SIMILAR PATTERNS OF AMINO ACIDS FOR 4WG0_L_CHDL103

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.
1aei ANNEXIN XII

(Hydra vulgaris) 		PF00191
(Annexin) 		4 LEU A  80
LEU A  83
LYS A  68
LEU A  67
 None
 0.81A 4wg0L-1aeiA:
undetectable
4wg0M-1aeiA:
undetectable		 4wg0L-1aeiA:
4.26
4wg0M-1aeiA:
4.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1au1 INTERFERON-BETA

(Homo sapiens) 		PF00143
(Interferon) 		4 LEU A 102
LEU A 106
GLU A  61
LEU A  57
 None
 0.82A 4wg0L-1au1A:
undetectable
4wg0M-1au1A:
undetectable		 4wg0L-1au1A:
5.07
4wg0M-1au1A:
5.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m9i ANNEXIN VI

(Homo sapiens) 		PF00191
(Annexin) 		4 LEU A 501
LEU A 489
GLU A 460
LEU A 462
 None
 0.81A 4wg0L-1m9iA:
undetectable
4wg0M-1m9iA:
undetectable		 4wg0L-1m9iA:
1.98
4wg0M-1m9iA:
1.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m9s INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF09479
(Flg_new)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13457
(SH3_8) 		4 ASN A 261
LEU A 223
LEU A 226
LEU A 237
 None
 0.68A 4wg0L-1m9sA:
undetectable
4wg0M-1m9sA:
undetectable		 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.
1mu2 HIV-2 RT

(Human
immunodeficiency
virus 2) 		PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		4 LEU B 279
LEU B 260
GLU B 305
LEU B 303
 None
 0.73A 4wg0L-1mu2B:
undetectable
4wg0M-1mu2B:
undetectable		 4wg0L-1mu2B:
5.45
4wg0M-1mu2B:
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.
1n31 L-CYSTEINE/CYSTINE
LYASE C-DES

(Synechocystis
sp. PCC 6714) 		PF00266
(Aminotran_5) 		4 LEU A  67
ARG A  68
LEU A  71
LEU A 285
 None
 0.81A 4wg0L-1n31A:
undetectable
4wg0M-1n31A:
undetectable		 4wg0L-1n31A:
1.55
4wg0M-1n31A:
1.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nav HORMONE RECEPTOR
ALPHA 1, THRA1

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU A 261
LEU A 374
GLU A 315
LEU A 319
 None
 0.79A 4wg0L-1navA:
undetectable
4wg0M-1navA:
undetectable		 4wg0L-1navA:
4.94
4wg0M-1navA:
4.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nne DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 LEU A  92
LEU A  33
GLU A  83
LEU A  85
 None
 0.73A 4wg0L-1nneA:
undetectable
4wg0M-1nneA:
undetectable		 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.
1odf HYPOTHETICAL 33.3
KDA PROTEIN IN
ADE3-SER2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		no annotation 4 LEU A 195
LEU A 196
GLU A 109
LEU A 111
 None
None
None
GOL  A 505 (-4.6A)
 0.78A 4wg0L-1odfA:
undetectable
4wg0M-1odfA:
undetectable		 4wg0L-1odfA:
3.83
4wg0M-1odfA:
3.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qi9 PROTEIN (VANADIUM
BROMOPEROXIDASE)

(Ascophyllum
nodosum) 		no annotation 4 LEU A 138
LEU A 134
GLU A 351
LEU A 353
 None
 0.65A 4wg0L-1qi9A:
undetectable
4wg0M-1qi9A:
undetectable		 4wg0L-1qi9A:
2.43
4wg0M-1qi9A:
2.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sbq 5,10-METHENYLTETRAHY
DROFOLATE SYNTHETASE
HOMOLOG

(Mycoplasma
pneumoniae) 		PF01812
(5-FTHF_cyc-lig) 		4 ASN A  30
LEU A  33
LEU A  37
LEU A 103
 None
 0.76A 4wg0L-1sbqA:
undetectable
4wg0M-1sbqA:
undetectable		 4wg0L-1sbqA:
6.35
4wg0M-1sbqA:
6.35
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.
1sif UBIQUITIN

(Homo sapiens) 		PF00240
(ubiquitin) 		4 LEU A  43
LEU A  67
GLU A  24
LEU A  26
 None
 0.82A 4wg0L-1sifA:
undetectable
4wg0M-1sifA:
undetectable		 4wg0L-1sifA:
12.24
4wg0M-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.
1v84 GALACTOSYLGALACTOSYL
XYLOSYLPROTEIN
3-BETA-GLUCURONOSYLT
RANSFERASE 1

