.32
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.
5fcl CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Pectobacterium
atrosepticum) 		PF01867
(Cas_Cas1) 		5 LEU A 171
GLU A 165
LEU A 167
LEU A 201
LEU A 198
 None
 1.11A 4wg0G-5fclA:
undetectable
4wg0H-5fclA:
undetectable
4wg0I-5fclA:
undetectable		 4wg0G-5fclA:
4.20
4wg0H-5fclA:
4.20
4wg0I-5fclA:
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.
5guj DNA PRIMASE

(Bacillus
subtilis) 		PF08275
(Toprim_N)
PF10410
(DnaB_bind)
PF13155
(Toprim_2) 		5 LEU A 292
GLU A 326
LEU A 328
LEU A 309
LEU A 266
 None
 1.13A 4wg0G-5gujA:
undetectable
4wg0H-5gujA:
undetectable
4wg0I-5gujA:
undetectable		 4wg0G-5gujA:
3.51
4wg0H-5gujA:
3.51
4wg0I-5gujA:
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.
5hax NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF08801
(Nucleoporin_N) 		5 ALA A 614
LEU A 615
LEU A 676
LEU A 724
LEU A 720
 None
 1.13A 4wg0G-5haxA:
undetectable
4wg0H-5haxA:
undetectable
4wg0I-5haxA:
undetectable		 4wg0G-5haxA:
1.82
4wg0H-5haxA:
1.82
4wg0I-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.
5ikn THIOREDOXIN-1

(Escherichia
coli) 		PF00085
(Thioredoxin) 		5 GLU K  44
LEU K  42
LEU K  99
LEU K 103
LEU K  24
 None
 1.01A 4wg0G-5iknK:
undetectable
4wg0H-5iknK:
undetectable
4wg0I-5iknK:
undetectable		 4wg0G-5iknK:
7.62
4wg0H-5iknK:
7.62
4wg0I-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.
5iy6 GENERAL
TRANSCRIPTION FACTOR
IIF SUBUNIT 2

(Homo sapiens) 		PF02270
(TFIIF_beta) 		5 LEU T 213
GLU T 219
LYS T 218
LEU T 217
LEU T 199
 None
 1.08A 4wg0G-5iy6T:
undetectable
4wg0H-5iy6T:
undetectable
4wg0I-5iy6T:
undetectable		 4wg0G-5iy6T:
5.78
4wg0H-5iy6T:
5.78
4wg0I-5iy6T:
5.78
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.
5op0 DNA POLYMERASE LIGD,
POLYMERASE DOMAIN

(Mycolicibacterium
smegmatis) 		no annotation 5 ALA B 202
LEU B 203
LEU B 185
LEU B 169
LEU B 164
 None
 0.96A 4wg0G-5op0B:
undetectable
4wg0H-5op0B:
undetectable
4wg0I-5op0B:
undetectable		 4wg0G-5op0B:
6.91
4wg0H-5op0B:
6.91
4wg0I-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 ALA A  59
LEU A  58
TYR A  61
LEU A  88
LEU A  84
 None
 0.91A 4wg0G-5ovtA:
undetectable
4wg0H-5ovtA:
undetectable
4wg0I-5ovtA:
undetectable		 4wg0G-5ovtA:
undetectable
4wg0H-5ovtA:
undetectable
4wg0I-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.
5t88 PROLYL ENDOPEPTIDASE

(Pyrococcus
furiosus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ALA A 285
LEU A 293
LEU A 304
LEU A 325
LEU A 337
 None
 1.06A 4wg0G-5t88A:
undetectable
4wg0H-5t88A:
undetectable
4wg0I-5t88A:
undetectable		 4wg0G-5t88A:
2.45
4wg0H-5t88A:
2.45
4wg0I-5t88A:
2.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tub SHARK TBC1D15
GTPASE-ACTIVATING
PROTEIN

(Squalimorphii) 		PF00566
(RabGAP-TBC) 		5 ALA A 627
LEU A 584
TYR A 631
LEU A 525
LEU A 648
 None
 1.16A 4wg0G-5tubA:
undetectable
4wg0H-5tubA:
undetectable
4wg0I-5tubA:
undetectable		 4wg0G-5tubA:
3.17
4wg0H-5tubA:
3.17
4wg0I-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.
5xft DEHYDROASCORBATE
REDUCTASE

(Chlamydomonas
reinhardtii) 		no annotation 5 ALA A 189
LEU A 188
TYR A 187
LEU A 177
LEU A 162
 None
 1.16A 4wg0G-5xftA:
undetectable
4wg0H-5xftA:
undetectable
4wg0I-5xftA:
undetectable		 4wg0G-5xftA:
undetectable
4wg0H-5xftA:
undetectable
4wg0I-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 ALA A  80
LEU A  79
LEU A  31
LEU A 110
LEU A  40
 None
 1.03A 4wg0G-5xohA:
undetectable
4wg0H-5xohA:
undetectable
4wg0I-5xohA:
undetectable		 4wg0G-5xohA:
undetectable
4wg0H-5xohA:
undetectable
4wg0I-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 ALA A2195
LEU A2196
LEU A2212
LEU A2251
LEU A2252
 None
 0.98A 4wg0G-5y4dA:
undetectable
4wg0H-5y4dA:
undetectable
4wg0I-5y4dA:
undetectable		 4wg0G-5y4dA:
1.38
4wg0H-5y4dA:
1.38
4wg0I-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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 5 LEU A 316
LEU A 303
ASN A 298
LEU A 299
LEU A 272
 None
 1.16A 4wg0G-6c7sA:
undetectable
4wg0H-6c7sA:
undetectable
4wg0I-6c7sA:
undetectable		 4wg0G-6c7sA:
undetectable
4wg0H-6c7sA:
undetectable
4wg0I-6c7sA:
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.
6cn0 16S RRNA
(GUANINE(1405)-N(7))
-METHYLTRANSFERASE

(Proteus
mirabilis) 		no annotation 5 ALA A 215
GLU A 223
LEU A 221
LEU A 262
LEU A 257
 None
 1.17A 4wg0G-6cn0A:
undetectable
4wg0H-6cn0A:
undetectable
4wg0I-6cn0A:
undetectable		 4wg0G-6cn0A:
undetectable
4wg0H-6cn0A:
undetectable
4wg0I-6cn0A:
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 ALA A 147
LEU A 146
LEU A 109
ARG A 274
LEU A 275
 None
 0.93A 4wg0G-6en3A:
undetectable
4wg0H-6en3A:
undetectable
4wg0I-6en3A:
undetectable		 4wg0G-6en3A:
undetectable
4wg0H-6en3A:
undetectable
4wg0I-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.
6guo -

(-) 		no annotation 5 ALA A 170
LEU A 174
GLU A 201
LEU A 264
LEU A 270
 None
 1.17A 4wg0G-6guoA:
undetectable
4wg0H-6guoA:
undetectable
4wg0I-6guoA:
undetectable		 4wg0G-6guoA:
undetectable
4wg0H-6guoA:
undetectable
4wg0I-6guoA:
undetectable