SIMILAR PATTERNS OF AMINO ACIDS FOR 4WG0_M_CHDM103_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.
1aep APOLIPOPHORIN III

(Locusta
migratoria) 		no annotation 5 GLU A  27
LEU A  29
GLU A  24
LEU A  41
LEU A  94
 None
 1.09A 4wg0K-1aepA:
undetectable
4wg0L-1aepA:
undetectable
4wg0M-1aepA:
undetectable		 4wg0K-1aepA:
7.83
4wg0L-1aepA:
7.83
4wg0M-1aepA:
7.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bwd PROTEIN
(INOSAMINE-PHOSPHATE
AMIDINOTRANSFERASE)

(Streptomyces
griseus) 		no annotation 5 ALA A  69
LEU A  72
GLU A  15
LEU A  13
LEU A 288
 None
 1.12A 4wg0K-1bwdA:
undetectable
4wg0L-1bwdA:
undetectable
4wg0M-1bwdA:
undetectable		 4wg0K-1bwdA:
2.97
4wg0L-1bwdA:
2.97
4wg0M-1bwdA:
2.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.99A 4wg0K-1cttA:
undetectable
4wg0L-1cttA:
undetectable
4wg0M-1cttA:
undetectable		 4wg0K-1cttA:
6.47
4wg0L-1cttA:
6.47
4wg0M-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
 0.99A 4wg0K-1f51A:
undetectable
4wg0L-1f51A:
undetectable
4wg0M-1f51A:
undetectable		 4wg0K-1f51A:
5.45
4wg0L-1f51A:
5.45
4wg0M-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.
1g59 GLUTAMYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00749
(tRNA-synt_1c) 		5 ALA A 414
LEU A 416
GLU A 409
LEU A 451
LEU A 401
 None
 1.10A 4wg0K-1g59A:
undetectable
4wg0L-1g59A:
undetectable
4wg0M-1g59A:
undetectable		 4wg0K-1g59A:
2.18
4wg0L-1g59A:
2.18
4wg0M-1g59A:
2.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jft PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		5 LEU A 134
TYR A 137
GLU A 128
LEU A 130
LEU A 108
 None
 1.04A 4wg0K-1jftA:
undetectable
4wg0L-1jftA:
undetectable
4wg0M-1jftA:
undetectable		 4wg0K-1jftA:
3.90
4wg0L-1jftA:
3.90
4wg0M-1jftA:
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.
1jy1 TYROSYL-DNA
PHOSPHODIESTERASE

(Homo sapiens) 		PF06087
(Tyr-DNA_phospho) 		5 LEU A 439
TYR A 476
LEU A 517
LEU A 404
LEU A 412
 None
 1.06A 4wg0K-1jy1A:
undetectable
4wg0L-1jy1A:
undetectable
4wg0M-1jy1A:
undetectable		 4wg0K-1jy1A:
2.94
4wg0L-1jy1A:
2.94
4wg0M-1jy1A:
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.
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
 0.73A 4wg0K-1m9sA:
undetectable
4wg0L-1m9sA:
undetectable
4wg0M-1m9sA:
undetectable		 4wg0K-1m9sA:
2.49
4wg0L-1m9sA:
2.49
4wg0M-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.
1mbx ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT CLP A

(Escherichia
coli) 		PF02861
(Clp_N) 		5 LEU A 109
GLU A  42
LEU A  44
LEU A  35
LEU A  31
 None
YBT  A 211 (-2.4A)
None
None
None
 1.13A 4wg0K-1mbxA:
undetectable
4wg0L-1mbxA:
undetectable
4wg0M-1mbxA:
undetectable		 4wg0K-1mbxA:
8.21
4wg0L-1mbxA:
8.21
4wg0M-1mbxA:
8.21
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.
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
 1.05A 4wg0K-1nneA:
undetectable
4wg0L-1nneA:
undetectable
4wg0M-1nneA:
undetectable		 4wg0K-1nneA:
3.44
4wg0L-1nneA:
3.44
4wg0M-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
 1.13A 4wg0K-1oroA:
undetectable
4wg0L-1oroA:
undetectable
4wg0M-1oroA:
undetectable		 4wg0K-1oroA:
10.48
4wg0L-1oroA:
10.48
4wg0M-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.
1r3f TRNA PSEUDOURIDINE
SYNTHASE B

(Escherichia
coli) 		PF01509
(TruB_N)
PF09157
(TruB-C_2)
PF16198
(TruB_C_2) 		5 ALA A 105
LEU A 108
GLU A 164
LEU A 168
LEU A  82
 None
 1.01A 4wg0K-1r3fA:
undetectable
4wg0L-1r3fA:
undetectable
4wg0M-1r3fA:
undetectable		 4wg0K-1r3fA:
4.01
4wg0L-1r3fA:
4.01
4wg0M-1r3fA:
4.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tx4 P50-RHOGAP

