SIMILAR PATTERNS OF AMINO ACIDS FOR 3GWX_A_EPAA1_2

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.
19hc PROTEIN (NINE-HAEM
CYTOCHROME C)


(Desulfovibrio
desulfuricans)
PF02085
(Cytochrom_CIII)
5 CYH A 114
THR A 118
THR A 119
ILE A 208
HIS A 218
HEM  A 304 ( 1.8A)
HEM  A 304 (-3.2A)
None
HEM  A 304 (-4.1A)
HEM  A 304 (-3.2A)
1.19A 3gwxA-19hcA:
undetectable
3gwxA-19hcA:
21.82
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.
1bxt PROTEIN
(STREPTOCOCCAL
SUPERANTIGEN)


(Streptococcus
pyogenes)
PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C)
5 THR A 219
THR A 152
THR A 114
ILE A 144
ILE A 128
None
1.32A 3gwxA-1bxtA:
0.0
3gwxA-1bxtA:
19.43
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.
1cnz PROTEIN
(3-ISOPROPYLMALATE
DEHYDROGENASE)


(Salmonella
enterica)
PF00180
(Iso_dh)
5 THR A  39
THR A  40
HIS A  42
ILE A  71
LEU A  24
None
1.29A 3gwxA-1cnzA:
undetectable
3gwxA-1cnzA:
21.11
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.
1dys ENDOGLUCANASE

(Humicola
insolens)
PF01341
(Glyco_hydro_6)
5 THR A 196
LEU A 259
ILE A 213
LEU A 187
TYR A 246
None
1.31A 3gwxA-1dysA:
0.0
3gwxA-1dysA:
20.96
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.
1fy1 HEPARIN-BINDING
PROTEIN


(Homo sapiens)
PF00089
(Trypsin)
5 THR A 147
THR A 161
THR A 149
ILE A   1
LEU A 179
None
1.12A 3gwxA-1fy1A:
undetectable
3gwxA-1fy1A:
20.48
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.
1o12 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE


(Thermotoga
maritima)
PF01979
(Amidohydro_1)
5 THR A  81
THR A  82
THR A  58
ILE A 143
ILE A 170
None
1.19A 3gwxA-1o12A:
undetectable
3gwxA-1o12A:
19.79
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.
1y1u SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 5A


(Mus musculus)
PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind)
5 THR A 158
LEU A 151
ILE A 320
ILE A 286
LEU A 229
None
1.25A 3gwxA-1y1uA:
0.0
3gwxA-1y1uA:
20.29
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.
1ye8 HYPOTHETICAL UPF0334
KINASE-LIKE PROTEIN
AQ_1292


(Aquifex
aeolicus)
PF03266
(NTPase_1)
5 THR A  52
LEU A  24
ILE A   3
MET A 126
LEU A  88
None
1.34A 3gwxA-1ye8A:
0.0
3gwxA-1ye8A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c4k PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 1


(Homo sapiens)
PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth)
5 THR A 308
THR A 325
LEU A  22
ILE A  66
LEU A 289
None
1.06A 3gwxA-2c4kA:
0.0
3gwxA-2c4kA:
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.
2c79 GLYCOSIDE HYDROLASE,
FAMILY
11:CLOSTRIDIUM
CELLULOSOME ENZYME,
DOCKERIN TYPE
I:POLYSACCHARIDE


(Ruminiclostridium
thermocellum)
PF01522
(Polysacc_deac_1)
5 THR A 510
THR A 659
ILE A 525
ILE A 526
LEU A 502
None
1.11A 3gwxA-2c79A:
0.0
3gwxA-2c79A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ctz O-ACETYL-L-HOMOSERIN
E SULFHYDRYLASE


(Thermus
thermophilus)
PF01053
(Cys_Met_Meta_PP)
5 THR A 103
THR A 128
ILE A 153
ILE A 160
LEU A 106
None
1.15A 3gwxA-2ctzA:
undetectable
3gwxA-2ctzA:
23.95
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.
2dch PUTATIVE HOMING
ENDONUCLEASE


