SIMILAR PATTERNS OF AMINO ACIDS FOR 3JW5_B_TOPB208_1

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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 LEU A 406
ILE A 363
LEU A 368
PHE A 374
THR A 347
 None
 1.15A 3jw5B-1aorA:
undetectable		 3jw5B-1aorA:
13.57
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.
1clw TAILSPIKE PROTEIN

(Salmonella
virus P22) 		PF09251
(PhageP22-tail) 		5 LEU A 144
LEU A 133
VAL A 158
ILE A 190
LEU A 262
 None
 1.20A 3jw5B-1clwA:
undetectable		 3jw5B-1clwA:
14.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		5 ALA A   9
GLU A  30
ILE A  60
LEU A  67
THR A 136
 HBI  A 198 ( 3.6A)
HBI  A 198 (-3.0A)
None
None
HBI  A 198 ( 4.5A)
 0.86A 3jw5B-1dr6A:
21.3		 3jw5B-1dr6A:
31.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		5 ALA A   9
LEU A  22
GLU A  30
LEU A  67
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-3.0A)
None
HBI  A 198 ( 4.5A)
 0.59A 3jw5B-1dr6A:
21.3		 3jw5B-1dr6A:
31.96
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.
1ee0 2-PYRONE SYNTHASE

(Gerbera hybrid
cultivar) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A 171
LEU A 348
VAL A 347
ILE A 244
LEU A 389
 None
 1.05A 3jw5B-1ee0A:
undetectable		 3jw5B-1ee0A:
17.22
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.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		5 MET A 164
LEU A 321
LEU A 366
VAL A 369
ILE A 203
 None
 1.12A 3jw5B-1gjuA:
undetectable		 3jw5B-1gjuA:
14.40
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.
1gmi PROTEIN KINASE C,
EPSILON TYPE

(Rattus rattus) 		PF00168
(C2) 		5 LEU A  44
VAL A  73
ILE A 129
LEU A 131
PHE A 102
 None
 1.01A 3jw5B-1gmiA:
undetectable		 3jw5B-1gmiA:
17.68
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.
1n3s GTP CYCLOHYDROLASE I

(Escherichia
coli) 		PF01227
(GTP_cyclohydroI) 		5 GLU A  20
LEU A  14
ILE A 140
LEU A 165
PHE A  83
 None
 1.15A 3jw5B-1n3sA:
undetectable		 3jw5B-1n3sA:
20.19
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 LEU A 312
VAL A 330
ILE A 407
LEU A 348
PHE A 365
 None
 1.10A 3jw5B-1n5xA:
undetectable		 3jw5B-1n5xA:
8.14
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.
1n7f AMPA RECEPTOR
INTERACTING PROTEIN
GRIP

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 ALA A 712
LEU A 748
LEU A 682
ILE A 686
THR A 710
 None
 1.12A 3jw5B-1n7fA:
undetectable		 3jw5B-1n7fA:
18.52
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.
1nsv GALACTOSE MUTAROTASE

(Lactococcus
lactis) 		PF01263
(Aldose_epim) 		5 ALA A  69
LEU A  95
VAL A 277
LEU A 198
THR A 168
 None
BGC  A1400 (-4.6A)
None
None
None
 1.14A 3jw5B-1nsvA:
undetectable		 3jw5B-1nsvA:
18.29
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.
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima) 		PF00117
(GATase) 		5 LEU A 221
LEU A  85
VAL A 168
ILE A 174
PHE A 125
 None
 1.16A 3jw5B-1o1yA:
2.3		 3jw5B-1o1yA:
21.46
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.
1ozn RETICULON 4 RECEPTOR

(Homo sapiens) 		PF13855
(LRR_8) 		5 LEU A 142
ILE A  96
LEU A 112
PHE A 126
THR A 173
 None
 1.12A 3jw5B-1oznA:
undetectable		 3jw5B-1oznA:
14.18
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.
1p68 DE NOVO DESIGNED
PROTEIN S-824

(Escherichia
coli) 		no annotation 5 MET A  60
LEU A  37
VAL A  40
ILE A  92
LEU A   9
 None
 1.19A 3jw5B-1p68A:
undetectable		 3jw5B-1p68A:
19.14
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.
1qd9 PURINE REGULATORY
PROTEIN YABJ

