SIMILAR PATTERNS OF AMINO ACIDS FOR 3W68_D_VIVD301_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a3x PYRUVATE KINASE

(Saccharomyces
cerevisiae) 		PF00224
(PK)
PF02887
(PK_C) 		5 ILE A 215
ILE A 224
VAL A 227
LEU A 228
VAL A 203
 None
 0.81A 3w68D-1a3xA:
2.3		 3w68D-1a3xA:
21.80
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.
1abr ABRIN-A

(Abrus
precatorius) 		PF00161
(RIP) 		5 VAL A  75
ILE A 179
LEU A  56
PHE A 141
VAL A  66
 None
 0.95A 3w68D-1abrA:
undetectable		 3w68D-1abrA:
21.55
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.
1cj2 PROTEIN
(P-HYDROXYBENZOATE
HYDROXYLASE)

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 TYR A 390
LEU A  48
VAL A 105
LEU A 109
VAL A  61
 None
 0.90A 3w68D-1cj2A:
0.4		 3w68D-1cj2A:
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.
1gka CRUSTACYANIN A2
SUBUNIT

(Homarus
gammarus) 		PF00061
(Lipocalin) 		5 VAL B  62
PHE B 133
ILE B  93
VAL B  43
VAL B 164
 None
None
AXT  B1175 (-4.7A)
None
None
 1.04A 3w68D-1gkaB:
undetectable		 3w68D-1gkaB:
21.01
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.
1gzv GLUCOSE-6-PHOSPHATE
ISOMERASE

(Sus scrofa) 		PF00342
(PGI) 		5 VAL A 124
PHE A 292
ILE A 490
VAL A 269
VAL A 121
 None
 0.94A 3w68D-1gzvA:
undetectable		 3w68D-1gzvA:
20.28
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.
1i8t UDP-GALACTOPYRANOSE
MUTASE

(Escherichia
coli) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 VAL A 352
VAL A  27
ILE A 198
LEU A 202
VAL A 205
 FAD  A 450 ( 4.7A)
None
None
None
None
 1.02A 3w68D-1i8tA:
undetectable		 3w68D-1i8tA:
20.26
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.
1ii0 ARSENICAL
PUMP-DRIVING ATPASE

(Escherichia
coli) 		PF02374
(ArsA_ATPase) 		5 ILE A   7
ILE A 140
VAL A  42
LEU A  41
VAL A  50
 None
 1.03A 3w68D-1ii0A:
undetectable		 3w68D-1ii0A:
18.96
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.
1ii0 ARSENICAL
PUMP-DRIVING ATPASE

(Escherichia
coli) 		PF02374
(ArsA_ATPase) 		5 VAL A 202
ILE A   7
ILE A 140
LEU A  41
VAL A  50
 None
 0.77A 3w68D-1ii0A:
undetectable		 3w68D-1ii0A:
18.96
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.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 ILE A 142
ILE A  70
VAL A  74
LEU A  71
VAL A 111
 SAH  A 400 (-4.1A)
None
None
None
None
 0.99A 3w68D-1jqeA:
undetectable		 3w68D-1jqeA:
21.50
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.
1ktw IOTA-CARRAGEENASE

(Alteromonas sp.
ATCC 43554) 		PF12708
(Pectate_lyase_3) 		5 VAL A 135
ILE A 209
ILE A 187
LEU A 164
VAL A 167
 None
 1.05A 3w68D-1ktwA:
undetectable		 3w68D-1ktwA:
19.86
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		6 TYR A 133
VAL A  91
ILE A  73
ILE A 120
LEU A  29
VAL A  18
 None
 1.26A 3w68D-1mppA:
undetectable		 3w68D-1mppA:
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 TYR A 133
VAL A  91
LEU A  29
PHE A  31
VAL A  18
 None
 0.90A 3w68D-1mppA:
undetectable		 3w68D-1mppA:
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.
1q50 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Leishmania
mexicana) 		PF00342
(PGI) 		5 VAL A 172
PHE A 345
ILE A 541
VAL A 322
VAL A 169
 None
 1.04A 3w68D-1q50A:
undetectable		 3w68D-1q50A:
18.00
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.
1q5n 3-CARBOXY-CIS,CIS-MU
CONATE
CYCLOISOMERASE

(Acinetobacter
calcoaceticus) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 VAL A 130
ILE A 116
ILE A 237
VAL A 240
LEU A 241
 None
 0.88A 3w68D-1q5nA:
undetectable		 3w68D-1q5nA:
20.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r5l PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)