(Thermoproteus)
PF14528
(LAGLIDADG_3)
5 THR X 142
LEU X 135
ILE X 103
ILE X 128
LEU X 146
None
1.33A 3gwxA-2dchX:
undetectable
3gwxA-2dchX:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ea9 HYPOTHETICAL PROTEIN
YFJZ


(Escherichia
coli)
PF06154
(CbeA_antitoxin)
5 CYH A  92
THR A  91
ILE A  63
ILE A  66
LEU A  55
None
1.17A 3gwxA-2ea9A:
undetectable
3gwxA-2ea9A:
16.24
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.
2ep7 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE


(Aquifex
aeolicus)
PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C)
5 CYH A 284
LEU A 306
ILE A 293
ILE A 288
LEU A 281
None
1.02A 3gwxA-2ep7A:
undetectable
3gwxA-2ep7A:
21.04
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.
2f9i ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA


(Staphylococcus
aureus)
PF01039
(Carboxyl_trans)
5 THR B 202
THR B 205
LEU B 161
ILE B  70
MET B 269
None
1.31A 3gwxA-2f9iB:
undetectable
3gwxA-2f9iB:
24.05
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.
2hmc DIHYDRODIPICOLINATE
SYNTHASE


(Agrobacterium
fabrum)
PF00701
(DHDPS)
5 THR A 187
THR A 180
ILE A   5
ILE A  75
TYR A  -3
None
1.14A 3gwxA-2hmcA:
undetectable
3gwxA-2hmcA:
21.19
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.
2j1q ARGININE KINASE

(Trypanosoma
cruzi)
PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN)
5 CYH A 271
THR A 269
LEU A  82
ILE A  65
HIS A  90
None
1.16A 3gwxA-2j1qA:
undetectable
3gwxA-2j1qA:
21.08
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.
2ng1 SIGNAL SEQUENCE
RECOGNITION PROTEIN
FFH


(Thermus
aquaticus)
PF00448
(SRP54)
PF02881
(SRP54_N)
5 THR A  48
LEU A  31
ILE A  13
ILE A  74
LEU A   5
None
1.25A 3gwxA-2ng1A:
undetectable
3gwxA-2ng1A:
24.28
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.
2nuh PERIPLASMIC DIVALENT
CATION TOLERANCE
PROTEIN


(Xylella
fastidiosa)
PF03091
(CutA1)
5 CYH A  33
THR A  35
LEU A   7
ILE A 105
ILE A 101
None
1.26A 3gwxA-2nuhA:
undetectable
3gwxA-2nuhA:
18.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA


(Homo sapiens)
PF00104
(Hormone_recep)
6 CYH A 276
THR A 279
THR A 283
HIS A 440
LEU A 460
TYR A 464
735  A 469 (-2.9A)
735  A 469 (-3.6A)
None
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
0.47A 3gwxA-2p54A:
37.9
3gwxA-2p54A:
70.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA


(Homo sapiens)
PF00104
(Hormone_recep)
6 CYH A 276
THR A 283
ILE A 354
HIS A 440
LEU A 460
TYR A 464
735  A 469 (-2.9A)
None
735  A 469 (-3.7A)
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
0.77A 3gwxA-2p54A:
37.9
3gwxA-2p54A:
70.52
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.
2qik UPF0131 PROTEIN YKQA

(Bacillus
subtilis)
PF06094
(GGACT)
PF13772
(AIG2_2)
5 THR A 165
THR A 187
THR A 186
ILE A 252
MET A 138
None
1.33A 3gwxA-2qikA:
undetectable
3gwxA-2qikA:
21.93
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.
2vd3 ATP
PHOSPHORIBOSYLTRANSF
ERASE


(Methanothermobacter
thermautotrophicus)
PF01634
(HisG)
PF08029
(HisG_C)
5 THR A 157
THR A 144
ILE A 104
ILE A 110
LEU A 171
CL  A1293 (-4.0A)
CL  A1293 ( 3.9A)
None
None
None
1.32A 3gwxA-2vd3A:
undetectable
3gwxA-2vd3A:
23.94
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.
2x6k PHOSPHOTIDYLINOSITOL
3 KINASE 59F