(Bacillus
subtilis) 		PF01042
(Ribonuc_L-PSP) 		5 ALA A 101
VAL A  71
ILE A 118
LEU A  57
PHE A  95
 None
 1.17A 3jw5B-1qd9A:
undetectable		 3jw5B-1qd9A:
20.11
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.
1rqj GERANYLTRANSTRANSFER
ASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		5 ALA A  89
LEU A 146
LEU A 213
VAL A  73
LEU A 206
 None
 1.14A 3jw5B-1rqjA:
undetectable		 3jw5B-1rqjA:
17.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		5 ALA A   9
GLU A  30
ILE A  60
LEU A  67
THR A 136
 NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-4.4A)
 0.74A 3jw5B-1u70A:
20.8		 3jw5B-1u70A:
31.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ALA A   9
GLU A  30
ILE A  60
LEU A  67
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
 0.67A 3jw5B-1u71A:
21.1		 3jw5B-1u71A:
31.94
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.
1v4u HEMOGLOBIN BETA
CHAIN

(Thunnus thynnus) 		PF00042
(Globin) 		5 LEU B 134
LEU B  71
VAL B  75
ILE B 114
LEU B  18
 None
HEM  B 147 ( 4.7A)
None
None
None
 1.12A 3jw5B-1v4uB:
undetectable		 3jw5B-1v4uB:
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.
1wls L-ASPARAGINASE

(Pyrococcus
horikoshii) 		PF00710
(Asparaginase) 		5 LEU A 244
LEU A 229
VAL A 257
ILE A 215
LEU A 203
 None
 1.18A 3jw5B-1wlsA:
undetectable		 3jw5B-1wlsA:
18.02
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.
1zcz BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Thermotoga
maritima) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 ALA A  45
LEU A   8
VAL A   6
ILE A  17
LEU A 120
 None
 1.13A 3jw5B-1zczA:
undetectable		 3jw5B-1zczA:
16.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  20
LEU A  28
LEU A  54
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.58A 3jw5B-1zdrA:
25.8		 3jw5B-1zdrA:
52.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  28
ILE A  50
LEU A  54
THR A 115
 None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.58A 3jw5B-1zdrA:
25.8		 3jw5B-1zdrA:
52.73
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
LEU A  45
ILE A 121
LEU A 128
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 (-4.1A)
 0.89A 3jw5B-2blbA:
20.9		 3jw5B-2blbA:
24.49
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.
2drw D-AMINO ACID AMIDASE

(Ochrobactrum
anthropi) 		PF00144
(Beta-lactamase) 		5 ALA A 326
LEU A 304
LEU A 294
PHE A 260
THR A 324
 None
 1.17A 3jw5B-2drwA:
undetectable		 3jw5B-2drwA:
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.
2e5v L-ASPARTATE OXIDASE

(Sulfurisphaera
tokodaii) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ALA A 196
LEU A 141
LEU A 168
VAL A 151
THR A 201
 None
FAD  A1002 (-4.6A)
None
None
None
 1.09A 3jw5B-2e5vA:
undetectable		 3jw5B-2e5vA:
16.31
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.
2f9h PTS SYSTEM, IIA
COMPONENT

(Enterococcus
faecalis) 		PF03829
(PTSIIA_gutA) 		5 MET A   5
ALA A   7
LEU A  78
VAL A  50
ILE A  67
 None
 1.14A 3jw5B-2f9hA:
undetectable		 3jw5B-2f9hA:
18.82
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.
2fi1 HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Streptococcus
pneumoniae) 		PF13419
(HAD_2) 		5 LEU A  91
VAL A  87
ILE A 158
LEU A 184
THR A 118
 None
 1.12A 3jw5B-2fi1A:
2.9		 3jw5B-2fi1A:
21.65
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
LEU A  25
LEU A  33
ILE A  62
LEU A  67
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 4.2A)
 0.70A 3jw5B-2oipA:
21.4		 3jw5B-2oipA:
16.60
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.
2pa4 UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00483
(NTP_transferase) 		5 ALA A 121
LEU A 228
VAL A 138
ILE A 245
LEU A 166
 UPG  A 326 (-3.5A)
None
None
None
None
 1.13A 3jw5B-2pa4A:
undetectable		 3jw5B-2pa4A:
19.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		10 MET A   6
ALA A   8
LEU A  21
GLU A  28
LEU A  29
VAL A  32
ILE A  51
LEU A  55
PHE A  96
THR A 115
 MTX  A 200 ( 4.1A)
MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.7A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 3.9A)
MTX  A 200 ( 4.4A)
 0.58A 3jw5B-2qk8A:
28.4		 3jw5B-2qk8A:
98.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9y ALPHA-2-ANTIPLASMIN