(Homo sapiens) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		11 TYR A 100
TRP A 122
VAL A 132
LEU A 137
PHE A 158
ILE A 171
ILE A 179
VAL A 182
LEU A 183
PHE A 187
VAL A 191
 None
None
VIV  A 301 ( 4.7A)
VIV  A 301 ( 4.8A)
VIV  A 301 (-3.9A)
None
VIV  A 301 ( 4.0A)
VIV  A 301 (-4.5A)
None
VIV  A 301 (-3.9A)
VIV  A 301 (-4.7A)
 0.50A 3w68D-1r5lA:
36.8		 3w68D-1r5lA:
89.10
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 VAL A 240
ILE A 162
ILE A 183
LEU A 221
VAL A 229
 None
 0.97A 3w68D-1rk2A:
undetectable		 3w68D-1rk2A:
20.18
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.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		6 VAL A 113
LEU A 100
VAL A 146
ILE A  40
LEU A 129
VAL A 127
 None
 1.46A 3w68D-1t1eA:
undetectable		 3w68D-1t1eA:
19.75
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.
1vl4 PMBA-RELATED PROTEIN

(Thermotoga
maritima) 		PF01523
(PmbA_TldD) 		6 VAL A 263
PHE A 400
ILE A 243
ILE A 270
LEU A 336
VAL A 425
 None
 1.42A 3w68D-1vl4A:
undetectable		 3w68D-1vl4A:
20.36
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.
1vqu ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE 2

(Nostoc sp. PCC
7120) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 VAL A 301
VAL A 357
ILE A 114
LEU A 147
VAL A 152
 None
 1.04A 3w68D-1vquA:
undetectable		 3w68D-1vquA:
21.64
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.
1wch PROTEIN TYROSINE
PHOSPHATASE,
NON-RECEPTOR TYPE 13

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 VAL A2423
ILE A2436
ILE A2464
VAL A2467
LEU A2468
 None
 1.01A 3w68D-1wchA:
undetectable		 3w68D-1wchA:
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.
1xr4 PUTATIVE CITRATE
LYASE ALPHA
CHAIN/CITRATE-ACP
TRANSFERASE

(Salmonella
enterica) 		PF04223
(CitF) 		5 VAL A 431
LEU A 402
VAL A 281
ILE A 463
VAL A 257
 None
 0.90A 3w68D-1xr4A:
2.3		 3w68D-1xr4A:
19.33
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.
1y56 SARCOSINE OXIDASE

(Pyrococcus
horikoshii) 		PF01266
(DAO) 		5 LEU B 351
PHE B 333
ILE B 218
VAL B 361
VAL B  63
 None
FAD  B 800 ( 4.9A)
None
None
None
 0.96A 3w68D-1y56B:
undetectable		 3w68D-1y56B:
23.71
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.
2ayv UBIQUITIN-CONJUGATIN
G ENZYME E2

(Toxoplasma
gondii) 		PF00179
(UQ_con) 		5 LEU A  89
ILE A   6
ILE A  99
VAL A 102
LEU A 103
 None
None
UNX  A 153 (-4.9A)
None
None
 1.03A 3w68D-2ayvA:
undetectable		 3w68D-2ayvA:
20.85
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.
2bw3 TRANSPOSASE
TRANSPOSASE

(Musca
domestica;
Musca domestica) 		PF05699
(Dimer_Tnp_hAT)
PF10683
(DBD_Tnp_Hermes)
PF10683
(DBD_Tnp_Hermes) 		6 VAL B 127
ILE A 121
ILE B 121
VAL A 137
LEU A 140
VAL B  86
 None
 1.48A 3w68D-2bw3B:
undetectable		 3w68D-2bw3B:
13.21
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.
2ctz O-ACETYL-L-HOMOSERIN
E SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 VAL A 214
ILE A 257
VAL A  60
LEU A  63
VAL A 280
 None
 0.92A 3w68D-2ctzA:
undetectable		 3w68D-2ctzA:
20.77
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.
2cxn GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mus musculus) 		PF00342
(PGI) 		5 VAL A 125
PHE A 293
ILE A 491
VAL A 270
VAL A 122
 None
 0.96A 3w68D-2cxnA:
undetectable		 3w68D-2cxnA:
19.86
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.
2g4r MOLYBDOPTERIN
BIOSYNTHESIS MOG
PROTEIN