(Drosophila
melanogaster)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
5 THR A 798
LEU A 729
ILE A 788
MET A 849
LEU A 841
None
1.21A 3gwxA-2x6kA:
undetectable
3gwxA-2x6kA:
18.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA


(Homo sapiens)
PF00104
(Hormone_recep)
5 CYH A 285
HIS A 323
HIS A 449
LEU A 469
TYR A 473
MC5  A   1 (-3.6A)
MC5  A   1 (-3.8A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
0.67A 3gwxA-3b0qA:
36.2
3gwxA-3b0qA:
61.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA


(Homo sapiens)
PF00104
(Hormone_recep)
5 CYH A 285
HIS A 323
LEU A 330
HIS A 449
TYR A 473
MC5  A   1 (-3.6A)
MC5  A   1 (-3.8A)
MC5  A   1 (-4.4A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.9A)
0.87A 3gwxA-3b0qA:
36.2
3gwxA-3b0qA:
61.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bex TYPE III
PANTOTHENATE KINASE


(Thermotoga
maritima)
PF03309
(Pan_kinase)
5 THR A 130
THR A 131
ILE A 202
ILE A 199
TYR A 140
None
PAU  A 248 (-4.5A)
None
None
None
1.29A 3gwxA-3bexA:
undetectable
3gwxA-3bexA:
22.03
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.
3c4a PROBABLE TRYPTOPHAN
HYDROXYLASE VIOD


(Chromobacterium
violaceum)
no annotation 5 THR A 282
THR A 283
LEU A  58
HIS A  53
LEU A 363
FAD  A 401 (-3.7A)
None
None
None
None
1.27A 3gwxA-3c4aA:
undetectable
3gwxA-3c4aA:
22.54
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.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans)
PF00149
(Metallophos)
5 THR A  32
THR A  33
THR A  35
HIS A 217
LEU A 110
None
None
None
ZN  A 601 (-3.5A)
None
1.22A 3gwxA-3c9fA:
undetectable
3gwxA-3c9fA:
20.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA


(Homo sapiens)
PF00104
(Hormone_recep)
5 CYH A 285
THR A 288
LEU A 339
ILE A 363
ILE A 364
L41  A 501 (-3.5A)
L41  A 501 (-3.0A)
L41  A 501 (-4.8A)
L41  A 501 ( 4.4A)
L41  A 501 ( 4.2A)
1.20A 3gwxA-3d5fA:
39.9
3gwxA-3d5fA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA


(Homo sapiens)
PF00104
(Hormone_recep)
12 CYH A 285
THR A 288
THR A 289
THR A 292
HIS A 323
LEU A 330
ILE A 363
ILE A 364
HIS A 449
MET A 453
LEU A 469
TYR A 473
L41  A 501 (-3.5A)
L41  A 501 (-3.0A)
L41  A 501 (-3.5A)
None
L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
L41  A 501 ( 4.4A)
L41  A 501 ( 4.2A)
L41  A 501 (-3.9A)
L41  A 501 ( 3.7A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
0.54A 3gwxA-3d5fA:
39.9
3gwxA-3d5fA:
99.63
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.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC


(Caulobacter
vibrioides)
PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated)
5 THR A 246
LEU A 203
ILE A 193
ILE A 194
MET A 411
None
1.04A 3gwxA-3epmA:
undetectable
3gwxA-3epmA:
17.73
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.
3h7o GROUP 3 ALLERGEN
SMIPP-S YV6023A04


(Sarcoptes
scabiei)
PF00089
(Trypsin)
5 THR A  15
LEU A 194
ILE A 226
ILE A 222
LEU A 100
None
1.32A 3gwxA-3h7oA:
undetectable
3gwxA-3h7oA:
24.56
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.
3ibh SACCHAROMYCES
CEREVISIAE GTT2


(Saccharomyces
cerevisiae)
PF00043
(GST_C)
PF13417
(GST_N_3)
5 HIS A 133
LEU A 125
ILE A 197
ILE A 193
LEU A  53
GSH  A 234 (-3.4A)
None
None
None
GSH  A 234 ( 4.6A)
1.33A 3gwxA-3ibhA:
undetectable
3gwxA-3ibhA:
23.97
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.
3kl2 PUTATIVE
ISOCHORISMATASE


