SIMILAR PATTERNS OF AMINO ACIDS FOR 5GWY_E_010E6

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.
1cc1 HYDROGENASE (LARGE
SUBUNIT)

(Desulfomicrobium
baculatum) 		PF00374
(NiFeSe_Hases) 		4 THR L 421
LEU L 428
HIS L  77
GLY L 426
 None
FCO  L 499 (-3.5A)
FCO  L 499 (-3.9A)
None
 1.24A 5gwyA-1cc1L:
0.0		 5gwyA-1cc1L:
21.71
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.
1d2k CHITINASE 1

(Coccidioides
immitis) 		PF00704
(Glyco_hydro_18) 		4 THR A 209
LEU A 207
HIS A  66
GLY A 165
 None
 1.06A 5gwyA-1d2kA:
undetectable		 5gwyA-1d2kA:
22.01
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.
1e8c UDP-N-ACETYLMURAMOYL
ALANYL-D-GLUTAMATE--
2,6-DIAMINOPIMELATE
LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 THR A 114
LEU A 188
HIS A 231
GLY A 187
 KCX  A 224 ( 3.9A)
KCX  A 224 ( 4.9A)
None
None
 1.42A 5gwyA-1e8cA:
0.0		 5gwyA-1e8cA:
21.16
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.
1hg8 ENDOPOLYGALACTURONAS
E

(Fusarium
verticillioides) 		PF00295
(Glyco_hydro_28) 		4 THR A  98
LEU A 144
HIS A 103
GLY A 166
 None
 1.31A 5gwyA-1hg8A:
0.0		 5gwyA-1hg8A:
24.80
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.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 THR A2692
LEU A2689
HIS A2562
GLY A2544
 CUO  A 888 ( 4.9A)
None
CUO  A 888 (-3.4A)
None
 1.20A 5gwyA-1js8A:
1.2		 5gwyA-1js8A:
20.83
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		4 THR A  44
LEU A  63
HIS A  68
GLY A  65
 None
 1.33A 5gwyA-1juvA:
undetectable		 5gwyA-1juvA:
22.40
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.
1lvm CATALYTIC DOMAIN OF
THE NUCLEAR
INCLUSION PROTEIN A
(NIA)

(Tobacco etch
virus) 		PF00863
(Peptidase_C4) 		4 THR A  30
LEU A  32
HIS A  46
GLY A 149
 None
 0.61A 5gwyA-1lvmA:
14.2		 5gwyA-1lvmA:
22.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p9s REPLICASE
POLYPROTEIN 1AB

(Human
coronavirus
229E) 		PF05409
(Peptidase_C30) 		4 THR A  25
LEU A  27
HIS A  41
GLY A 142
 None
None
DIO  A 301 (-3.7A)
None
 0.51A 5gwyA-1p9sA:
42.1		 5gwyA-1p9sA:
69.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pjm IMPORTIN ALPHA-2
SUBUNIT

(Mus musculus) 		PF00514
(Arm)
PF16186
(Arm_3) 		4 THR B 230
LEU B 226
HIS B 262
GLY B 224
 None
 0.91A 5gwyA-1pjmB:
undetectable		 5gwyA-1pjmB:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 THR A 144
LEU A 405
HIS A  69
GLY A 407
 None
None
None
FAD  A1656 ( 3.0A)
 0.99A 5gwyA-1qlbA:
0.0		 5gwyA-1qlbA:
17.78
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.
1z7z INTERCELLULAR
ADHESION MOLECULE-1

(Homo sapiens) 		PF03921
(ICAM_N) 		4 THR I 184
LEU I 182
HIS I 152
GLY I 154
 None
 1.19A 5gwyA-1z7zI:
undetectable		 5gwyA-1z7zI:
20.22
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.
2bi0 HYPOTHETICAL PROTEIN
RV0216