(Mycobacterium
tuberculosis) 		PF00994
(MoCF_biosynth) 		5 LEU A  32
ILE A  99
ILE A 126
VAL A  65
LEU A 124
 None
 1.04A 3w68D-2g4rA:
undetectable		 3w68D-2g4rA:
19.19
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.
2g7g RHA04620, PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF02909
(TetR_C) 		5 LEU A 193
PHE A  71
ILE A 132
ILE A 136
PHE A 142
 None
 0.90A 3w68D-2g7gA:
undetectable		 3w68D-2g7gA:
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.
2g85 CHORISMATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF01264
(Chorismate_synt) 		5 LEU A 360
VAL A  26
ILE A  77
ILE A  75
VAL A  19
 None
 0.96A 3w68D-2g85A:
undetectable		 3w68D-2g85A:
20.81
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.
2ga8 HYPOTHETICAL 39.9
KDA PROTEIN

(Saccharomyces
cerevisiae) 		PF07728
(AAA_5) 		5 VAL A  25
LEU A 202
ILE A  48
ILE A 264
VAL A 159
 None
None
CME  A  45 ( 4.1A)
None
None
 0.96A 3w68D-2ga8A:
undetectable		 3w68D-2ga8A:
20.43
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.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		6 LEU A 306
VAL A 231
ILE A 129
ILE A 219
LEU A 223
VAL A 226
 None
 1.33A 3w68D-2hruA:
undetectable		 3w68D-2hruA:
17.52
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.
2o3j UDP-GLUCOSE
6-DEHYDROGENASE

(Caenorhabditis
elegans) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ILE A 400
VAL A 417
LEU A 419
PHE A 444
VAL A 277
 None
 0.81A 3w68D-2o3jA:
undetectable		 3w68D-2o3jA:
18.63
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.
2peg HEMOGLOBIN SUBUNIT
BETA

(Trematomus
bernacchii) 		PF00042
(Globin) 		6 VAL B 113
VAL B 138
PHE B 130
VAL B  67
LEU B  71
VAL B 137
 None
None
None
HEM  B 400 (-3.7A)
None
None
 1.40A 3w68D-2pegB:
undetectable		 3w68D-2pegB:
17.67
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.
2qor GUANYLATE KINASE

(Plasmodium
vivax) 		PF00625
(Guanylate_kin) 		5 LEU A 186
ILE A  21
VAL A  24
LEU A  25
PHE A  28
 None
 1.04A 3w68D-2qorA:
undetectable		 3w68D-2qorA:
19.50
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.
2rgw ASPARTATE
CARBAMOYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 VAL A 184
LEU A 191
ILE A 219
VAL A 170
LEU A 169
 None
 0.89A 3w68D-2rgwA:
undetectable		 3w68D-2rgwA:
21.23
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.
2wia FERROUS IRON
TRANSPORT PROTEIN B

(Klebsiella
pneumoniae) 		PF02421
(FeoB_N) 		5 VAL A 175
LEU A 172
ILE A 255
LEU A 137
VAL A 145
 None
 1.04A 3w68D-2wiaA:
undetectable		 3w68D-2wiaA:
20.14
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.
2wnb -

(Sus scrofa) 		PF00777
(Glyco_transf_29) 		5 LEU A 201
ILE A 208
VAL A 193
PHE A 198
VAL A 220
 None
 0.98A 3w68D-2wnbA:
undetectable		 3w68D-2wnbA:
24.02
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.
3bf0 PROTEASE 4

(Escherichia
coli) 		PF01343
(Peptidase_S49) 		5 TYR A 314
ILE A  67
ILE A 134
LEU A 138
VAL A 148
 None
 0.96A 3w68D-3bf0A:
2.9		 3w68D-3bf0A:
17.49
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.
3boh CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 VAL A  54
LEU A 174
ILE A 166
VAL A 220
LEU A 168
 None
 1.05A 3w68D-3bohA:
undetectable		 3w68D-3bohA:
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.
3eey PUTATIVE RRNA
METHYLASE

(Ruminiclostridium
thermocellum) 		PF06962
(rRNA_methylase) 		5 LEU A 120
ILE A 137
VAL A 151
LEU A 152
PHE A 154
 None
 1.04A 3w68D-3eeyA:
undetectable		 3w68D-3eeyA:
22.14
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 LEU A 827
ILE A 783
VAL A 781
LEU A 760
VAL A 700
 None
 1.06A 3w68D-3h09A:
undetectable		 3w68D-3h09A:
14.11
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.
3hcu UBIQUITIN-CONJUGATIN
G ENZYME E2 N