(Mus musculus) 		PF00079
(Serpin) 		5 MET A 275
ALA A 261
LEU A 309
VAL A 384
LEU A 312
 None
 1.21A 3jw5B-2r9yA:
undetectable		 3jw5B-2r9yA:
17.02
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.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		5 LEU A 189
LEU A 178
VAL A 203
ILE A 235
LEU A 307
 None
 1.13A 3jw5B-2v5iA:
undetectable		 3jw5B-2v5iA:
13.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA A   7
LEU A  20
LEU A  28
ILE A  50
LEU A  54
PHE A  92
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 3.9A)
TOP  A1160 ( 4.5A)
 0.53A 3jw5B-2w9sA:
26.1		 3jw5B-2w9sA:
43.64
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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 ALA A 451
LEU A 331
ILE A 470
LEU A 466
PHE A 478
 None
 1.11A 3jw5B-2xr1A:
2.2		 3jw5B-2xr1A:
13.08
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.
2z7x TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU A 522
LEU A 492
VAL A 514
ILE A 528
LEU A 530
 None
 1.17A 3jw5B-2z7xA:
undetectable		 3jw5B-2z7xA:
14.85
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.
3a79 TOLL-LIKE RECEPTOR
6, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU B 269
LEU B 281
VAL B 254
ILE B 259
THR B 246
 None
 1.17A 3jw5B-3a79B:
undetectable		 3jw5B-3a79B:
13.07
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 ALA A 465
LEU A 346
ILE A 484
LEU A 480
PHE A 492
 None
 1.14A 3jw5B-3af5A:
undetectable		 3jw5B-3af5A:
11.86
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.
3awk CHALCONE
SYNTHASE-LIKE
POLYKETIDE SYNTHASE

(Huperzia
serrata) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A 176
LEU A 353
VAL A 352
ILE A 249
LEU A 394
 None
 1.12A 3jw5B-3awkA:
undetectable		 3jw5B-3awkA:
16.62
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.
3b9j XANTHINE OXIDASE

(Bos taurus) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU B 312
VAL B 330
ILE B 407
LEU B 348
PHE B 365
 None
 1.12A 3jw5B-3b9jB:
undetectable		 3jw5B-3b9jB:
18.42
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.
3bf8 ESTERASE YBFF

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 ALA A 238
LEU A  32
VAL A  34
ILE A 248
LEU A  39
 None
 1.18A 3jw5B-3bf8A:
undetectable		 3jw5B-3bf8A:
19.07
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 ALA A 936
LEU A 985
LEU A1018
VAL A 946
LEU A 778
 None
 1.03A 3jw5B-3bgaA:
undetectable		 3jw5B-3bgaA:
9.58
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.
3bzm MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		5 LEU A 377
GLU A  88
ILE A  94
LEU A 109
PHE A  82
 None
 1.07A 3jw5B-3bzmA:
undetectable		 3jw5B-3bzmA:
17.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  19
LEU A  27
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.37A 3jw5B-3dfrA:
25.0		 3jw5B-3dfrA:
37.57
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.
3dwl ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 1

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		5 ALA C   2
LEU C 276
ILE C 360
LEU C 258
PHE C 363
 None
 1.14A 3jw5B-3dwlC:
undetectable		 3jw5B-3dwlC:
16.76
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.
3eez PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  33
LEU A 360
GLU A  49
LEU A 299
THR A  51
 None
 1.19A 3jw5B-3eezA:
undetectable		 3jw5B-3eezA:
15.64
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.
3f0h AMINOTRANSFERASE