(Homo sapiens) 		PF03360
(Glyco_transf_43) 		5 LEU A 133
ARG A 135
LEU A 134
LYS A  99
LEU A 102
 None
 1.15A 4wg0L-1v84A:
undetectable
4wg0M-1v84A:
undetectable		 4wg0L-1v84A:
5.22
4wg0M-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.
1wy9 ALLOGRAFT
INFLAMMATORY FACTOR
1

(Mus musculus) 		no annotation 4 LEU A 107
ARG A 108
LEU A 111
LEU A  47
 None
 0.82A 4wg0L-1wy9A:
undetectable
4wg0M-1wy9A:
undetectable		 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.
1x9n DNA LIGASE I

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 LEU A 870
LEU A 849
GLU A 843
LEU A 757
 None
 0.59A 4wg0L-1x9nA:
undetectable
4wg0M-1x9nA:
undetectable		 4wg0L-1x9nA:
2.75
4wg0M-1x9nA:
2.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xap RETINOIC ACID
RECEPTOR BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU A 264
LEU A 377
GLU A 318
LEU A 322
 None
 0.83A 4wg0L-1xapA:
undetectable
4wg0M-1xapA:
undetectable		 4wg0L-1xapA:
5.65
4wg0M-1xapA:
5.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xdk RETINOIC ACID
RECEPTOR, BETA

(Mus musculus) 		PF00104
(Hormone_recep) 		4 LEU B 264
LEU B 377
GLU B 318
LEU B 322
 None
 0.82A 4wg0L-1xdkB:
undetectable
4wg0M-1xdkB:
undetectable		 4wg0L-1xdkB:
5.60
4wg0M-1xdkB:
5.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zzh CYTOCHROME C
PEROXIDASE

(Rhodobacter
capsulatus) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		4 LEU A   5
GLU A 188
LYS A 189
LEU A 192
 None
 0.74A 4wg0L-1zzhA:
undetectable
4wg0M-1zzhA:
undetectable		 4wg0L-1zzhA:
3.74
4wg0M-1zzhA:
3.74
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.
2c1u DI-HAEM CYTOCHROME C
PEROXIDASE

(Paracoccus
pantotrophus) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 ASN A   7
LEU A  10
GLU A 199
LYS A 200
LEU A 203
 None
 0.65A 4wg0L-2c1uA:
undetectable
4wg0M-2c1uA:
undetectable		 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.
2eg3 PROBABLE THIOSULFATE
SULFURTRANSFERASE

(Thermus
thermophilus) 		PF00581
(Rhodanese) 		4 LEU A 117
LEU A  84
GLU A  43
LEU A  47
 None
 0.60A 4wg0L-2eg3A:
undetectable
4wg0M-2eg3A:
undetectable		 4wg0L-2eg3A:
4.35
4wg0M-2eg3A:
4.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iel HYPOTHETICAL PROTEIN
TT0030

(Thermus
thermophilus) 		no annotation 4 LEU A  67
GLU A  23
LYS A  22
LEU A  21
 None
 0.80A 4wg0L-2ielA:
undetectable
4wg0M-2ielA:
undetectable		 4wg0L-2ielA:
20.69
4wg0M-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.
2keb DNA POLYMERASE
SUBUNIT ALPHA B

(Homo sapiens) 		no annotation 4 LEU A   8
LEU A  12
GLU A  29
LEU A  27
 None
 0.81A 4wg0L-2kebA:
undetectable
4wg0M-2kebA:
undetectable		 4wg0L-2kebA:
7.92
4wg0M-2kebA:
7.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nq2 HYPOTHETICAL ABC
TRANSPORTER
ATP-BINDING PROTEIN
HI1470

(Haemophilus
influenzae) 		PF00005
(ABC_tran) 		4 LEU C 149
LEU C 151
GLU C  63
LEU C   5
 None
 0.78A 4wg0L-2nq2C:
undetectable
4wg0M-2nq2C:
undetectable		 4wg0L-2nq2C:
5.59
4wg0M-2nq2C:
5.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nx2 HYPOTHETICAL PROTEIN
YPSA

(Bacillus
subtilis) 		PF06908
(DUF1273) 		4 LEU A  65
LEU A  72
LYS A  32
LEU A  35
 None
 0.81A 4wg0L-2nx2A:
undetectable
4wg0M-2nx2A:
undetectable		 4wg0L-2nx2A:
7.14
4wg0M-2nx2A:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		5 LEU A 268
LEU A 260
GLU A 280
LYS A 281
LEU A 284
 None
 1.00A 4wg0L-2q01A:
undetectable
4wg0M-2q01A:
undetectable		 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.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		4 LEU A 585
LEU A 581
LYS A 598
LEU A 601
 None
 0.82A 4wg0L-2qxlA:
undetectable
4wg0M-2qxlA:
undetectable		 4wg0L-2qxlA:
2.26
4wg0M-2qxlA:
2.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qzp ACYLAMINO-ACID-RELEA
SING ENZYME