(Streptomyces
avermitilis)
PF00857
(Isochorismatase)
5 CYH A 181
THR A 185
THR A 188
ILE A  97
LEU A 173
None
0.65A 3gwxA-3kl2A:
undetectable
3gwxA-3kl2A:
22.92
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.
3lhl PUTATIVE AGMATINASE

(Clostridioides
difficile)
PF00491
(Arginase)
5 THR A 229
THR A 227
HIS A 150
ILE A 171
TYR A 143
None
None
PO4  A 305 ( 4.2A)
None
PO4  A 305 ( 4.5A)
1.34A 3gwxA-3lhlA:
undetectable
3gwxA-3lhlA:
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.
3lkb PROBABLE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER, AMINO
ACID BINDING PROTEIN


(Thermus
thermophilus)
PF13458
(Peripla_BP_6)
5 THR A 124
THR A 253
ILE A 296
ILE A 343
TYR A  27
None
1.34A 3gwxA-3lkbA:
undetectable
3gwxA-3lkbA:
24.62
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.
3nnk UREIDOGLYCINE-GLYOXY
LATE
AMINOTRANSFERASE


(Klebsiella
pneumoniae)
PF00266
(Aminotran_5)
5 CYH A 375
THR A 378
THR A 379
ILE A  22
LEU A 302
None
None
None
LLP  A 200 ( 4.1A)
None
1.06A 3gwxA-3nnkA:
undetectable
3gwxA-3nnkA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3olz GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3


(Rattus
norvegicus)
PF01094
(ANF_receptor)
5 CYH A 202
THR A 230
THR A 229
ILE A 210
LEU A 157
None
1.13A 3gwxA-3olzA:
undetectable
3gwxA-3olzA:
21.79
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.
3one ADENOSYLHOMOCYSTEINA
SE


(Lupinus luteus)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 THR A 324
ILE A 387
ILE A 389
MET A 339
LEU A 311
None
1.25A 3gwxA-3oneA:
undetectable
3gwxA-3oneA:
19.88
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.
3s5r TRANSCRIPTIONAL
REGULATOR TETR
FAMILY


(Syntrophus
aciditrophicus)
PF00440
(TetR_N)
5 CYH A  98
THR A 100
ILE A  72
ILE A  94
MET A  71
None
1.16A 3gwxA-3s5rA:
undetectable
3gwxA-3s5rA:
20.50
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.
3tej ENTEROBACTIN
SYNTHASE COMPONENT F


(Escherichia
coli)
PF00550
(PP-binding)
PF00975
(Thioesterase)
5 THR A1166
LEU A1135
ILE A1286
ILE A1283
LEU A1262
None
1.17A 3gwxA-3tejA:
undetectable
3gwxA-3tejA:
19.88
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.
3tqp ENOLASE

(Coxiella
burnetii)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
5 THR A 350
LEU A 338
ILE A 362
ILE A 363
LEU A 322
None
1.22A 3gwxA-3tqpA:
undetectable
3gwxA-3tqpA:
20.91
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.
3txa CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN


(Streptococcus
agalactiae)
PF00092
(VWA)
5 THR A 695
THR A 696
ILE A 603
LEU A 205
TYR A 675
None
1.23A 3gwxA-3txaA:
undetectable
3gwxA-3txaA:
17.66
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.
3uwq OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE


(Vibrio cholerae)
PF00215
(OMPdecase)
5 LEU A 119
ILE A 132
ILE A 130
HIS A 139
LEU A 146
None
1.30A 3gwxA-3uwqA:
undetectable
3gwxA-3uwqA:
21.31
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.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC


(Oryza sativa)
PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5)
5 HIS A 154
ILE A 122
ILE A 165
MET A 120
LEU A 214
None
1.20A 3gwxA-3vueA:
undetectable
3gwxA-3vueA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vwa CYTOPLASMIC EXPORT
PROTEIN 1