(Homo sapiens) 		PF00179
(UQ_con) 		5 LEU B  91
ILE B   8
ILE B 101
VAL B 104
LEU B 105
 None
 1.00A 3w68D-3hcuB:
undetectable		 3w68D-3hcuB:
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.
3hjb GLUCOSE-6-PHOSPHATE
ISOMERASE

(Vibrio cholerae) 		PF00342
(PGI) 		5 VAL A 124
PHE A 291
ILE A 487
VAL A 268
VAL A 121
 CL  A 557 ( 4.3A)
None
None
None
None
 0.97A 3w68D-3hjbA:
undetectable		 3w68D-3hjbA:
19.23
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.
3hzh CHEMOTAXIS OPERON
PROTEIN (CHEX)

(Borreliella
burgdorferi) 		PF13690
(CheX) 		5 LEU B 145
ILE B 101
VAL B  69
LEU B  73
PHE B  68
 None
 1.04A 3w68D-3hzhB:
undetectable		 3w68D-3hzhB:
22.64
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.
3i2t EPIDERMAL GROWTH
FACTOR RECEPTOR,
ISOFORM A

(Drosophila
melanogaster) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		6 VAL A  33
PHE A  74
ILE A  80
LEU A  97
PHE A  86
VAL A  99
 None
 1.45A 3w68D-3i2tA:
undetectable		 3w68D-3i2tA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		5 VAL W1149
LEU W1196
VAL W1176
LEU W1192
VAL W1165
 None
 0.99A 3w68D-3iylW:
undetectable		 3w68D-3iylW:
11.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jxz ALKYLPURINE DNA
GLYCOSYLASE ALKD

(Bacillus cereus) 		PF08713
(DNA_alkylation) 		5 VAL A 199
ILE A 185
VAL A 188
LEU A 189
VAL A 200
 None
 0.93A 3w68D-3jxzA:
undetectable		 3w68D-3jxzA:
23.59
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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		5 LEU A  12
VAL A 102
ILE A 137
VAL A 146
VAL A 133
 None
 1.06A 3w68D-3k55A:
1.8		 3w68D-3k55A:
21.47
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.
3msg INTRA-CELLULAR
XYLANASE IXT6

(Geobacillus
stearothermophilus) 		PF00331
(Glyco_hydro_10) 		5 VAL A 244
VAL A  38
PHE A 275
ILE A 223
ILE A 239
 None
 0.90A 3w68D-3msgA:
2.0		 3w68D-3msgA:
21.33
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.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		5 VAL A 123
PHE A 290
ILE A 486
VAL A 267
VAL A 120
 None
 0.99A 3w68D-3nbuA:
undetectable		 3w68D-3nbuA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r5b TETRAHYDRODIPICOLINA
TE
N-SUCCINYLETRANSFERA
SE

(Pseudomonas
aeruginosa) 		PF14602
(Hexapep_2)
PF14789
(THDPS_M)
PF14790
(THDPS_N) 		5 LEU A 272
VAL A 290
VAL A 278
LEU A 282
VAL A 325
 None
 1.06A 3w68D-3r5bA:
undetectable		 3w68D-3r5bA:
21.70
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 VAL A 148
ILE A 215
VAL A 218
LEU A 219
VAL A 225
 None
 0.98A 3w68D-3rh9A:
undetectable		 3w68D-3rh9A:
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.
3u2p RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 LEU A 111
ILE A  40
VAL A  62
LEU A  38
VAL A  34
 None
 0.98A 3w68D-3u2pA:
undetectable		 3w68D-3u2pA:
20.12
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.
3u7u RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 LEU A 111
ILE A  40
VAL A  62
LEU A  38
VAL A  34
 None
 1.01A 3w68D-3u7uA:
undetectable		 3w68D-3u7uA:
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.
3uk8 CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 VAL A 474
LEU A 594
ILE A 586
VAL A 640
LEU A 588
 None
 1.02A 3w68D-3uk8A:
undetectable		 3w68D-3uk8A:
20.49
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		5 VAL B  37
ILE B  27
ILE B 483
LEU B 465
VAL B  42
 None
 0.91A 3w68D-3ze7B:
undetectable		 3w68D-3ze7B:
20.64
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.
3zpp CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		5 VAL A 404
VAL A 486
ILE A 473
LEU A 510
VAL A 513
 None
 1.03A 3w68D-3zppA:
undetectable		 3w68D-3zppA:
21.52
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.
3zpp CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		5 VAL A 486
ILE A 496
ILE A 508
LEU A 510
VAL A 513
 None
 0.93A 3w68D-3zppA:
undetectable		 3w68D-3zppA:
21.52
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.
4a3x EPA1P