([Eubacterium]
rectale) 		PF00266
(Aminotran_5) 		5 ALA A 299
LEU A 351
ILE A 316
LEU A 344
THR A 298
 None
 1.14A 3jw5B-3f0hA:
undetectable		 3jw5B-3f0hA:
19.29
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.
3ggr CELL CYCLE
CHECKPOINT CONTROL
PROTEIN RAD9A

(Homo sapiens) 		PF04139
(Rad9) 		5 MET A  77
VAL A  17
ILE A  99
PHE A  80
THR A  40
 None
 1.11A 3jw5B-3ggrA:
undetectable		 3jw5B-3ggrA:
19.93
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.
3gms PUTATIVE
NADPH:QUINONE
REDUCTASE

(Bacillus
thuringiensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 227
LEU A 231
ILE A 216
LEU A 138
THR A 207
 None
 1.21A 3jw5B-3gmsA:
3.2		 3jw5B-3gmsA:
19.71
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.
3gtm TRANSCRIPTION
ELONGATION FACTOR
S-II

(Saccharomyces
cerevisiae) 		PF01096
(TFIIS_C)
PF07500
(TFIIS_M) 		5 ALA S 237
LEU S 228
VAL S 206
ILE S 178
LEU S 156
 None
 1.16A 3jw5B-3gtmS:
undetectable		 3jw5B-3gtmS:
18.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ALA X   7
LEU X  20
LEU X  28
VAL X  31
ILE X  50
LEU X  54
PHE X  92
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-4.4A)
None
N22  X 219 (-4.6A)
None
N22  X 219 ( 3.7A)
N22  X 219 (-4.4A)
 0.59A 3jw5B-3i8aX:
26.1		 3jw5B-3i8aX:
44.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		6 ALA A   8
GLU A  28
LEU A  29
ILE A  51
LEU A  55
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-4.3A)
 0.40A 3jw5B-3ia4A:
26.3		 3jw5B-3ia4A:
43.83
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.
3iey NEQ261
TRNA-SPLICING
ENDONUCLEASE

(Nanoarchaeum
equitans) 		PF01974
(tRNA_int_endo)
PF02778
(tRNA_int_endo_N) 		5 ALA A 128
VAL A 149
ILE B 134
LEU B 132
PHE A 121
 None
 1.22A 3jw5B-3ieyA:
undetectable		 3jw5B-3ieyA:
17.93
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.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 265
LEU A 261
LEU A 116
ILE A 100
LEU A 111
 None
 1.13A 3jw5B-3iwaA:
undetectable		 3jw5B-3iwaA:
18.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		6 ALA A  10
LEU A  23
GLU A  30
LEU A  31
LEU A  58
THR A 119
 MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.47A 3jw5B-3ix9A:
26.1		 3jw5B-3ix9A:
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.
3j2j PROTEIN VP2

(Enterovirus B) 		PF00073
(Rhv) 		5 ALA C  95
LEU C  77
ILE C  99
LEU C 212
PHE C 210
 None
 1.15A 3jw5B-3j2jC:
undetectable		 3jw5B-3j2jC:
20.75
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.
3kkc TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptococcus
agalactiae) 		PF00440
(TetR_N)
PF14278
(TetR_C_8) 		5 LEU A 153
LEU A  85
ILE A  95
LEU A  68
PHE A 110
 None
 1.12A 3jw5B-3kkcA:
undetectable		 3jw5B-3kkcA:
24.87
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.
3ns1 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU B 312
VAL B 330
ILE B 407
LEU B 348
PHE B 365
 None
 1.04A 3jw5B-3ns1B:
undetectable		 3jw5B-3ns1B:
18.51
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.
3p04 UNCHARACTERIZED BCR

(Corynebacterium
glutamicum) 		PF04472
(SepF) 		5 ALA A  86
LEU A 115
VAL A 133
ILE A 108
PHE A  95
 None
 1.20A 3jw5B-3p04A:
undetectable		 3jw5B-3p04A:
13.86
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.
3pdw UNCHARACTERIZED
HYDROLASE YUTF