(Aeropyrum
pernix) 		PF00326
(Peptidase_S9) 		4 LEU A 539
LEU A 535
GLU A 514
LEU A 516
 None
 0.74A 4wg0L-2qzpA:
undetectable
4wg0M-2qzpA:
undetectable		 4wg0L-2qzpA:
5.00
4wg0M-2qzpA:
5.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ri0 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Streptococcus
mutans) 		PF01182
(Glucosamine_iso) 		4 LEU A 120
LEU A  31
GLU A  22
LEU A  20
 None
 0.73A 4wg0L-2ri0A:
undetectable
4wg0M-2ri0A:
undetectable		 4wg0L-2ri0A:
3.51
4wg0M-2ri0A:
3.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		4 LEU A 434
LEU A 405
LYS A 428
LEU A 427
 None
 0.82A 4wg0L-2vf8A:
undetectable
4wg0M-2vf8A:
undetectable		 4wg0L-2vf8A:
2.38
4wg0M-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.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 LEU A 711
LEU A 707
GLU A 687
LEU A 689
 None
 0.78A 4wg0L-2vsqA:
undetectable
4wg0M-2vsqA:
undetectable		 4wg0L-2vsqA:
1.46
4wg0M-2vsqA:
1.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2we8 XANTHINE
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF02625
(XdhC_CoxI)
PF13478
(XdhC_C) 		4 LEU A 327
LEU A 330
GLU A 319
LEU A 317
 None
ACT  A1368 (-4.5A)
None
None
 0.77A 4wg0L-2we8A:
undetectable
4wg0M-2we8A:
undetectable		 4wg0L-2we8A:
2.79
4wg0M-2we8A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wqw INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		4 ASN A 261
LEU A 223
LEU A 226
LEU A 237
 None
 0.77A 4wg0L-2wqwA:
undetectable
4wg0M-2wqwA:
undetectable		 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.
2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 ARG A 485
LEU A 487
GLU A 686
LEU A 688
 None
 0.79A 4wg0L-2xzoA:
undetectable
4wg0M-2xzoA:
undetectable		 4wg0L-2xzoA:
2.39
4wg0M-2xzoA:
2.39
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.
2y5q INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		4 ASN A 261
LEU A 223
LEU A 226
LEU A 237
 None
 0.76A 4wg0L-2y5qA:
undetectable
4wg0M-2y5qA:
undetectable		 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.
2yqy HYPOTHETICAL PROTEIN
TTHA0303

(Thermus
thermophilus) 		PF12867
(DinB_2) 		4 LEU A 110
LEU A 113
GLU A  30
LEU A  28
 None
 0.79A 4wg0L-2yqyA:
undetectable
4wg0M-2yqyA:
undetectable		 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.
2zg6 PUTATIVE
UNCHARACTERIZED
PROTEIN ST2620

(Sulfurisphaera
tokodaii) 		PF13419
(HAD_2) 		4 LEU A  69
GLU A  86
LYS A  85
LEU A  84
 None
 0.75A 4wg0L-2zg6A:
undetectable
4wg0M-2zg6A:
undetectable		 4wg0L-2zg6A:
5.58
4wg0M-2zg6A:
5.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zle PROTEASE DO

(Escherichia
coli) 		PF00595
(PDZ)
PF13365
(Trypsin_2) 		4 LEU A 292
LEU A 294
GLU A 308
LEU A 220
 None
 0.76A 4wg0L-2zleA:
undetectable
4wg0M-2zleA:
undetectable		 4wg0L-2zleA:
3.13
4wg0M-2zleA:
3.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zrr MUNDTICIN KS
IMMUNITY PROTEIN

(Enterococcus
mundtii) 		PF08951
(EntA_Immun) 		4 LEU A  24
LEU A  41
LYS A  84
LEU A  85
 None
 0.70A 4wg0L-2zrrA:
undetectable
4wg0M-2zrrA:
undetectable		 4wg0L-2zrrA:
10.64
4wg0M-2zrrA:
10.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bo6 HYDROPHILIC PROTEIN,
VIRA PROTEIN