([Candida]
glabrata) 		PF10528
(GLEYA) 		5 LEU A 207
PHE A 248
ILE A 219
VAL A 169
LEU A 221
 None
 0.86A 3w68D-4a3xA:
undetectable		 3w68D-4a3xA:
22.63
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.
4asl EPA1P

([Candida]
glabrata) 		PF10528
(GLEYA) 		5 LEU A 207
PHE A 248
ILE A 219
VAL A 169
LEU A 221
 None
 0.89A 3w68D-4aslA:
undetectable		 3w68D-4aslA:
22.76
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.
4atb INTERLEUKIN
ENHANCER-BINDING
FACTOR 2

(Mus musculus) 		PF07528
(DZF) 		5 LEU A 193
ILE A 175
VAL A 135
LEU A 138
VAL A  97
 None
 1.01A 3w68D-4atbA:
2.4		 3w68D-4atbA:
19.95
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.
4ct4 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF16415
(CNOT1_CAF1_bind) 		5 LEU A1217
ILE A1205
ILE A1257
VAL A1260
LEU A1261
 None
 0.94A 3w68D-4ct4A:
undetectable		 3w68D-4ct4A:
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.
4d8o ANKYRIN-2

(Homo sapiens) 		PF00531
(Death)
PF00791
(ZU5) 		5 LEU A1026
ILE A1109
ILE A1031
LEU A1008
VAL A1321
 None
 0.91A 3w68D-4d8oA:
2.6		 3w68D-4d8oA:
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.
4em6 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Brucella
melitensis) 		no annotation 5 VAL D 122
PHE D 288
ILE D 485
VAL D 265
VAL D 119
 None
 1.05A 3w68D-4em6D:
undetectable		 3w68D-4em6D:
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.
4fs7 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF13306
(LRR_5) 		5 PHE A 156
ILE A 119
ILE A 121
LEU A 148
VAL A 170
 None
 1.06A 3w68D-4fs7A:
undetectable		 3w68D-4fs7A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B) 		5 VAL A 455
ILE A 387
ILE A 316
VAL A 319
LEU A 320
 None
 1.03A 3w68D-4fwtA:
3.7		 3w68D-4fwtA:
11.60
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.
4hpv S-ADENOSYLMETHIONINE
SYNTHASE

(Sulfolobus
solfataricus) 		PF01941
(AdoMet_Synthase) 		5 PHE A 123
ILE A  80
ILE A  84
VAL A  66
VAL A  37
 None
 0.97A 3w68D-4hpvA:
undetectable		 3w68D-4hpvA:
21.88
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.
4i6f SERINE/THREONINE-PRO
TEIN KINASE PLK2

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 142
ILE A 155
ILE A 157
LEU A 159
VAL A 143
 None
None
None
1C7  A 401 (-4.0A)
1C7  A 401 (-4.5A)
 1.05A 3w68D-4i6fA:
undetectable		 3w68D-4i6fA:
22.96
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.
4inz SOLUBLE EPOXIDE
HYDROLASE

(Bacillus
megaterium) 		PF00561
(Abhydrolase_1) 		5 LEU A 117
ILE A  72
ILE A 102
VAL A  95
LEU A  27
 None
 0.97A 3w68D-4inzA:
2.3		 3w68D-4inzA:
23.22
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.
4k17 LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A

(Mus musculus) 		PF13516
(LRR_6) 		5 LEU A 349
ILE A 367
VAL A 322
LEU A 325
VAL A 293
 None
 1.05A 3w68D-4k17A:
undetectable		 3w68D-4k17A:
16.49
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.
4leo RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 LEU C 117
ILE C  46
VAL C  68
LEU C  44
VAL C  40
 None
 0.98A 3w68D-4leoC:
undetectable		 3w68D-4leoC:
17.85
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.
4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		5 VAL A 415
VAL A 497
ILE A 484
LEU A 521
VAL A 524
 None
 1.06A 3w68D-4mr0A:
undetectable		 3w68D-4mr0A:
16.80
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.
4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		5 VAL A 497
ILE A 507
ILE A 519
LEU A 521
VAL A 524
 None
 0.88A 3w68D-4mr0A:
undetectable		 3w68D-4mr0A:
16.80
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.
4p3m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Psychromonas
ingrahamii) 		PF00464
(SHMT) 		5 VAL A 410
ILE A 309
ILE A 364
VAL A 344
LEU A  32
 None
 0.84A 3w68D-4p3mA:
undetectable		 3w68D-4p3mA:
20.86
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.
4pmn TAT-SECRETED PROTEIN
RV2525C