(Mycobacterium
tuberculosis) 		no annotation 4 THR A 262
LEU A 258
HIS A  69
GLY A 255
 None
 1.28A 5gwyA-2bi0A:
undetectable		 5gwyA-2bi0A:
22.99
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A
ADENYLYLSULFATE
REDUCTASE, SUBUNIT B

(Archaeoglobus
fulgidus;
Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 THR A 119
LEU B 831
HIS A 115
GLY B 833
 None
 1.29A 5gwyA-2fjaA:
undetectable		 5gwyA-2fjaA:
19.16
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.
2gax HYPOTHETICAL PROTEIN
ATU0240

(Agrobacterium
fabrum) 		PF09391
(DUF2000) 		4 THR A  82
LEU A  84
HIS A  72
GLY A 114
 None
 1.29A 5gwyA-2gaxA:
undetectable		 5gwyA-2gaxA:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ib5 CHROMO PROTEIN

(Epiactis
japonica) 		PF01353
(GFP) 		4 THR A 149
LEU A 154
HIS A 193
GLY A 156
 None
 1.23A 5gwyA-2ib5A:
0.7		 5gwyA-2ib5A:
20.99
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.
2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Aquifex
aeolicus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		4 THR A 225
LEU A 216
HIS A 409
GLY A 222
 None
 1.45A 5gwyA-2yw2A:
undetectable		 5gwyA-2yw2A:
20.45
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.
3cty THIOREDOXIN
REDUCTASE

(Thermoplasma
acidophilum) 		PF07992
(Pyr_redox_2) 		4 THR A 124
LEU A  53
HIS A 126
GLY A  52
 None
FAD  A1000 (-4.1A)
None
FAD  A1000 (-3.3A)
 1.26A 5gwyA-3ctyA:
undetectable		 5gwyA-3ctyA:
23.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d62 3C-LIKE PROTEINASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF05409
(Peptidase_C30) 		4 THR A  25
LEU A  27
HIS A  41
GLY A 143
 None
959  A 350 ( 4.8A)
959  A 350 (-3.9A)
959  A 350 (-3.2A)
 0.40A 5gwyA-3d62A:
38.6		 5gwyA-3d62A:
42.02
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.
3djc TYPE III
PANTOTHENATE KINASE

(Legionella
pneumophila) 		PF03309
(Pan_kinase) 		4 THR A  34
LEU A  38
HIS A  28
GLY A  39
 None
 1.49A 5gwyA-3djcA:
undetectable		 5gwyA-3djcA:
24.25
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.
3ec7 PUTATIVE
DEHYDROGENASE

(Salmonella
enterica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 THR A 310
LEU A 306
HIS A 182
GLY A 304
 None
 0.80A 5gwyA-3ec7A:
undetectable		 5gwyA-3ec7A:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ff4 UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF13380
(CoA_binding_2) 		4 THR A 110
LEU A 114
HIS A  29
GLY A 117
 None
 1.13A 5gwyA-3ff4A:
undetectable		 5gwyA-3ff4A:
20.39
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.
3fj4 MUCONATE
CYCLOISOMERASE

(Pseudomonas
protegens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 THR A  20
LEU A 335
HIS A  24
GLY A 332
 None
None
MUC  A 383 (-4.1A)
None
 1.28A 5gwyA-3fj4A:
undetectable		 5gwyA-3fj4A:
21.85
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.
3gnr OS03G0212800 PROTEIN

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		4 THR A  25
LEU A 462
HIS A 420
GLY A 461
 THR  A  25 ( 0.8A)
LEU  A 462 ( 0.6A)
HIS  A 420 ( 1.0A)
GLY  A 461 ( 0.0A)
 1.34A 5gwyA-3gnrA:
undetectable		 5gwyA-3gnrA:
19.80
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.
3hvd PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		4 THR A 702
LEU A 639
HIS A 616
GLY A 641
 None
 1.25A 5gwyA-3hvdA:
0.0		 5gwyA-3hvdA:
19.81
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		4 THR A 426
LEU A 239
HIS A 386
GLY A 240
 None
 1.41A 5gwyA-3n71A:
1.8		 5gwyA-3n71A:
21.29
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.
3nxp PRETHROMBIN-1