(Chromobacterium
violaceum) 		PF03536
(VRP3) 		4 LEU A 238
ARG A 177
LEU A 173
LEU A  33
 None
 0.80A 4wg0L-3bo6A:
undetectable
4wg0M-3bo6A:
undetectable		 4wg0L-3bo6A:
9.24
4wg0M-3bo6A:
9.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		4 ASN A 158
LEU A 159
GLU A 126
LEU A 128
 None
 0.79A 4wg0L-3cbgA:
undetectable
4wg0M-3cbgA:
undetectable		 4wg0L-3cbgA:
5.33
4wg0M-3cbgA:
5.33
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		4 LEU A 388
LEU A 384
LYS A 366
LEU A 365
 None
 0.78A 4wg0L-3cf4A:
undetectable
4wg0M-3cf4A:
undetectable		 4wg0L-3cf4A:
2.44
4wg0M-3cf4A:
2.44
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.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 LEU A 458
LEU A 454
GLU A 421
LEU A 420
 None
 0.79A 4wg0L-3ciaA:
undetectable
4wg0M-3ciaA:
undetectable		 4wg0L-3ciaA:
2.29
4wg0M-3ciaA:
2.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3clo TRANSCRIPTIONAL
REGULATOR

(Bacteroides
thetaiotaomicron) 		PF00196
(GerE) 		4 LEU A 257
GLU A 201
LYS A 202
LEU A 205
 None
 0.74A 4wg0L-3cloA:
undetectable
4wg0M-3cloA:
undetectable		 4wg0L-3cloA:
3.88
4wg0M-3cloA:
3.88
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.
3dnp STRESS RESPONSE
PROTEIN YHAX

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		5 ASN A 114
LEU A 144
LEU A 148
GLU A 159
LEU A 105
 None
 1.47A 4wg0L-3dnpA:
undetectable
4wg0M-3dnpA:
undetectable		 4wg0L-3dnpA:
3.83
4wg0M-3dnpA:
3.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0s UNCHARACTERIZED
PROTEIN

(Chlorobaculum
tepidum) 		PF05235
(CHAD) 		4 LEU A 447
LEU A 443
GLU A 406
LEU A 410
 None
 0.78A 4wg0L-3e0sA:
undetectable
4wg0M-3e0sA:
undetectable		 4wg0L-3e0sA:
4.29
4wg0M-3e0sA:
4.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3evt PHOSPHOGLYCERATE
DEHYDROGENASE

(Lactobacillus
plantarum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ASN A  60
LEU A  55
LEU A  51
LEU A  80
 None
 0.82A 4wg0L-3evtA:
undetectable
4wg0M-3evtA:
undetectable		 4wg0L-3evtA:
3.96
4wg0M-3evtA:
3.96
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.
3iby FERROUS IRON
TRANSPORT PROTEIN B

(Legionella
pneumophila) 		PF02421
(FeoB_N) 		4 LEU A 186
LEU A 190
GLU A 209
LEU A 207
 None
 0.82A 4wg0L-3ibyA:
undetectable
4wg0M-3ibyA:
undetectable		 4wg0L-3ibyA:
8.33
4wg0M-3ibyA:
8.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3idw ACTIN
CYTOSKELETON-REGULAT
ORY COMPLEX PROTEIN
SLA1

(Saccharomyces
cerevisiae) 		no annotation 4 ASN A  41
LEU A  44
ARG A  45
LEU A  49
 None
 0.78A 4wg0L-3idwA:
undetectable
4wg0M-3idwA:
undetectable		 4wg0L-3idwA:
13.33
4wg0M-3idwA:
13.33
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.
3kwp PREDICTED
METHYLTRANSFERASE

(Lactobacillus
brevis) 		PF00590
(TP_methylase) 		4 LEU A 176
LEU A 180
GLU A 205
LEU A 195
 None
 0.79A 4wg0L-3kwpA:
undetectable
4wg0M-3kwpA:
undetectable		 4wg0L-3kwpA:
6.41
4wg0M-3kwpA:
6.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lca PROTEIN TOM71

(Saccharomyces
cerevisiae) 		PF00515
(TPR_1)
PF13181
(TPR_8)
PF14559
(TPR_19) 		4 LEU A 298
LEU A 302
GLU A 342
LEU A 346
 None
 0.67A 4wg0L-3lcaA:
undetectable
4wg0M-3lcaA:
undetectable		 4wg0L-3lcaA:
4.32
4wg0M-3lcaA:
4.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mpx FYVE, RHOGEF AND PH
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF00169
(PH)
PF00621
(RhoGEF) 		4 LEU A 942
ARG A 943
LEU A 946
LEU A1004
 None
 0.67A 4wg0L-3mpxA:
undetectable
4wg0M-3mpxA:
undetectable		 4wg0L-3mpxA:
2.53
4wg0M-3mpxA:
2.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nep MALATE DEHYDROGENASE