(Homo sapiens) 		PF00620
(RhoGAP) 		5 LEU A 171
TYR A 168
LEU A 226
LEU A 233
LEU A 160
 None
 0.94A 4wg0K-1tx4A:
undetectable
4wg0L-1tx4A:
undetectable
4wg0M-1tx4A:
undetectable		 4wg0K-1tx4A:
6.94
4wg0L-1tx4A:
6.94
4wg0M-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.
1u0m PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 246
GLU A 252
LEU A 250
LEU A 284
LEU A 280
 None
 0.81A 4wg0K-1u0mA:
undetectable
4wg0L-1u0mA:
undetectable
4wg0M-1u0mA:
undetectable		 4wg0K-1u0mA:
4.09
4wg0L-1u0mA:
4.09
4wg0M-1u0mA:
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.
1u0n PLATELET
GLYCOPROTEIN IB

(Homo sapiens) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 LEU D  29
LEU D  25
ASN D  41
LEU D  38
LEU D  36
 None
 1.08A 4wg0K-1u0nD:
undetectable
4wg0L-1u0nD:
undetectable
4wg0M-1u0nD:
undetectable		 4wg0K-1u0nD:
5.38
4wg0L-1u0nD:
5.38
4wg0M-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.
1udx THE GTP-BINDING
PROTEIN OBG

(Thermus
thermophilus) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1)
PF09269
(DUF1967) 		5 GLU A 297
LEU A 299
GLU A 254
LEU A 268
ARG A 269
 None
 0.95A 4wg0K-1udxA:
undetectable
4wg0L-1udxA:
undetectable
4wg0M-1udxA:
undetectable		 4wg0K-1udxA:
3.23
4wg0L-1udxA:
3.23
4wg0M-1udxA:
3.23
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.
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
 0.99A 4wg0K-1v9cA:
undetectable
4wg0L-1v9cA:
undetectable
4wg0M-1v9cA:
undetectable		 4wg0K-1v9cA:
5.80
4wg0L-1v9cA:
5.80
4wg0M-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.
1vdk FUMARATE HYDRATASE
CLASS II

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ALA A 381
GLU A 165
LEU A 208
LEU A 284
LEU A 288
 None
 1.12A 4wg0K-1vdkA:
undetectable
4wg0L-1vdkA:
undetectable
4wg0M-1vdkA:
undetectable		 4wg0K-1vdkA:
2.16
4wg0L-1vdkA:
2.16
4wg0M-1vdkA:
2.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.09A 4wg0K-1w36C:
undetectable
4wg0L-1w36C:
undetectable
4wg0M-1w36C:
undetectable		 4wg0K-1w36C:
1.29
4wg0L-1w36C:
1.29
4wg0M-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
 1.05A 4wg0K-1wy9A:
undetectable
4wg0L-1wy9A:
undetectable
4wg0M-1wy9A:
undetectable		 4wg0K-1wy9A:
6.09
4wg0L-1wy9A:
6.09
4wg0M-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.
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
 0.79A 4wg0K-2c1uA:
undetectable
4wg0L-2c1uA:
undetectable
4wg0M-2c1uA:
undetectable		 4wg0K-2c1uA:
3.59
4wg0L-2c1uA:
3.59
4wg0M-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.
2cu2 PUTATIVE
MANNOSE-1-PHOSPHATE
GUANYLYL TRANSFERASE

(Thermus
thermophilus) 		PF00483
(NTP_transferase) 		5 GLU A 223
LEU A 221
LEU A 215
LEU A  89
LEU A  90
 None
 0.97A 4wg0K-2cu2A:
undetectable
4wg0L-2cu2A:
undetectable
4wg0M-2cu2A:
undetectable		 4wg0K-2cu2A:
3.42
4wg0L-2cu2A:
3.42
4wg0M-2cu2A:
3.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dby GTP-BINDING PROTEIN

(Thermus
thermophilus) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 GLU A 259
ALA A 263
TYR A 264
GLU A 256
LEU A 249
 None
 1.04A 4wg0K-2dbyA:
undetectable
4wg0L-2dbyA:
undetectable
4wg0M-2dbyA:
undetectable		 4wg0K-2dbyA:
3.39
4wg0L-2dbyA:
3.39
4wg0M-2dbyA:
3.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2een HYPOTHETICAL PROTEIN
PH1819