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		4 THR A 629
LEU A 499
HIS A 457
GLY A 616
 None
 1.46A 5gwyA-3nxpA:
9.0		 5gwyA-3nxpA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		4 THR A 415
LEU A 413
HIS A 489
GLY A 480
 None
 1.27A 5gwyA-3ob8A:
undetectable		 5gwyA-3ob8A:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3odg XANTHOSINE
PHOSPHORYLASE

(Yersinia
pseudotuberculosis) 		PF01048
(PNP_UDP_1) 		4 THR A 246
LEU A 263
HIS A 259
GLY A  43
 XAN  A 288 (-3.8A)
None
None
None
 1.39A 5gwyA-3odgA:
undetectable		 5gwyA-3odgA:
24.71
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.
3op0 SIGNAL TRANSDUCTION
PROTEIN CBL-C

(Homo sapiens) 		PF02262
(Cbl_N)
PF02761
(Cbl_N2)
PF02762
(Cbl_N3) 		4 THR A 268
LEU A 270
HIS A 130
GLY A 271
 None
 1.43A 5gwyA-3op0A:
undetectable		 5gwyA-3op0A:
23.88
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.
3q75 FARNESYLTRANSFERASE
BETA SUBUNIT

(Cryptococcus
neoformans) 		PF00432
(Prenyltrans) 		4 THR B 384
LEU B  61
HIS B  66
GLY B  60
 None
 1.22A 5gwyA-3q75B:
undetectable		 5gwyA-3q75B:
20.88
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.
3r9j SEPTUM
SITE-DETERMINING
PROTEIN MIND

(Escherichia
coli) 		PF01656
(CbiA) 		4 THR A 242
LEU A 246
HIS A 177
GLY A 248
 None
 0.99A 5gwyA-3r9jA:
undetectable		 5gwyA-3r9jA:
22.74
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.
3rj8 CARBOHYDRATE OXIDASE

(Microdochium
nivale) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 THR A 131
LEU A 112
HIS A 140
GLY A 134
 FAD  A 501 (-3.7A)
None
FAD  A 501 (-3.8A)
None
 1.44A 5gwyA-3rj8A:
undetectable		 5gwyA-3rj8A:
23.98
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.
3tex PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		4 THR A 702
LEU A 639
HIS A 616
GLY A 641
 None
 1.39A 5gwyA-3texA:
undetectable		 5gwyA-3texA:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqh QUINONE
OXIDOREDUCTASE

(Coxiella
burnetii) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 THR A  49
LEU A  68
HIS A 301
GLY A  69
 None
 1.43A 5gwyA-3tqhA:
undetectable		 5gwyA-3tqhA:
24.52
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		4 THR B 418
LEU B 425
HIS B  82
GLY B 423
 None
FCO  B 500 (-3.5A)
FCO  B 500 (-4.3A)
None
 1.30A 5gwyA-3ze7B:
undetectable		 5gwyA-3ze7B:
21.49
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.
4ap8 MOLYBDOPTERIN
SYNTHASE CATALYTIC
SUBUNIT

(Homo sapiens) 		PF02391
(MoaE) 		4 THR A  50
LEU A 125
HIS A 123
GLY A 126
 None
 0.95A 5gwyA-4ap8A:
undetectable		 5gwyA-4ap8A:
16.72
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 THR A 200
LEU A 197
HIS A  60
GLY A  43
 CUO  A9001 ( 4.9A)
None
CUO  A9001 (-3.1A)
None
 1.25A 5gwyA-4bedA:
undetectable		 5gwyA-4bedA:
10.85
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 THR A 623
LEU A 620
HIS A 482
GLY A 463
 CUO  A9002 ( 4.5A)
None
CUO  A9002 (-3.4A)
None
 1.31A 5gwyA-4bedA:
undetectable		 5gwyA-4bedA:
10.85
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 THR A1036
LEU A1033
HIS A 896
GLY A 877
 None
None
CUO  A9003 (-3.4A)
None
 1.31A 5gwyA-4bedA:
undetectable		 5gwyA-4bedA:
10.85
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 THR B2691
LEU B2688
HIS B2561
GLY B2543
 CUO  B9007 ( 4.5A)
None
CUO  B9007 (-3.3A)
None
 1.21A 5gwyA-4bedB:
undetectable		 5gwyA-4bedB:
10.74
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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA43