(Salinibacter
ruber) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 LEU X 282
GLU X 311
LYS X 312
LEU X 315
 None
 0.59A 4wg0L-3nepX:
undetectable
4wg0M-3nepX:
undetectable		 4wg0L-3nepX:
4.96
4wg0M-3nepX:
4.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyq MALONYL-COA LIGASE

(Streptomyces
coelicolor) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A 160
ARG A 200
LEU A 196
LEU A 139
 None
 0.75A 4wg0L-3nyqA:
undetectable
4wg0M-3nyqA:
undetectable		 4wg0L-3nyqA:
2.18
4wg0M-3nyqA:
2.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3odx RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		4 LEU A 497
GLU A 586
LYS A 587
LEU A 590
 None
 0.64A 4wg0L-3odxA:
undetectable
4wg0M-3odxA:
undetectable		 4wg0L-3odxA:
4.15
4wg0M-3odxA:
4.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oyr TRANS-ISOPRENYL
DIPHOSPHATE SYNTHASE

(Caulobacter
vibrioides) 		PF00348
(polyprenyl_synt) 		4 ASN A 213
LEU A 216
LEU A 220
LEU A 175
 None
 0.71A 4wg0L-3oyrA:
undetectable
4wg0M-3oyrA:
undetectable		 4wg0L-3oyrA:
3.54
4wg0M-3oyrA:
3.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p52 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Campylobacter
jejuni) 		PF02540
(NAD_synthase) 		4 LEU A  38
LEU A  42
GLU A 161
LEU A 165
 None
 0.54A 4wg0L-3p52A:
undetectable
4wg0M-3p52A:
undetectable		 4wg0L-3p52A:
5.04
4wg0M-3p52A:
5.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pmk NUCLEOCAPSID PROTEIN

(Recombinant
vesicular
stomatitis
Indiana virus
rVSV-G/GFP) 		PF00945
(Rhabdo_ncap) 		4 ASN A  70
LEU A  73
LEU A  77
LEU A 139
 None
 0.67A 4wg0L-3pmkA:
undetectable
4wg0M-3pmkA:
undetectable		 4wg0L-3pmkA:
15.71
4wg0M-3pmkA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3un9 NLR FAMILY MEMBER X1

(Homo sapiens) 		PF13516
(LRR_6) 		4 ASN A 806
LEU A 803
LEU A 799
LEU A 812
 None
 0.75A 4wg0L-3un9A:
undetectable
4wg0M-3un9A:
undetectable		 4wg0L-3un9A:
7.53
4wg0M-3un9A:
7.53
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.
3vjj P9-1

(Rice black
streaked dwarf
virus) 		PF06043
(Reo_P9) 		4 LEU A 285
ARG A 286
LEU A 289
LEU A 274
 None
 0.73A 4wg0L-3vjjA:
undetectable
4wg0M-3vjjA:
undetectable		 4wg0L-3vjjA:
8.53
4wg0M-3vjjA:
8.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdn MONOAMINE OXIDASE N

(Aspergillus
niger) 		PF01593
(Amino_oxidase) 		4 LEU A 149
ARG A 150
LEU A 153
LEU A 210
 None
 0.73A 4wg0L-3zdnA:
undetectable
4wg0M-3zdnA:
undetectable		 4wg0L-3zdnA:
5.14
4wg0M-3zdnA:
5.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 ASN A 133
LEU A 136
LEU A 140
LEU A 124
 None
 0.69A 4wg0L-3zu0A:
undetectable
4wg0M-3zu0A:
undetectable		 4wg0L-3zu0A:
3.41
4wg0M-3zu0A:
3.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a2q RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		4 LEU A  61
GLU A   5
LYS A   6
LEU A   9
 None
 0.78A 4wg0L-4a2qA:
undetectable
4wg0M-4a2qA:
undetectable		 4wg0L-4a2qA:
1.63
4wg0M-4a2qA:
1.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4agv GALECTIN

(Cinachyrella) 		PF00337
(Gal-bind_lectin) 		5 LEU A  59
ARG A 114
LEU A  42
GLU A 107
LEU A 101
 None
 1.31A 4wg0L-4agvA:
undetectable
4wg0M-4agvA:
undetectable		 4wg0L-4agvA:
5.48
4wg0M-4agvA:
5.48
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.
4b7g CATALASE