(Saccharomyces
cerevisiae)
no annotation 5 THR A 404
THR A 407
LEU A 365
ILE A 381
ILE A 385
None
1.21A 3gwxA-3vwaA:
undetectable
3gwxA-3vwaA:
18.75
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis)
PF00753
(Lactamase_B)
PF07521
(RMMBL)
5 THR A 531
THR A 533
LEU A 512
ILE A 551
ILE A 552
None
1.20A 3gwxA-3zq4A:
undetectable
3gwxA-3zq4A:
19.35
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.
4aur LEOA

(Escherichia
coli)
PF00350
(Dynamin_N)
5 THR A 435
THR A 436
ILE A 549
ILE A 428
LEU A 542
None
1.26A 3gwxA-4aurA:
undetectable
3gwxA-4aurA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c1n CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE,
IRON-SULFUR PROTEIN


(Carboxydothermus
hydrogenoformans)
PF03599
(CdhD)
5 THR B 233
LEU B 238
ILE B 224
ILE B 223
LEU B  34
None
1.30A 3gwxA-4c1nB:
undetectable
3gwxA-4c1nB:
22.80
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.
4f8c CYCLE INHIBITING
FACTOR


(Yersinia
pseudotuberculosis)
PF16374
(CIF)
5 THR A 201
ILE A 230
ILE A 235
HIS A 226
TYR A 175
None
EDO  A 302 ( 4.5A)
EDO  A 302 (-4.6A)
EDO  A 302 (-3.9A)
None
1.01A 3gwxA-4f8cA:
undetectable
3gwxA-4f8cA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fm9 DNA TOPOISOMERASE
2-ALPHA


(Homo sapiens)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C)
5 THR A 460
THR A 540
LEU A 553
ILE A 513
ILE A 510
None
1.23A 3gwxA-4fm9A:
undetectable
3gwxA-4fm9A:
16.14
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.
4jz7 CARBAMATE KINASE

(Giardia
intestinalis)
PF00696
(AA_kinase)
5 THR A 286
THR A 289
ILE A 295
ILE A 234
LEU A 258
None
0.92A 3gwxA-4jz7A:
undetectable
3gwxA-4jz7A:
22.35
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.
4pfy ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN


(Thermotoga
maritima)
PF00496
(SBP_bac_5)
5 THR A 436
ILE A 394
ILE A 397
LEU A 422
TYR A 418
None
1.22A 3gwxA-4pfyA:
undetectable
3gwxA-4pfyA:
18.88
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A


(Saccharomyces
cerevisiae)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
5 CYH A 497
THR A 498
LEU A  79
MET A 420
TYR A 485
None
1.33A 3gwxA-4ptfA:
undetectable
3gwxA-4ptfA:
11.45
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.
4qxa RAS-RELATED PROTEIN
RAB-9A


(Mus musculus)
PF00071
(Ras)
5 THR A 126
THR A 153
THR A 159
ILE A 121
LEU A  23
None
1.02A 3gwxA-4qxaA:
undetectable
3gwxA-4qxaA:
20.21
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.
4rf7 ARGININE KINASE

(Anthopleura
japonica)
PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN)
5 HIS A 216
LEU A 160
ILE A 235
ILE A 234
LEU A 185
None
1.26A 3gwxA-4rf7A:
undetectable
3gwxA-4rf7A:
17.19
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.
4s28 PHOSPHOMETHYLPYRIMID
INE SYNTHASE,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF01964
(ThiC_Rad_SAM)
5 THR A 255
LEU A 212
ILE A 202
ILE A 203
MET A 420
None
1.09A 3gwxA-4s28A:
undetectable
3gwxA-4s28A:
19.61
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.
4wpz CYTOCHROME P450

(Streptomyces
avermitilis)
PF00067
(p450)
5 THR A 288
THR A 287
THR A 286
ILE A   9
LEU A  26
None
K  A 501 (-3.5A)
None
None
None
1.18A 3gwxA-4wpzA:
undetectable
3gwxA-4wpzA:
22.58
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.
4y07 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2


(Homo sapiens)
PF00632
(HECT)
5 THR A 799
THR A 837
ILE A 755
ILE A 792
LEU A 812
None
1.18A 3gwxA-4y07A:
undetectable
3gwxA-4y07A:
21.37
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.
4yte H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ0715