(Saccharomyces
cerevisiae) 		PF03876
(SHS2_Rpb7-N) 		4 THR G  34
LEU G 133
HIS G 150
GLY G 135
 None
 1.41A 5gwyA-4c3hG:
undetectable		 5gwyA-4c3hG:
21.97
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.
4de9 PUTATIVE
TRANSCRIPTIONAL
REGULATOR YWTF

(Bacillus
subtilis) 		PF03816
(LytR_cpsA_psr) 		4 THR A 147
LEU A 143
HIS A 127
GLY A 140
 None
 1.21A 5gwyA-4de9A:
undetectable		 5gwyA-4de9A:
22.26
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.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		4 THR A  91
LEU A  88
HIS A  94
GLY A  85
 None
 1.49A 5gwyA-4hymA:
undetectable		 5gwyA-4hymA:
21.81
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.
4n2c PROTEIN-ARGININE
DEIMINASE TYPE-2

(Homo sapiens) 		PF03068
(PAD)
PF08526
(PAD_N)
PF08527
(PAD_M) 		4 THR A  94
LEU A  42
HIS A  44
GLY A  65
 None
 1.25A 5gwyA-4n2cA:
undetectable		 5gwyA-4n2cA:
18.97
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.
4n3n EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN,
EIF5B(517-C)

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		4 THR A 595
LEU A 529
HIS A 598
GLY A 530
 None
 1.10A 5gwyA-4n3nA:
undetectable		 5gwyA-4n3nA:
20.72
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.
4o2w E3 UBIQUITIN-PROTEIN
LIGASE HERC1

(Homo sapiens) 		PF00415
(RCC1) 		4 THR A4335
LEU A4323
HIS A4327
GLY A4324
 None
 1.38A 5gwyA-4o2wA:
undetectable		 5gwyA-4o2wA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qei GLYCINE--TRNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 THR A 364
LEU A 361
HIS A 114
GLY A 357
 None
 1.50A 5gwyA-4qeiA:
0.0		 5gwyA-4qeiA:
18.45
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.
4qn1 E3 UBIQUITIN-PROTEIN
LIGASE SHPRH

(Homo sapiens) 		no annotation 4 THR A1063
LEU A1061
HIS A1057
GLY A1059
 None
 1.16A 5gwyA-4qn1A:
undetectable		 5gwyA-4qn1A:
20.32
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.
4qti UROKINASE
PLASMINOGEN
ACTIVATOR SURFACE
RECEPTOR

(Homo sapiens) 		PF00021
(UPAR_LY6) 		4 THR U  51
LEU U 150
HIS U 251
GLY U 152
 None
 1.06A 5gwyA-4qtiU:
undetectable		 5gwyA-4qtiU:
19.49
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.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 4 THR B 217
LEU B 215
HIS B  73
GLY B 177
 None
 1.13A 5gwyA-4w5uB:
undetectable		 5gwyA-4w5uB:
22.69
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.
4zdk CTP SYNTHASE

(Mycobacterium
tuberculosis) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		4 THR A 521
LEU A 392
HIS A 524
GLY A 395
 None
None
ONL  A 601 ( 4.8A)
None
 1.13A 5gwyA-4zdkA:
undetectable		 5gwyA-4zdkA:
19.53
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.
5ep5 THIOESTERASE