(Corynebacterium
glutamicum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 LEU A 503
GLU A 469
LYS A 470
LEU A 473
 None
NDP  A1518 (-3.5A)
None
None
 0.72A 4wg0L-4b7gA:
undetectable
4wg0M-4b7gA:
undetectable		 4wg0L-4b7gA:
2.33
4wg0M-4b7gA:
2.33
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.
4db1 MYOSIN-7

(Homo sapiens) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 ASN A 686
LEU A 693
LYS A 106
LEU A 105
 None
 0.79A 4wg0L-4db1A:
undetectable
4wg0M-4db1A:
undetectable		 4wg0L-4db1A:
2.17
4wg0M-4db1A:
2.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eaa PEROSAMINE
N-ACETYLTRANSFERASE

(Caulobacter
vibrioides) 		PF00132
(Hexapep) 		4 LEU A  66
ARG A  62
LEU A  61
LEU A   5
 None
 0.81A 4wg0L-4eaaA:
undetectable
4wg0M-4eaaA:
undetectable		 4wg0L-4eaaA:
5.41
4wg0M-4eaaA:
5.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fp9 MTERF
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF02536
(mTERF) 		4 LEU B 216
GLU B 203
LYS B 202
LEU B 201
 None
 0.82A 4wg0L-4fp9B:
undetectable
4wg0M-4fp9B:
undetectable		 4wg0L-4fp9B:
4.00
4wg0M-4fp9B:
4.00
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.
4fwi ABC-TYPE
DIPEPTIDE/OLIGOPEPTI
DE/NICKEL TRANSPORT
SYSTEM, ATPASE
COMPONENT

(Caldanaerobacter
subterraneus) 		PF00005
(ABC_tran)
PF08352
(oligo_HPY) 		4 LEU B 221
GLU B 199
LYS B 198
LEU B 197
 None
 0.81A 4wg0L-4fwiB:
undetectable
4wg0M-4fwiB:
undetectable		 4wg0L-4fwiB:
4.15
4wg0M-4fwiB:
4.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ncj DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		4 LEU A 147
LEU A 778
GLU A 796
LEU A 800
 None
 0.78A 4wg0L-4ncjA:
undetectable
4wg0M-4ncjA:
undetectable		 4wg0L-4ncjA:
4.08
4wg0M-4ncjA:
4.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o1o RIBONUCLEASE L

(Sus scrofa) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
PF12796
(Ank_2)
PF13857
(Ank_5) 		4 ASN A 249
LEU A 208
GLU A 258
LEU A 256
 None
 0.82A 4wg0L-4o1oA:
undetectable
4wg0M-4o1oA:
undetectable		 4wg0L-4o1oA:
2.62
4wg0M-4o1oA:
2.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oou BETA-1,4-MANNANASE

(Cryptopygus
antarcticus) 		no annotation 4 LEU B 173
LEU B 117
GLU B 177
LEU B 129
 None
 0.82A 4wg0L-4oouB:
undetectable
4wg0M-4oouB:
undetectable		 4wg0L-4oouB:
3.83
4wg0M-4oouB:
3.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		4 ASN A 686
LEU A 693
LYS A 106
LEU A 105
 None
 0.69A 4wg0L-4p7hA:
undetectable
4wg0M-4p7hA:
undetectable		 4wg0L-4p7hA:
1.20
4wg0M-4p7hA:
1.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pjs PENTATRICOPEPTIDE
REPEAT PROTEIN

(unidentified) 		PF13041
(PPR_2) 		4 LEU A 114
LEU A 118
GLU A  97
LEU A  93
 None
 0.58A 4wg0L-4pjsA:
undetectable
4wg0M-4pjsA:
undetectable		 4wg0L-4pjsA:
5.06
4wg0M-4pjsA:
5.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qmi CYTOSKELETON-ASSOCIA
TED PROTEIN 5

(Homo sapiens) 		PF12348
(CLASP_N) 		4 ASN A 941
LEU A 942
LYS A 906
LEU A 905
 None
 0.70A 4wg0L-4qmiA:
undetectable
4wg0M-4qmiA:
undetectable		 4wg0L-4qmiA:
5.29
4wg0M-4qmiA:
5.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rz2 SITE-DETERMINING
PROTEIN

(Geobacillus
thermodenitrificans) 		PF10609
(ParA) 		4 ASN A  38
LEU A  41
LEU A  45
LEU A  70
 None
 0.80A 4wg0L-4rz2A:
undetectable
4wg0M-4rz2A:
undetectable		 4wg0L-4rz2A:
3.95
4wg0M-4rz2A:
3.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wyh UNCHARACTERIZED
PROTEIN