(Pyrococcus
horikoshii) 		PF01928
(CYTH) 		5 ALA A  48
LEU A  49
GLU A  82
LEU A  64
LEU A  96
 None
 0.85A 4wg0K-2eenA:
undetectable
4wg0L-2eenA:
undetectable
4wg0M-2eenA:
undetectable		 4wg0K-2eenA:
7.59
4wg0L-2eenA:
7.59
4wg0M-2eenA:
7.59
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.
2es6 VTS1P

(Saccharomyces
cerevisiae) 		PF07647
(SAM_2) 		5 ALA A 471
LEU A 472
GLU A 489
LEU A 488
LEU A 480
 None
 1.16A 4wg0K-2es6A:
undetectable
4wg0L-2es6A:
undetectable
4wg0M-2es6A:
undetectable		 4wg0K-2es6A:
11.11
4wg0L-2es6A:
11.11
4wg0M-2es6A:
11.11
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.
2fyl ALPHA-2-MACROGLOBULI
N
RECEPTOR-ASSOCIATED
PROTEIN

(Homo sapiens) 		PF06400
(Alpha-2-MRAP_N) 		5 LEU A  90
TYR A  88
LEU A  28
LEU A  49
LEU A  45
 None
 1.11A 4wg0K-2fylA:
undetectable
4wg0L-2fylA:
undetectable
4wg0M-2fylA:
undetectable		 4wg0K-2fylA:
12.50
4wg0L-2fylA:
12.50
4wg0M-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.
2gs9 HYPOTHETICAL PROTEIN
TT1324

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 GLU A 135
ALA A 205
LEU A 206
LEU A 208
ARG A  29
 None
 1.06A 4wg0K-2gs9A:
undetectable
4wg0L-2gs9A:
undetectable
4wg0M-2gs9A:
undetectable		 4wg0K-2gs9A:
3.32
4wg0L-2gs9A:
3.32
4wg0M-2gs9A:
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.
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 4wg0K-2h8oA:
undetectable
4wg0L-2h8oA:
undetectable
4wg0M-2h8oA:
undetectable		 4wg0K-2h8oA:
3.90
4wg0L-2h8oA:
3.90
4wg0M-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.
2in3 HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF01323
(DSBA) 		5 LEU A   8
TYR A  33
LEU A 178
LEU A 199
LEU A 203
 None
 1.15A 4wg0K-2in3A:
undetectable
4wg0L-2in3A:
undetectable
4wg0M-2in3A:
undetectable		 4wg0K-2in3A:
4.78
4wg0L-2in3A:
4.78
4wg0M-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
 1.12A 4wg0K-2jadA:
undetectable
4wg0L-2jadA:
undetectable
4wg0M-2jadA:
undetectable		 4wg0K-2jadA:
5.21
4wg0L-2jadA:
5.21
4wg0M-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 ALA A 229
LEU A 226
LEU A 222
LEU A 146
LEU A 207
 None
 0.97A 4wg0K-2jh3A:
undetectable
4wg0L-2jh3A:
undetectable
4wg0M-2jh3A:
undetectable		 4wg0K-2jh3A:
2.49
4wg0L-2jh3A:
2.49
4wg0M-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
 1.13A 4wg0K-2jzkA:
undetectable
4wg0L-2jzkA:
undetectable
4wg0M-2jzkA:
undetectable		 4wg0K-2jzkA:
19.05
4wg0L-2jzkA:
19.05
4wg0M-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.
2pqq PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00027
(cNMP_binding) 		5 GLU A  98
ALA A  32
LEU A  31
GLU A  52
LEU A 101
 None
 0.96A 4wg0K-2pqqA:
undetectable
4wg0L-2pqqA:
undetectable
4wg0M-2pqqA:
undetectable		 4wg0K-2pqqA:
7.19
4wg0L-2pqqA:
7.19
4wg0M-2pqqA:
7.19
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.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		5 GLU A 280
LYS A 281
LEU A 284
LEU A 268
LEU A 260
 None
 0.70A 4wg0K-2q01A:
undetectable
4wg0L-2q01A:
undetectable
4wg0M-2q01A:
undetectable		 4wg0K-2q01A:
2.11
4wg0L-2q01A:
2.11
4wg0M-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.
2wqw INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 ALA A 307
LEU A 237
ASN A 261
LEU A 223
LEU A 226
 None
 1.16A 4wg0K-2wqwA:
undetectable
4wg0L-2wqwA:
undetectable
4wg0M-2wqwA:
undetectable		 4wg0K-2wqwA:
9.00
4wg0L-2wqwA:
9.00
4wg0M-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.
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
 0.81A 4wg0K-2wqwA:
undetectable
4wg0L-2wqwA:
undetectable
4wg0M-2wqwA:
undetectable		 4wg0K-2wqwA:
9.00
4wg0L-2wqwA:
9.00
4wg0M-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
 1.04A 4wg0K-2y5qA:
undetectable
4wg0L-2y5qA:
undetectable
4wg0M-2y5qA:
undetectable		 4wg0K-2y5qA:
8.57
4wg0L-2y5qA:
8.57
4wg0M-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
 0.84A 4wg0K-2y5qA:
undetectable
4wg0L-2y5qA:
undetectable
4wg0M-2y5qA:
undetectable		 4wg0K-2y5qA:
8.57
4wg0L-2y5qA:
8.57
4wg0M-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.
2yk0 ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding)
PF15447
(NTS) 		5 LEU A  48
GLU A 254
LYS A 251
LEU A 252
LEU A 232
 None
 1.01A 4wg0K-2yk0A:
undetectable
4wg0L-2yk0A:
undetectable
4wg0M-2yk0A:
undetectable		 4wg0K-2yk0A:
2.88
4wg0L-2yk0A:
2.88
4wg0M-2yk0A:
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.
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
 1.08A 4wg0K-2yqyA:
undetectable
4wg0L-2yqyA:
undetectable
4wg0M-2yqyA:
undetectable		 4wg0K-2yqyA:
8.53
4wg0L-2yqyA:
8.53
4wg0M-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.
2z3t CYTOCHROME P450