(Bacillus
subtilis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 LEU A 204
VAL A 206
ILE A 258
LEU A  34
PHE A  30
 None
 0.97A 3jw5B-3pdwA:
undetectable		 3jw5B-3pdwA:
19.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  21
LEU A  29
ILE A  51
LEU A  55
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-4.3A)
 0.47A 3jw5B-3tq9A:
25.7		 3jw5B-3tq9A:
38.76
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.
3v4o MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 ALA A 345
LEU A 369
LEU A 460
VAL A 458
LEU A 528
 None
 1.18A 3jw5B-3v4oA:
2.2		 3jw5B-3v4oA:
19.92
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.
4du6 GTP CYCLOHYDROLASE 1

(Yersinia pestis) 		PF01227
(GTP_cyclohydroI) 		5 ALA A 123
LEU A 198
LEU A 213
VAL A 216
THR A  99
 None
 1.13A 3jw5B-4du6A:
undetectable		 3jw5B-4du6A:
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.
4du6 GTP CYCLOHYDROLASE 1

(Yersinia pestis) 		PF01227
(GTP_cyclohydroI) 		5 GLU A  21
LEU A  15
ILE A 139
LEU A 164
PHE A  82
 None
 1.18A 3jw5B-4du6A:
undetectable		 3jw5B-4du6A:
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		6 ALA X  12
LEU X  25
GLU X  32
ILE X  65
LEU X  72
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 (-4.5A)
 0.90A 3jw5B-4g8zX:
21.1		 3jw5B-4g8zX:
27.59
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.
4gax AMORPHA-4,11-DIENE
SYNTHASE

(Artemisia annua) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ALA A 175
LEU A 193
LEU A 144
VAL A 140
THR A 178
 None
 1.16A 3jw5B-4gaxA:
undetectable		 3jw5B-4gaxA:
15.97
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.
4gs5 ACYL-COA SYNTHETASE
(AMP-FORMING)/AMP-AC
ID LIGASE II-LIKE
PROTEIN

(Dyadobacter
fermentans) 		PF00501
(AMP-binding) 		5 LEU A 161
LEU A 152
VAL A 172
ILE A 134
LEU A 147
 None
 1.12A 3jw5B-4gs5A:
undetectable		 3jw5B-4gs5A:
19.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ALA A  11
GLU A  32
ILE A  62
LEU A  69
THR A 133
 14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.6A)
 0.67A 3jw5B-4h96A:
18.3		 3jw5B-4h96A:
33.16
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ALA A  11
LEU A  25
GLU A  32
ILE A  62
LEU A  69
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
14Q  A 302 (-4.2A)
None
14Q  A 302 (-4.2A)
 0.68A 3jw5B-4h98A:
19.3		 3jw5B-4h98A:
28.25
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 11
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00420
(Oxidored_q2) 		5 ALA N 144
LEU K  35
GLU N 112
LEU K  72
PHE N 137
 None
 1.20A 3jw5B-4heaN:
undetectable		 3jw5B-4heaN:
12.62
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.
4i1p MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 ALA A 345
LEU A 369
LEU A 460
VAL A 458
LEU A 528
 None
 1.18A 3jw5B-4i1pA:
2.0		 3jw5B-4i1pA:
17.17
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.
4i4j ACP-POLYENE
THIOESTERASE

(Streptomyces
globisporus) 		PF13279
(4HBT_2) 		5 LEU A  60
GLU A  40
LEU A  43
LEU A 141
PHE A  95
 None
 1.21A 3jw5B-4i4jA:
undetectable		 3jw5B-4i4jA:
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 ALA A  96
LEU A  68
LEU A  59
ILE A 103
LEU A  74
 None
 1.21A 3jw5B-4ineA:
2.2		 3jw5B-4ineA:
17.86
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.
4m4w PRIMOSOMAL PROTEIN
DNAI