(Staphylococcus
aureus) 		PF03061
(4HBT) 		4 THR A  86
LEU A  19
HIS A  14
GLY A  18
 None
 1.41A 5gwyA-5ep5A:
undetectable		 5gwyA-5ep5A:
17.53
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		4 THR I  55
LEU I  52
HIS I  35
GLY I  50
 None
7F1  I 300 (-3.4A)
None
None
 1.37A 5gwyA-5fmgI:
undetectable		 5gwyA-5fmgI:
22.50
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.
5l6f FAD LINKED
OXIDASE-LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 THR A 154
LEU A 135
HIS A 163
GLY A 157
 BXP  A 509 ( 3.1A)
None
FAD  A 501 (-3.8A)
None
 1.46A 5gwyA-5l6fA:
undetectable		 5gwyA-5l6fA:
22.09
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.
5lnk MITOCHONDRIAL
COMPLEX I, ND5
SUBUNIT

(Ovis aries) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
PF06455
(NADH5_C) 		4 THR L 316
LEU L 312
HIS L 328
GLY L 311
 None
 0.82A 5gwyA-5lnkL:
undetectable		 5gwyA-5lnkL:
17.51
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.
5mpo MOLYBDOPTERIN
SYNTHASE CATALYTIC
SUBUNIT

(Homo sapiens) 		PF02391
(MoaE) 		4 THR C  50
LEU C 125
HIS C 123
GLY C 126
 None
 0.98A 5gwyA-5mpoC:
undetectable		 5gwyA-5mpoC:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nh0 REPLICASE
POLYPROTEIN 1AB

(Human
coronavirus
NL63) 		no annotation 4 THR A  25
LEU A  27
HIS A  41
GLY A 142
 8X8  A 301 ( 4.5A)
None
8X8  A 301 (-3.5A)
8X8  A 301 (-3.4A)
 0.33A 5gwyA-5nh0A:
20.9		 5gwyA-5nh0A:
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.
5opt ACTIVATED PROTEIN
KINASE C RECEPTOR,
PUTATIVE

(Trypanosoma
cruzi) 		no annotation 4 THR p 145
LEU p 133
HIS p 151
GLY p 127
 None
 1.34A 5gwyA-5optp:
undetectable		 5gwyA-5optp:
23.24
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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 4 THR A 358
LEU A  34
HIS A  32
GLY A  35
 None
 1.46A 5gwyA-5ta1A:
undetectable		 5gwyA-5ta1A:
18.85
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.
5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1

(Homo sapiens) 		PF00400
(WD40)
PF00931
(NB-ARC) 		4 THR A1108
LEU A1123
HIS A1121
GLY A1125
 None
 1.18A 5gwyA-5wveA:
undetectable		 5gwyA-5wveA:
13.34
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.
5xh9 EXTRACELLULAR
INVERTASE

(Aspergillus
kawachii) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 THR A  93
LEU A  76
HIS A  78
GLY A  75
 None
 1.34A 5gwyA-5xh9A:
undetectable		 5gwyA-5xh9A:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zya SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 4 THR C1187
LEU C1148
HIS C1184
GLY C1146
 None
 0.98A 5gwyA-5zyaC:
undetectable		 5gwyA-5zyaC:
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.
6ero DIMETHYLADENOSINE
TRANSFERASE 2,
MITOCHONDRIAL,DIMETH
YLADENOSINE
TRANSFERASE 2,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 THR A  50
LEU A  76
HIS A  72
GLY A  77
 None
 1.37A 5gwyA-6eroA:
undetectable		 5gwyA-6eroA:
18.21
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.
6erq DIMETHYLADENOSINE
TRANSFERASE 2,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 THR F 110
LEU F 136
HIS F 132
GLY F 137
 None
 1.30A 5gwyA-6erqF:
undetectable		 5gwyA-6erqF:
17.45
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 4 THR L 316
LEU L 312
HIS L 328
GLY L 311
 None
 0.77A 5gwyA-6g2jL:
undetectable		 5gwyA-6g2jL:
undetectable