(Streptomyces
sp. TP-A0274) 		PF00067
(p450) 		5 LEU A 294
GLU A 375
LEU A 378
LEU A 280
LEU A 270
 None
 1.10A 4wg0K-2z3tA:
undetectable
4wg0L-2z3tA:
undetectable
4wg0M-2z3tA:
undetectable		 4wg0K-2z3tA:
4.02
4wg0L-2z3tA:
4.02
4wg0M-2z3tA:
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.
2zds PUTATIVE DNA-BINDING
PROTEIN

(Streptomyces
coelicolor) 		PF01261
(AP_endonuc_2)
PF07582
(AP_endonuc_2_N) 		5 LEU A  33
GLU A  41
LEU A  16
LEU A  58
LEU A  59
 None
 1.12A 4wg0K-2zdsA:
undetectable
4wg0L-2zdsA:
undetectable
4wg0M-2zdsA:
undetectable		 4wg0K-2zdsA:
12.20
4wg0L-2zdsA:
12.20
4wg0M-2zdsA:
12.20
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.
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 4wg0K-2zyjA:
undetectable
4wg0L-2zyjA:
undetectable
4wg0M-2zyjA:
undetectable		 4wg0K-2zyjA:
3.19
4wg0L-2zyjA:
3.19
4wg0M-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.
3cio TYROSINE-PROTEIN
KINASE ETK

(Escherichia
coli) 		PF13614
(AAA_31) 		5 ALA A 592
LEU A 591
GLU A 623
LEU A 625
ARG A 614
 None
 1.09A 4wg0K-3cioA:
undetectable
4wg0L-3cioA:
undetectable
4wg0M-3cioA:
undetectable		 4wg0K-3cioA:
6.51
4wg0L-3cioA:
6.51
4wg0M-3cioA:
6.51
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.
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
 1.05A 4wg0K-3fmpB:
undetectable
4wg0L-3fmpB:
undetectable
4wg0M-3fmpB:
undetectable		 4wg0K-3fmpB:
2.88
4wg0L-3fmpB:
2.88
4wg0M-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
 1.09A 4wg0K-3fmsA:
undetectable
4wg0L-3fmsA:
undetectable
4wg0M-3fmsA:
undetectable		 4wg0K-3fmsA:
9.52
4wg0L-3fmsA:
9.52
4wg0M-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
 1.04A 4wg0K-3fs1A:
undetectable
4wg0L-3fs1A:
undetectable
4wg0M-3fs1A:
undetectable		 4wg0K-3fs1A:
11.58
4wg0L-3fs1A:
11.58
4wg0M-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.
3i6d PROTOPORPHYRINOGEN
OXIDASE

(Bacillus
subtilis) 		PF01593
(Amino_oxidase) 		5 ALA A  21
TYR A  23
GLU A 242
LEU A  81
LEU A  77
 None
 1.15A 4wg0K-3i6dA:
undetectable
4wg0L-3i6dA:
undetectable
4wg0M-3i6dA:
undetectable		 4wg0K-3i6dA:
3.93
4wg0L-3i6dA:
3.93
4wg0M-3i6dA:
3.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 4wg0K-3isaA:
undetectable
4wg0L-3isaA:
undetectable
4wg0M-3isaA:
undetectable		 4wg0K-3isaA:
6.47
4wg0L-3isaA:
6.47
4wg0M-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.
3jtn ADAPTER PROTEIN MECA
2