(Bacillus
subtilis) 		PF01695
(IstB_IS21)
PF07319
(DnaI_N) 		5 MET J 120
LEU J 204
LEU J 217
VAL J 220
ILE J 245
 None
 1.14A 3jw5B-4m4wJ:
undetectable		 3jw5B-4m4wJ:
19.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  20
LEU A  28
LEU A  55
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.54A 3jw5B-4m7vA:
25.8		 3jw5B-4m7vA:
40.94
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.
4oec GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Thermococcus
kodakarensis) 		PF03009
(GDPD) 		5 GLU A  91
LEU A  90
VAL A  50
ILE A 130
LEU A 107
 None
 1.20A 3jw5B-4oecA:
undetectable		 3jw5B-4oecA:
19.28
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.
4oxx CINDOXIN

(Citrobacter
braakii) 		PF00258
(Flavodoxin_1) 		5 LEU A  82
LEU A  45
ILE A  52
PHE A  71
THR A  78
 None
 1.18A 3jw5B-4oxxA:
2.2		 3jw5B-4oxxA:
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.
4rct RESTRICTION
ENDONUCLEASE
R.NGOVII

(Neisseria
gonorrhoeae) 		PF09565
(RE_NgoFVII) 		5 MET A  23
LEU A 125
ILE A  60
LEU A  51
PHE A  26
 None
 1.17A 3jw5B-4rctA:
undetectable		 3jw5B-4rctA:
19.89
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.
4rcw SLIT AND NTRK-LIKE
PROTEIN 1

(Homo sapiens) 		PF13855
(LRR_8) 		5 LEU A 435
ILE A 390
LEU A 406
PHE A 419
THR A 466
 None
 1.20A 3jw5B-4rcwA:
undetectable		 3jw5B-4rcwA:
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.
5czv NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 3

(Homo sapiens) 		PF00066
(Notch)
PF06816
(NOD)
PF07684
(NODP) 		6 ALA A1604
LEU A1543
LEU A1515
VAL A1629
ILE A1538
LEU A1620
 None
 1.14A 3jw5B-5czvA:
undetectable		 3jw5B-5czvA:
18.91
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.
5dzv PROTEIN PCDHA7

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		5 ALA A 128
LEU A 163
LEU A 183
VAL A 197
LEU A 111
 None
 1.09A 3jw5B-5dzvA:
undetectable		 3jw5B-5dzvA:
14.43
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.
5dzw PROTOCADHERIN
ALPHA-4

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		5 ALA A 128
LEU A 163
LEU A 183
VAL A 197
LEU A 111
 None
 1.19A 3jw5B-5dzwA:
undetectable		 3jw5B-5dzwA:
16.23
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.
5euh PUTATIVE GGDEF
DOMAIN MEMBRANE
PROTEIN

(Pseudomonas
fluorescens) 		PF00990
(GGDEF) 		5 ALA A 401
VAL A 415
ILE A 438
LEU A 427
THR A 345
 None
None
C2E  A 601 (-4.8A)
C2E  A 601 ( 4.4A)
None
 1.11A 3jw5B-5euhA:
undetectable		 3jw5B-5euhA:
19.46
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.
5fd2 SERINE/THREONINE-PRO
TEIN KINASE B-RAF

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 598
GLU A 501
LEU A 505
VAL A 504
ILE A 513
 None
None
5XJ  A 801 (-3.8A)
None
None
 1.14A 3jw5B-5fd2A:
undetectable		 3jw5B-5fd2A:
21.07
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.
5gjv VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		PF00520
(Ion_trans)
PF08763
(Ca_chan_IQ)
PF16905
(GPHH) 		5 ALA A1266
LEU A 914
VAL A 917
ILE A1274
LEU A1371
 None
None
None
PC1  A1915 ( 4.6A)
None
 1.15A 3jw5B-5gjvA:
undetectable		 3jw5B-5gjvA:
6.66
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.
5hzg F-BOX/LRR-REPEAT
MAX2 HOMOLOG

(Oryza sativa) 		no annotation 5 LEU B 627
LEU B 615
ILE B 661
LEU B 642
PHE B 673
 None
 1.19A 3jw5B-5hzgB:
undetectable		 3jw5B-5hzgB:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i7k BPI FOLD-CONTAINING
FAMILY A MEMBER 1