(Methanocaldococcus
jannaschii)
no annotation 5 THR A 115
THR A  89
ILE A 111
ILE A  84
LEU A 123
None
1.35A 3gwxA-4yteA:
undetectable
3gwxA-4yteA:
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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT


(Escherichia
coli)
PF01555
(N6_N4_Mtase)
5 THR A 446
THR A 447
THR A 450
LEU A 422
ILE A 197
None
0.90A 3gwxA-4zcfA:
undetectable
3gwxA-4zcfA:
19.54
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.
4zv6 ALPHAREP-7

(synthetic
construct)
PF13646
(HEAT_2)
5 THR A 250
LEU A 224
ILE A 237
MET A 267
TYR A 285
None
1.13A 3gwxA-4zv6A:
undetectable
3gwxA-4zv6A:
21.22
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.
5b7d LYSR FAMILY
TRANSCRIPTIONAL
REGULATOR


(Vibrio
vulnificus)
PF03466
(LysR_substrate)
5 THR A 137
THR A 136
THR A 135
HIS A 210
LEU A 153
None
0.82A 3gwxA-5b7dA:
undetectable
3gwxA-5b7dA:
21.58
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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
TRANSMEMBRANE
PROTEIN ECFT


(Lactobacillus
delbrueckii)
PF02361
(CbiQ)
5 THR D 127
THR D 129
ILE D  32
ILE D 119
LEU D  25
None
1.29A 3gwxA-5d3mD:
undetectable
3gwxA-5d3mD:
23.40
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.
5d9a POLYMERASE ACIDIC
PROTEIN


(Influenza C
virus)
PF00603
(Flu_PA)
5 CYH A 570
THR A 573
THR A 574
THR A 577
LEU A 426
None
0.98A 3gwxA-5d9aA:
undetectable
3gwxA-5d9aA:
16.64
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.
5dcq ARTIFICIAL REPEAT
PROTEINS (ALPHAREP3)


(synthetic
construct)
PF03130
(HEAT_PBS)
PF13646
(HEAT_2)
5 THR A 125
LEU A  99
ILE A 112
MET A 142
TYR A 160
None
1.13A 3gwxA-5dcqA:
undetectable
3gwxA-5dcqA:
21.45
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.
5ec3 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE


(Homo sapiens)
PF00903
(Glyoxalase)
PF13669
(Glyoxalase_4)
5 THR A 337
HIS A 266
LEU A 269
HIS A 183
LEU A 367
THR  A 337 ( 0.8A)
HIS  A 266 (-1.0A)
LEU  A 269 ( 0.6A)
HIS  A 183 (-1.0A)
LEU  A 367 ( 0.6A)
1.29A 3gwxA-5ec3A:
undetectable
3gwxA-5ec3A:
21.89
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.
5ere EXTRACELLULAR
LIGAND-BINDING
RECEPTOR


(Desulfohalobium
retbaense)
PF13458
(Peripla_BP_6)
5 LEU A 588
ILE A 370
ILE A 496
MET A 374
LEU A 454
None
1.33A 3gwxA-5ereA:
undetectable
3gwxA-5ereA:
20.73
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.
5f0k VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 35


(Homo sapiens)
PF03635
(Vps35)
5 THR A 375
THR A 376
LEU A 350
ILE A 404
LEU A 424
None
1.18A 3gwxA-5f0kA:
undetectable
3gwxA-5f0kA:
22.37
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.
5fn4 NICASTRIN

(Homo sapiens)
PF05450
(Nicastrin)
5 THR A 561
THR A 564
THR A 563
ILE A 338
LEU A 627
None
0.97A 3gwxA-5fn4A:
undetectable
3gwxA-5fn4A:
16.71
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR


(Homo sapiens)
PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385)
5 THR A1977
LEU A2005
ILE A2151
ILE A2150
LEU A2236
None
1.26A 3gwxA-5h64A:
undetectable
3gwxA-5h64A:
7.90
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.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B


(Homo sapiens)
no annotation 5 THR A 198
LEU A 221
ILE A 233
ILE A 229
LEU A 251
None
1.25A 3gwxA-5hdtA:
undetectable
3gwxA-5hdtA:
13.58
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.
5hgc SERPIN