(Bacillus
subtilis) 		PF05389
(MecA) 		5 ALA A  57
LEU A  56
GLU A  50
ARG A  22
LEU A  20
 None
 1.09A 4wg0K-3jtnA:
undetectable
4wg0L-3jtnA:
undetectable
4wg0M-3jtnA:
undetectable		 4wg0K-3jtnA:
10.00
4wg0L-3jtnA:
10.00
4wg0M-3jtnA:
10.00
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.
3lra DISKS LARGE HOMOLOG
1, MAGUK P55
SUBFAMILY MEMBER 7,
PROTEIN LIN-7
HOMOLOG C

(Homo sapiens) 		PF02828
(L27)
PF09058
(L27_1) 		5 LEU A 212
GLU A 156
LEU A 160
LEU A 148
LEU A 144
 None
 1.03A 4wg0K-3lraA:
undetectable
4wg0L-3lraA:
undetectable
4wg0M-3lraA:
undetectable		 4wg0K-3lraA:
4.35
4wg0L-3lraA:
4.35
4wg0M-3lraA:
4.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 4wg0K-3mzvA:
undetectable
4wg0L-3mzvA:
undetectable
4wg0M-3mzvA:
undetectable		 4wg0K-3mzvA:
5.02
4wg0L-3mzvA:
5.02
4wg0M-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.
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
 1.04A 4wg0K-3pkoA:
undetectable
4wg0L-3pkoA:
undetectable
4wg0M-3pkoA:
undetectable		 4wg0K-3pkoA:
2.99
4wg0L-3pkoA:
2.99
4wg0M-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 4wg0K-3s6fA:
undetectable
4wg0L-3s6fA:
undetectable
4wg0M-3s6fA:
undetectable		 4wg0K-3s6fA:
8.62
4wg0L-3s6fA:
8.62
4wg0M-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
 1.00A 4wg0K-3s6kA:
undetectable
4wg0L-3s6kA:
undetectable
4wg0M-3s6kA:
undetectable		 4wg0K-3s6kA:
3.33
4wg0L-3s6kA:
3.33
4wg0M-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.
3teb ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE

(Leptotrichia
buccalis) 		PF03372
(Exo_endo_phos) 		5 ALA A  24
LEU A  23
GLU A 249
LYS A 248
LEU A   4
 None
 1.09A 4wg0K-3tebA:
undetectable
4wg0L-3tebA:
undetectable
4wg0M-3tebA:
undetectable		 4wg0K-3tebA:
3.85
4wg0L-3tebA:
3.85
4wg0M-3tebA:
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.
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
 0.97A 4wg0K-3tmaA:
undetectable
4wg0L-3tmaA:
undetectable
4wg0M-3tmaA:
undetectable		 4wg0K-3tmaA:
4.20
4wg0L-3tmaA:
4.20
4wg0M-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.
3u0o SELENIDE, WATER
DIKINASE

(Escherichia
coli) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ALA A 244
GLU A 239
LEU A 237
LEU A 306
LEU A 174
 None
 1.13A 4wg0K-3u0oA:
undetectable
4wg0L-3u0oA:
undetectable
4wg0M-3u0oA:
undetectable		 4wg0K-3u0oA:
2.81
4wg0L-3u0oA:
2.81
4wg0M-3u0oA:
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.
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
 1.13A 4wg0K-3u3yB:
undetectable
4wg0L-3u3yB:
undetectable
4wg0M-3u3yB:
undetectable		 4wg0K-3u3yB:
5.88
4wg0L-3u3yB:
5.88
4wg0M-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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A1214
TYR A1209
GLU A1124
LEU A1123
LEU A1220
 None
 1.07A 4wg0K-3va7A:
undetectable
4wg0L-3va7A:
undetectable
4wg0M-3va7A:
undetectable		 4wg0K-3va7A:
3.45
4wg0L-3va7A:
3.45
4wg0M-3va7A:
3.45
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.
3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB

(Aspergillus
oryzae) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A 373
LEU A 372
LEU A 370
LEU A 356
LEU A 353
 None
 1.06A 4wg0K-3wxyA:
undetectable
4wg0L-3wxyA:
undetectable
4wg0M-3wxyA:
undetectable		 4wg0K-3wxyA:
3.08
4wg0L-3wxyA:
3.08
4wg0M-3wxyA:
3.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fzw 2,3-DEHYDROADIPYL-CO
A HYDRATASE