(Homo sapiens) 		PF01273
(LBP_BPI_CETP) 		5 ALA A 161
LEU A  55
LEU A 120
ILE A 242
THR A 160
 None
 1.14A 3jw5B-5i7kA:
undetectable		 3jw5B-5i7kA:
20.00
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.
5jzx UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 ALA A 325
LEU A 342
VAL A 346
LEU A 369
PHE A 259
 None
 1.16A 3jw5B-5jzxA:
undetectable		 3jw5B-5jzxA:
17.56
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.
5kbf CAMP-DEPENDENT
PROTEIN KINASE
REGULATORY SUBUNIT,
PUTATIVE

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		5 LEU A 226
LEU A 189
VAL A 296
ILE A 201
LEU A 193
 None
 1.12A 3jw5B-5kbfA:
undetectable		 3jw5B-5kbfA:
20.07
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.
5lb8 ATP-DEPENDENT DNA
HELICASE Q5

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind) 		5 LEU A 179
LEU A 151
ILE A 128
LEU A 126
PHE A 138
 None
 1.04A 3jw5B-5lb8A:
undetectable		 3jw5B-5lb8A:
14.79
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.
5loq PUTATIVE
HEME-DEPENDENT
PEROXIDASE LMO2113

(Listeria
monocytogenes) 		PF06778
(Chlor_dismutase) 		5 LEU A 245
LEU A  70
ILE A  94
PHE A  89
THR A  59
 None
 1.12A 3jw5B-5loqA:
undetectable		 3jw5B-5loqA:
17.65
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.
5mx0 FIBROMODULIN

(Homo sapiens) 		PF01462
(LRRNT)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 160
VAL A 110
ILE A 120
LEU A 100
PHE A 125
 None
 1.07A 3jw5B-5mx0A:
undetectable		 3jw5B-5mx0A:
18.10
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.
5o0l RETICULON-4 RECEPTOR

(Mus musculus) 		no annotation 5 LEU A 142
ILE A  96
LEU A 112
PHE A 126
THR A 173
 None
 1.14A 3jw5B-5o0lA:
undetectable		 3jw5B-5o0lA:
16.51
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.
5o2u CAPSID PROTEIN P24
VHH 59H10

(Human
immunodeficiency
virus 1;
Lama glama) 		PF00607
(Gag_p24)
PF07686
(V-set) 		5 ALA A 209
GLU A 213
VAL B  58
PHE B  47
THR A 210
 None
 1.19A 3jw5B-5o2uA:
undetectable		 3jw5B-5o2uA:
12.80
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.
5thz CURJ

(Moorea
producens) 		no annotation 5 ALA B  69
LEU B  87
VAL B  75
ILE B  47
LEU B 142
 None
 1.20A 3jw5B-5thzB:
undetectable		 3jw5B-5thzB:
18.73
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.
5vmt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Neisseria
gonorrhoeae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  24
GLU A 328
LEU A 327
VAL A 324
ILE A   7
 None
 0.97A 3jw5B-5vmtA:
undetectable		 3jw5B-5vmtA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wno RECEPTOR
TYROSINE-PROTEIN
KINASE LET-23

(Caenorhabditis
elegans) 		no annotation 5 GLU A1079
VAL A1075
ILE A1096
LEU A1100
THR A1013
 None
 1.09A 3jw5B-5wnoA:
undetectable		 3jw5B-5wnoA:
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.
5y2v RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp. PCC 6803) 		no annotation 5 ALA A 204
VAL A 240
ILE A 184
PHE A 209
THR A 201
 None
None
None
None
PO4  A 401 (-4.0A)
 1.11A 3jw5B-5y2vA:
undetectable		 3jw5B-5y2vA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cqb CHALCONE SYNTHASE

(Piper
methysticum) 		no annotation 5 ALA A 167
LEU A 344
VAL A 343
ILE A 240
LEU A 385
 None
 1.16A 3jw5B-6cqbA:
undetectable		 3jw5B-6cqbA:
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.
6e4e -

(-) 		no annotation 8 ALA A   7
LEU A  20
LEU A  28
VAL A  31
ILE A  50
LEU A  54
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.54A 3jw5B-6e4eA:
26.0		 3jw5B-6e4eA:
undetectable