(Taeniopygia
guttata)
PF00079
(Serpin)
5 THR A  64
HIS A  98
LEU A 145
ILE A 326
LEU A  82
None
BDG  A 505 ( 4.6A)
None
None
None
1.09A 3gwxA-5hgcA:
undetectable
3gwxA-5hgcA:
20.94
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER


(Shigella
flexneri)
PF02395
(Peptidase_S6)
5 THR A 619
THR A 620
HIS A 611
HIS A 566
MET A 564
None
1.23A 3gwxA-5j44A:
undetectable
3gwxA-5j44A:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lkm DNA REPAIR PROTEIN
RADA


(Streptococcus
pneumoniae)
PF13481
(AAA_25)
PF13541
(ChlI)
5 THR A 324
THR A 323
LEU A 361
ILE A 374
MET A 335
None
1.34A 3gwxA-5lkmA:
undetectable
3gwxA-5lkmA:
23.25
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.
5lkq DNA REPAIR PROTEIN
RADA


(Streptococcus
pneumoniae)
PF13541
(ChlI)
5 THR A 324
THR A 323
LEU A 361
ILE A 374
MET A 335
None
1.30A 3gwxA-5lkqA:
undetectable
3gwxA-5lkqA:
22.81
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1)
no annotation 5 THR A  82
THR A  84
ILE A 760
MET A 810
LEU A 777
None
1.17A 3gwxA-5nd1A:
undetectable
3gwxA-5nd1A:
16.06
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.
5nnb ISATIN HYDROLASE A

(Labrenzia
aggregata)
no annotation 5 CYH A 108
THR A 145
THR A 189
ILE A 125
ILE A 124
None
1.35A 3gwxA-5nnbA:
undetectable
3gwxA-5nnbA:
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.
5td3 CATECHOL
1,2-DIOXYGENASE


(Burkholderia
vietnamiensis)
PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N)
5 THR A 250
THR A 115
HIS A 235
ILE A 147
TYR A 175
None
None
ZN  A 401 (-3.2A)
None
ZN  A 401 (-4.2A)
1.20A 3gwxA-5td3A:
undetectable
3gwxA-5td3A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5td3 CATECHOL
1,2-DIOXYGENASE


(Burkholderia
vietnamiensis)
PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N)
5 THR A 250
THR A 115
HIS A 235
ILE A 295
TYR A 175
None
None
ZN  A 401 (-3.2A)
None
ZN  A 401 (-4.2A)
1.32A 3gwxA-5td3A:
undetectable
3gwxA-5td3A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5txr 5-AMINOLEVULINATE
SYNTHASE,
MITOCHONDRIAL


(Saccharomyces
cerevisiae)
no annotation 5 CYH B 119
THR B 463
THR B 465
ILE B 438
LEU B 476
None
1.33A 3gwxA-5txrB:
undetectable
3gwxA-5txrB:
12.55
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.
5umh CATECHOL
1,2-DIOXYGENASE


(Burkholderia
multivorans)
PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N)
5 THR A 239
THR A 104
HIS A 224
ILE A 136
TYR A 164
None
None
ZN  A 401 ( 3.3A)
None
ZN  A 401 ( 4.2A)
1.24A 3gwxA-5umhA:
undetectable
3gwxA-5umhA:
21.32
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.
5umh CATECHOL
1,2-DIOXYGENASE


(Burkholderia
multivorans)
PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N)
5 THR A 239
THR A 104
HIS A 224
ILE A 284
TYR A 164
None
None
ZN  A 401 ( 3.3A)
None
ZN  A 401 ( 4.2A)
1.28A 3gwxA-5umhA:
undetectable
3gwxA-5umhA:
21.32
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.
5uuo GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN


(Novosphingobium
aromaticivorans)
no annotation 5 THR B  63
LEU B 262
ILE B 289
LEU B 214
TYR B 209
None
1.33A 3gwxA-5uuoB:
undetectable
3gwxA-5uuoB:
15.10
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.
5x2q TASTE RECEPTOR, TYPE
1, MEMBER 2A