(Escherichia
coli) 		PF00378
(ECH_1) 		5 GLU A 109
LEU A 110
LEU A  26
LEU A  31
LEU A  34
 GOL  A 301 (-3.8A)
None
None
None
None
 1.03A 4wg0K-4fzwA:
undetectable
4wg0L-4fzwA:
undetectable
4wg0M-4fzwA:
undetectable		 4wg0K-4fzwA:
4.65
4wg0L-4fzwA:
4.65
4wg0M-4fzwA:
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.
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
 1.15A 4wg0K-4gr4A:
undetectable
4wg0L-4gr4A:
undetectable
4wg0M-4gr4A:
undetectable		 4wg0K-4gr4A:
2.24
4wg0L-4gr4A:
2.24
4wg0M-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
 1.12A 4wg0K-4gr5A:
undetectable
4wg0L-4gr5A:
undetectable
4wg0M-4gr5A:
undetectable		 4wg0K-4gr5A:
2.24
4wg0L-4gr5A:
2.24
4wg0M-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 4wg0K-4ha6A:
undetectable
4wg0L-4ha6A:
undetectable
4wg0M-4ha6A:
undetectable		 4wg0K-4ha6A:
2.63
4wg0L-4ha6A:
2.63
4wg0M-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.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 ALA B  45
LEU B  44
LEU B  56
ASN B 322
LEU B 318
 None
 1.15A 4wg0K-4hdsB:
undetectable
4wg0L-4hdsB:
undetectable
4wg0M-4hdsB:
undetectable		 4wg0K-4hdsB:
2.59
4wg0L-4hdsB:
2.59
4wg0M-4hdsB:
2.59
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 GLU A 947
LEU A 908
TYR A 979
LEU A 898
LEU A 669
 None
 1.11A 4wg0K-4iugA:
undetectable
4wg0L-4iugA:
undetectable
4wg0M-4iugA:
undetectable		 4wg0K-4iugA:
1.78
4wg0L-4iugA:
1.78
4wg0M-4iugA:
1.78
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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 ALA A 207
LEU A 208
LEU A  47
LEU A 277
ARG A 278
 None
 0.95A 4wg0K-4llsA:
undetectable
4wg0L-4llsA:
undetectable
4wg0M-4llsA:
undetectable		 4wg0K-4llsA:
4.65
4wg0L-4llsA:
4.65
4wg0M-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.
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
 0.99A 4wg0K-4oahA:
undetectable
4wg0L-4oahA:
undetectable
4wg0M-4oahA:
undetectable		 4wg0K-4oahA:
6.74
4wg0L-4oahA:
6.74
4wg0M-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.
4peq RIBONUCLEASE/ANGIOGE
NIN INHIBITOR 1

(Bos taurus) 		PF13516
(LRR_6) 		5 LEU B  87
GLU B  55
LEU B  85
LEU B  75
LEU B  72
 None
 1.07A 4wg0K-4peqB:
undetectable
4wg0L-4peqB:
undetectable
4wg0M-4peqB:
undetectable		 4wg0K-4peqB:
5.61
4wg0L-4peqB:
5.61
4wg0M-4peqB:
5.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ALA A 646
TYR A 641
LEU A 633
ARG A 896
LEU A 567
 None
 1.03A 4wg0K-4qiwA:
undetectable
4wg0L-4qiwA:
undetectable
4wg0M-4qiwA:
undetectable		 4wg0K-4qiwA:
2.06
4wg0L-4qiwA:
2.06
4wg0M-4qiwA:
2.06
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.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 533
TYR A 509
GLU A 488
LEU A 553
LEU A 515
 None
 1.14A 4wg0K-4rcnA:
undetectable
4wg0L-4rcnA:
undetectable
4wg0M-4rcnA:
undetectable		 4wg0K-4rcnA:
1.74
4wg0L-4rcnA:
1.74
4wg0M-4rcnA:
1.74
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.
4rly NAV1.2 - ANKB
CHIMERA

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 ALA A2067
LEU A2068
GLU A2082
LEU A2084
LEU A2116
 None
 1.05A 4wg0K-4rlyA:
undetectable
4wg0L-4rlyA:
undetectable
4wg0M-4rlyA:
undetectable		 4wg0K-4rlyA:
6.31
4wg0L-4rlyA:
6.31
4wg0M-4rlyA:
6.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rly NAV1.2 - ANKB
CHIMERA