(Sulfolobus
solfataricus) 		no annotation 4 LEU A 116
GLU A 101
LYS A 100
LEU A  99
 None
 0.77A 4wg0L-4wyhA:
undetectable
4wg0M-4wyhA:
undetectable		 4wg0L-4wyhA:
8.47
4wg0M-4wyhA:
8.47
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.
4yx8 DSBA-LIKE PROTEIN

(Proteus
mirabilis) 		PF13462
(Thioredoxin_4) 		4 ASN A 180
LEU A 183
LEU A 187
LEU A  58
 None
 0.80A 4wg0L-4yx8A:
undetectable
4wg0M-4yx8A:
undetectable		 4wg0L-4yx8A:
5.95
4wg0M-4yx8A:
5.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zkj CRISPR-ASSOCIATED
PROTEIN CAS1

(Streptococcus
pyogenes) 		PF01867
(Cas_Cas1) 		4 LEU A  58
ARG A  57
LEU A  54
LEU A  41
 None
 0.82A 4wg0L-4zkjA:
undetectable
4wg0M-4zkjA:
undetectable		 4wg0L-4zkjA:
4.33
4wg0M-4zkjA:
4.33
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.
5a15 BTB/POZ
DOMAIN-CONTAINING
PROTEIN KCTD16

(Homo sapiens) 		PF02214
(BTB_2) 		4 LEU A 122
LEU A 118
LYS A 103
LEU A 106
 None
 0.72A 4wg0L-5a15A:
undetectable
4wg0M-5a15A:
undetectable		 4wg0L-5a15A:
8.33
4wg0M-5a15A:
8.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d3q DYNAMIN-1,DYNAMIN-1

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		4 LEU A 296
ARG A 297
LEU A 300
LEU A  31
 None
 0.73A 4wg0L-5d3qA:
undetectable
4wg0M-5d3qA:
undetectable		 4wg0L-5d3qA:
4.20
4wg0M-5d3qA:
4.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dcm PHOB FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptococcus
agalactiae) 		PF00486
(Trans_reg_C) 		4 ASN A 192
LEU A 191
LYS A 172
LEU A 175
 None
 0.72A 4wg0L-5dcmA:
undetectable
4wg0M-5dcmA:
undetectable		 4wg0L-5dcmA:
4.72
4wg0M-5dcmA:
4.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e4r KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		4 ASN A  42
LEU A  41
GLU A  13
LEU A  12
 None
None
None
GOL  A 506 (-4.4A)
 0.81A 4wg0L-5e4rA:
undetectable
4wg0M-5e4rA:
undetectable		 4wg0L-5e4rA:
11.34
4wg0M-5e4rA:
11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eft P9-1

(Southern rice
black-streaked
dwarf virus) 		PF06043
(Reo_P9) 		4 LEU B 264
ARG B 265
LEU B 268
LEU B 253
 None
 0.79A 4wg0L-5eftB:
undetectable
4wg0M-5eftB:
undetectable		 4wg0L-5eftB:
7.91
4wg0M-5eftB:
7.91
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.
5eio N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE/N-ACET
YL-GAMMA-AMINOADIPYL
-PHOSPHATE REDUCTASE

(Thermus
thermophilus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 LEU A  90
LEU A  71
GLU A  63
LEU A  65
 None
 0.74A 4wg0L-5eioA:
undetectable
4wg0M-5eioA:
undetectable		 4wg0L-5eioA:
3.54
4wg0M-5eioA:
3.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 ASN A 959
LEU A 956
LEU A 952
LEU A 722
 None
 0.71A 4wg0L-5j6sA:
undetectable
4wg0M-5j6sA:
undetectable		 4wg0L-5j6sA:
1.97
4wg0M-5j6sA:
1.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j8n EXODEOXYRIBONUCLEASE
III

(Methanosarcina
mazei) 		PF03372
(Exo_endo_phos) 		4 LEU A 147
LEU A 109
LYS A 141
LEU A 140
 None
 0.82A 4wg0L-5j8nA:
undetectable
4wg0M-5j8nA:
undetectable		 4wg0L-5j8nA:
5.24
4wg0M-5j8nA:
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.
5li4 TAIL SHEATH PROTEIN

(Staphylococcus
phage 812) 		no annotation 4 ASN A 497
LEU A 500
LEU A 504
LEU A 533
 None
 0.77A 4wg0L-5li4A:
undetectable
4wg0M-5li4A:
undetectable		 4wg0L-5li4A:
4.92
4wg0M-5li4A:
4.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ly9 VARIANT SURFACE
GLYCOPROTEIN MITAT
1.1