(Oryzias latipes)
PF01094
(ANF_receptor)
5 THR A 141
HIS A 100
ILE A  42
ILE A  64
LEU A  39
GLY  A 951 (-4.4A)
None
None
None
None
1.30A 3gwxA-5x2qA:
undetectable
3gwxA-5x2qA:
18.16
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.
5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE


(Vibrio sp. EJY3)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 THR A  38
THR A  37
ILE A  84
MET A  88
LEU A  65
None
1.15A 3gwxA-5xd7A:
undetectable
3gwxA-5xd7A:
21.90
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)


(Toxoplasma
gondii)
no annotation 5 THR A 593
THR A 592
LEU A 480
ILE A 356
ILE A 350
None
ANP  A1001 (-2.7A)
None
None
None
1.22A 3gwxA-5xiiA:
undetectable
3gwxA-5xiiA:
13.92
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)


(Cryptosporidium
parvum)
no annotation 5 THR A 369
THR A 374
HIS A 367
ILE A 442
ILE A 439
None
ANP  A 803 (-4.3A)
None
None
None
1.30A 3gwxA-5xioA:
undetectable
3gwxA-5xioA:
16.04
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.
5xyn PLATINUM SENSITIVITY
PROTEIN 3


(Saccharomyces
cerevisiae)
no annotation 5 LEU A  60
ILE A 222
ILE A 223
MET A 216
LEU A 138
None
1.26A 3gwxA-5xynA:
undetectable
3gwxA-5xynA:
23.45
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.
5xyn PLATINUM SENSITIVITY
PROTEIN 3


(Saccharomyces
cerevisiae)
no annotation 5 LEU A  60
ILE A 222
MET A 216
LEU A 138
TYR A 215
None
1.18A 3gwxA-5xynA:
undetectable
3gwxA-5xynA:
23.45
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.
5y0m -

(-)
no annotation 5 THR A 315
LEU A 213
ILE A 104
ILE A  75
LEU A 283
None
1.33A 3gwxA-5y0mA:
undetectable
3gwxA-5y0mA:
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.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR


(Homo sapiens)
no annotation 5 THR A2364
LEU A2338
ILE A2470
MET A2543
LEU A2349
None
1.31A 3gwxA-5yz0A:
undetectable
3gwxA-5yz0A:
15.42
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.
6aph ADENOSYLHOMOCYSTEINA
SE


(Elizabethkingia
anophelis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 THR A 280
ILE A 341
ILE A 343
MET A 295
LEU A 267
None
1.31A 3gwxA-6aphA:
undetectable
3gwxA-6aphA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eks SIALIDASE

(Vibrio cholerae)
no annotation 5 THR A 481
THR A 480
THR A 479
LEU A 447
ILE A 422
None
1.35A 3gwxA-6eksA:
undetectable
3gwxA-6eksA:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae)
no annotation 5 THR A 826
LEU A1286
ILE A  60
HIS A1221
TYR A   4
None
1.32A 3gwxA-6eojA:
undetectable
3gwxA-6eojA:
12.47
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.
6eyy ACRIIA6

(Streptococcus
phage 73)
no annotation 5 LEU A  12
ILE A   3
ILE A  48
MET A   1
LEU A  69
None
1.25A 3gwxA-6eyyA:
undetectable
3gwxA-6eyyA:
15.50
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.
6ez8 HUNTINGTIN

(Homo sapiens)
no annotation 5 THR A2252
LEU A2303
HIS A2183
LEU A2201
TYR A2197
None
1.33A 3gwxA-6ez8A:
undetectable
3gwxA-6ez8A:
10.19
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 1,
MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
4, MITOCHONDRIAL


(Mus musculus)
no annotation 5 CYH F 405
THR F 403
ILE F 185
LEU F 205
TYR Q 118
SF4  F 502 (-2.2A)
SF4  F 502 ( 4.0A)
SF4  F 502 ( 4.2A)
None
None
1.11A 3gwxA-6g2jF:
undetectable
3gwxA-6g2jF:
14.02
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5


(Mus musculus)
no annotation 5 THR L 284
THR L 285
THR L 288
LEU L 310
ILE L 395
None
1.16A 3gwxA-6g2jL:
undetectable
3gwxA-6g2jL:
14.02