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 ALA A2195
LEU A2196
LEU A2212
LEU A2251
LEU A2252
 None
None
None
SO4  A2406 (-4.2A)
None
 1.04A 4wg0K-4rlyA:
undetectable
4wg0L-4rlyA:
undetectable
4wg0M-4rlyA:
undetectable		 4wg0K-4rlyA:
6.31
4wg0L-4rlyA:
6.31
4wg0M-4rlyA:
6.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 4wg0K-4u63A:
undetectable
4wg0L-4u63A:
undetectable
4wg0M-4u63A:
undetectable		 4wg0K-4u63A:
4.66
4wg0L-4u63A:
4.66
4wg0M-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.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli) 		PF05845
(PhnH) 		5 ALA B  92
LEU B  52
ASN B  74
LEU B  77
ARG B  78
 None
 1.08A 4wg0K-4xb6B:
undetectable
4wg0L-4xb6B:
undetectable
4wg0M-4xb6B:
undetectable		 4wg0K-4xb6B:
5.75
4wg0L-4xb6B:
5.75
4wg0M-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 GLU A 655
ALA A 658
LEU A 657
TYR A 660
LEU A 699
 None
 1.10A 4wg0K-4xmvA:
undetectable
4wg0L-4xmvA:
undetectable
4wg0M-4xmvA:
undetectable		 4wg0K-4xmvA:
1.38
4wg0L-4xmvA:
1.38
4wg0M-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.
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
 0.92A 4wg0K-5a0zA:
undetectable
4wg0L-5a0zA:
undetectable
4wg0M-5a0zA:
undetectable		 4wg0K-5a0zA:
2.41
4wg0L-5a0zA:
2.41
4wg0M-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.
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 4wg0K-5b5rA:
undetectable
4wg0L-5b5rA:
undetectable
4wg0M-5b5rA:
undetectable		 4wg0K-5b5rA:
3.51
4wg0L-5b5rA:
3.51
4wg0M-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 ALA A 105
LEU A 104
LEU A  24
LEU A  75
LEU A  78
 None
 1.06A 4wg0K-5dtpA:
undetectable
4wg0L-5dtpA:
undetectable
4wg0M-5dtpA:
undetectable		 4wg0K-5dtpA:
4.90
4wg0L-5dtpA:
4.90
4wg0M-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
 0.80A 4wg0K-5f0lB:
undetectable
4wg0L-5f0lB:
undetectable
4wg0M-5f0lB:
undetectable		 4wg0K-5f0lB:
6.32
4wg0L-5f0lB:
6.32
4wg0M-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
 1.13A 4wg0K-5fclA:
undetectable
4wg0L-5fclA:
undetectable
4wg0M-5fclA:
undetectable		 4wg0K-5fclA:
4.20
4wg0L-5fclA:
4.20
4wg0M-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
 1.08A 4wg0K-5gujA:
undetectable
4wg0L-5gujA:
undetectable
4wg0M-5gujA:
undetectable		 4wg0K-5gujA:
3.51
4wg0L-5gujA:
3.51
4wg0M-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.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		5 ALA A  30
LEU A  34
LEU A  70
LEU A  51
LEU A  47
 None
 1.00A 4wg0K-5h2vA:
undetectable
4wg0L-5h2vA:
undetectable
4wg0M-5h2vA:
undetectable		 4wg0K-5h2vA:
1.22
4wg0L-5h2vA:
1.22
4wg0M-5h2vA:
1.22
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A1214
TYR A1209
GLU A1124
LEU A1123
LEU A1220
 None
 1.07A 4wg0K-5i8iA:
undetectable
4wg0L-5i8iA:
undetectable
4wg0M-5i8iA:
undetectable		 4wg0K-5i8iA:
2.71
4wg0L-5i8iA:
2.71
4wg0M-5i8iA:
2.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 GLU A 949
LEU A 908
TYR A 981
LEU A 898
LEU A 669
 None
 1.10A 4wg0K-5ihrA:
undetectable
4wg0L-5ihrA:
undetectable
4wg0M-5ihrA:
undetectable		 4wg0K-5ihrA:
1.45
4wg0L-5ihrA:
1.45
4wg0M-5ihrA:
1.45
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 ALA A  71
LEU A  70
GLU A 101
LEU A 102
LEU A 326
 None
 0.99A 4wg0K-5mswA:
undetectable
4wg0L-5mswA:
undetectable
4wg0M-5mswA:
undetectable		 4wg0K-5mswA:
1.10
4wg0L-5mswA:
1.10
4wg0M-5mswA:
1.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 5 LEU A 259
GLU A 286
LEU A 290
LEU A 277
LEU A 275
 None
U  C   6 ( 4.9A)
None
None
None
 0.62A 4wg0K-5n94A:
undetectable
4wg0L-5n94A:
undetectable
4wg0M-5n94A:
undetectable		 4wg0K-5n94A:
undetectable
4wg0L-5n94A:
undetectable
4wg0M-5n94A:
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 ALA T3166
LEU T3167
LEU T3156
LEU T3140
LEU T3141
 None
 0.85A 4wg0K-5ojsT:
undetectable
4wg0L-5ojsT:
undetectable
4wg0M-5ojsT:
undetectable		 4wg0K-5ojsT:
0.35
4wg0L-5ojsT:
0.35
4wg0M-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 ALA B 202
LEU B 203
LEU B 185
LEU B 169
LEU B 164
 None
 1.00A 4wg0K-5op0B:
undetectable
4wg0L-5op0B:
undetectable
4wg0M-5op0B:
undetectable		 4wg0K-5op0B:
6.91
4wg0L-5op0B:
6.91
4wg0M-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 4wg0K-5ovtA:
undetectable
4wg0L-5ovtA:
undetectable
4wg0M-5ovtA:
undetectable		 4wg0K-5ovtA:
undetectable
4wg0L-5ovtA:
undetectable
4wg0M-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 ALA A 627
LEU A 584
TYR A 631
LEU A 525
LEU A 648
 None
 1.14A 4wg0K-5tubA:
undetectable
4wg0L-5tubA:
undetectable
4wg0M-5tubA:
undetectable		 4wg0K-5tubA:
3.17
4wg0L-5tubA:
3.17
4wg0M-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.
5wt7 PERIOSTIN