(Trypanosoma
brucei) 		PF00913
(Trypan_glycop) 		4 LEU A  21
LEU A  17
GLU A 248
LEU A 101
 None
 0.81A 4wg0L-5ly9A:
undetectable
4wg0M-5ly9A:
undetectable		 4wg0L-5ly9A:
4.48
4wg0M-5ly9A:
4.48
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 4 LEU A 277
LEU A 275
GLU A 286
LEU A 290
 None
None
U  C   6 ( 4.9A)
None
 0.82A 4wg0L-5n94A:
undetectable
4wg0M-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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 4 LEU A1177
LEU A1178
LYS A1206
LEU A1207
 None
 0.81A 4wg0L-5ng6A:
undetectable
4wg0M-5ng6A:
undetectable		 4wg0L-5ng6A:
2.14
4wg0M-5ng6A:
2.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t82 REVERSE
TRANSCRIPTASE

(Human
immunodeficiency
virus 1) 		PF06817
(RVT_thumb) 		4 LEU A 279
LEU A 260
GLU A 305
LEU A 303
 None
 0.71A 4wg0L-5t82A:
undetectable
4wg0M-5t82A:
undetectable		 4wg0L-5t82A:
10.23
4wg0M-5t82A:
10.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tcb PELA

(Pseudomonas
aeruginosa) 		PF03537
(Glyco_hydro_114) 		4 LEU A  73
GLU A  88
LYS A  87
LEU A  86
 None
 0.73A 4wg0L-5tcbA:
undetectable
4wg0M-5tcbA:
undetectable		 4wg0L-5tcbA:
2.92
4wg0M-5tcbA:
2.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4v RHO
GTPASE-ACTIVATING
PROTEIN 5

(Homo sapiens) 		no annotation 4 LEU A 750
ARG A 751
LEU A 754
LEU A 632
 None
 0.69A 4wg0L-5u4vA:
undetectable
4wg0M-5u4vA:
undetectable		 4wg0L-5u4vA:
6.25
4wg0M-5u4vA:
6.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u5d (S)-2-HYDROXYPROPYLP
HOSPHONIC ACID
EPOXIDASE

(Pseudomonas
syringae) 		PF07883
(Cupin_2) 		4 ASN A 125
LEU A 124
ARG A  87
LEU A 122
 TB6  A 302 (-3.9A)
None
TB6  A 302 (-3.0A)
None
 0.82A 4wg0L-5u5dA:
undetectable
4wg0M-5u5dA:
undetectable		 4wg0L-5u5dA:
10.48
4wg0M-5u5dA:
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.
5ubv ATPASE DOMAIN OF
I-AAA PROTEASE

(Thermothelomyces
thermophila) 		no annotation 5 LEU A  55
LEU A  44
GLU A  16
LYS A  15
LEU A  18
 None
 1.48A 4wg0L-5ubvA:
undetectable
4wg0M-5ubvA:
undetectable		 4wg0L-5ubvA:
undetectable
4wg0M-5ubvA:
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.
5xvn CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Enterococcus
faecalis) 		PF01867
(Cas_Cas1) 		4 LEU A  57
ARG A  56
LEU A  53
LEU A  40
 None
 0.81A 4wg0L-5xvnA:
undetectable
4wg0M-5xvnA:
undetectable		 4wg0L-5xvnA:
4.10
4wg0M-5xvnA:
4.10
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.
6elq CARBON MONOXIDE
DEHYDROGENASE

(Carboxydothermus
hydrogenoformans) 		no annotation 4 LEU X 499
ARG X 500
LEU X 503
LEU X 470
 None
 0.79A 4wg0L-6elqX:
undetectable
4wg0M-6elqX:
undetectable		 4wg0L-6elqX:
undetectable
4wg0M-6elqX:
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.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 4 ASN A   3
LEU A   6
LEU A  10
GLU A  59
 CIT  A 502 (-3.8A)
None
None
None
 0.73A 4wg0L-6enoA:
undetectable
4wg0M-6enoA:
undetectable		 4wg0L-6enoA:
undetectable
4wg0M-6enoA:
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ASN A 434
LEU A 433
ARG A 460
LEU A 461
LEU A 452
 None
 1.26A 4wg0L-6eonA:
undetectable
4wg0M-6eonA:
undetectable		 4wg0L-6eonA:
2.40
4wg0M-6eonA:
2.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fsa -

(-) 		no annotation 4 ASN A 686
LEU A 693
LYS A 106
LEU A 105
 None
 0.79A 4wg0L-6fsaA:
undetectable
4wg0M-6fsaA:
undetectable		 4wg0L-6fsaA:
undetectable
4wg0M-6fsaA:
undetectable