(Homo sapiens) 		no annotation 5 LEU A  33
GLU A   9
LEU A  11
LEU A  21
LEU A  24
 None
 1.11A 4wg0K-5wt7A:
undetectable
4wg0L-5wt7A:
undetectable
4wg0M-5wt7A:
undetectable		 4wg0K-5wt7A:
undetectable
4wg0L-5wt7A:
undetectable
4wg0M-5wt7A:
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.
5wzk PUMILIO HOMOLOG 23

(Arabidopsis
thaliana) 		no annotation 5 ALA A 161
GLU A 199
LEU A 201
LEU A 184
LEU A 181
 None
 1.06A 4wg0K-5wzkA:
undetectable
4wg0L-5wzkA:
undetectable
4wg0M-5wzkA:
undetectable		 4wg0K-5wzkA:
5.24
4wg0L-5wzkA:
5.24
4wg0M-5wzkA:
5.24
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.
5x9u THERMOSOME, ALPHA
SUBUNIT

(Carboxydothermus
hydrogenoformans) 		no annotation 5 GLU A 262
LEU A 260
LEU A 322
LEU A 326
LEU A 221
 None
 1.15A 4wg0K-5x9uA:
undetectable
4wg0L-5x9uA:
undetectable
4wg0M-5x9uA:
undetectable		 4wg0K-5x9uA:
3.48
4wg0L-5x9uA:
3.48
4wg0M-5x9uA:
3.48
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.
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 4wg0K-5xftA:
undetectable
4wg0L-5xftA:
undetectable
4wg0M-5xftA:
undetectable		 4wg0K-5xftA:
undetectable
4wg0L-5xftA:
undetectable
4wg0M-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
 1.02A 4wg0K-5xohA:
undetectable
4wg0L-5xohA:
undetectable
4wg0M-5xohA:
undetectable		 4wg0K-5xohA:
undetectable
4wg0L-5xohA:
undetectable
4wg0M-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.
5xxu RIBOSOMAL PROTEIN
US11
RIBOSOMAL PROTEIN
ES26

(Toxoplasma
gondii;
Toxoplasma
gondii) 		PF00411
(Ribosomal_S11)
PF00318
(Ribosomal_S2) 		5 ALA O 117
LEU O 121
LEU a  53
ASN a  43
LEU a  64
 None
 1.11A 4wg0K-5xxuO:
undetectable
4wg0L-5xxuO:
undetectable
4wg0M-5xxuO:
undetectable		 4wg0K-5xxuO:
6.00
4wg0L-5xxuO:
6.00
4wg0M-5xxuO:
6.00
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.
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
 0.96A 4wg0K-5y4dA:
undetectable
4wg0L-5y4dA:
undetectable
4wg0M-5y4dA:
undetectable		 4wg0K-5y4dA:
1.38
4wg0L-5y4dA:
1.38
4wg0M-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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 ALA A 693
LEU A 695
LEU A 881
LEU A  65
LEU A  64
 None
 1.15A 4wg0K-6eotA:
undetectable
4wg0L-6eotA:
undetectable
4wg0M-6eotA:
undetectable		 4wg0K-6eotA:
undetectable
4wg0L-6eotA:
undetectable
4wg0M-6eotA:
undetectable