(Mycobacterium
tuberculosis) 		PF08924
(DUF1906) 		5 VAL A  97
LEU A  89
VAL A 224
ILE A 231
VAL A 221
 None
 1.02A 3w68D-4pmnA:
undetectable		 3w68D-4pmnA:
20.28
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.
4pmr TAT-SECRETED PROTEIN
RV2525C

(Mycobacterium
tuberculosis) 		PF08924
(DUF1906) 		5 VAL A  97
LEU A  89
VAL A 224
ILE A 231
VAL A 221
 None
 0.98A 3w68D-4pmrA:
undetectable		 3w68D-4pmrA:
20.74
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.
4qfk ABC TRANSPORTER
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Pseudoalteromonas
sp. SM9913) 		no annotation 5 PHE H 297
ILE H 503
ILE H 317
LEU H 400
VAL H 405
 None
 1.06A 3w68D-4qfkH:
undetectable		 3w68D-4qfkH:
20.08
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		5 TRP A 262
VAL A 245
ILE A 283
VAL A 206
LEU A 285
 None
 0.92A 3w68D-4rcdA:
undetectable		 3w68D-4rcdA:
22.28
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.
4wmj GLUCOSE-6-PHOSPHATE
ISOMERASE

(Colias
eurytheme) 		PF00342
(PGI) 		5 VAL A 129
PHE A 296
ILE A 494
VAL A 273
VAL A 126
 None
 1.01A 3w68D-4wmjA:
undetectable		 3w68D-4wmjA:
20.80
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.
4x57 UBIQUITIN-CONJUGATIN
G ENZYME E2 8

(Arabidopsis
thaliana) 		PF00179
(UQ_con) 		5 LEU A  89
ILE A   6
ILE A  99
VAL A 102
LEU A 103
 None
 0.97A 3w68D-4x57A:
undetectable		 3w68D-4x57A:
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 VAL A 620
ILE A 596
ILE A 603
VAL A 606
LEU A 607
 None
 0.88A 3w68D-4xriA:
undetectable		 3w68D-4xriA:
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.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135

(Acanthamoeba
polyphaga
mimivirus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A  36
ILE A 632
ILE A  33
LEU A 255
VAL A 242
 None
 1.01A 3w68D-4z26A:
undetectable		 3w68D-4z26A:
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.
4z8s RRNA N-GLYCOSIDASE

(Momordica
charantia) 		PF00161
(RIP) 		5 LEU A  54
ILE A 114
ILE A 155
VAL A 158
LEU A 159
 None
 0.99A 3w68D-4z8sA:
undetectable		 3w68D-4z8sA:
21.95
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.
4zxo GLYCOSYL HYDROLASE
FAMILY 26

(Bacteroides
ovatus) 		PF02156
(Glyco_hydro_26) 		6 TRP A 195
VAL A 126
VAL A 181
ILE A 161
LEU A 217
VAL A 225
 None
 1.01A 3w68D-4zxoA:
undetectable		 3w68D-4zxoA:
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.
4zxo GLYCOSYL HYDROLASE
FAMILY 26

(Bacteroides
ovatus) 		PF02156
(Glyco_hydro_26) 		5 TRP A 195
VAL A 126
VAL A 181
ILE A 161
PHE A 167
 None
 1.04A 3w68D-4zxoA:
undetectable		 3w68D-4zxoA:
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.
5a4p UBIQUITIN-CONJUGATIN
G ENZYME E2 Z

(Homo sapiens) 		PF00179
(UQ_con) 		5 LEU A 192
ILE A 104
ILE A 206
VAL A 209
LEU A 210
 None
 0.88A 3w68D-5a4pA:
undetectable		 3w68D-5a4pA:
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.
5an9 60S RIBOSOMAL
PROTEIN L9

(Dictyostelium
discoideum) 		PF00347
(Ribosomal_L6) 		5 VAL B  27
PHE B  38
VAL B  10
LEU B  53
VAL B  18
 None
 0.93A 3w68D-5an9B:
undetectable		 3w68D-5an9B:
22.71
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.
5h9d FARNESYL
PYROPHOSPHATE
SYNTHETASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		5 VAL A 191
ILE A  74
ILE A 133
VAL A 129
LEU A 132
 None
 0.98A 3w68D-5h9dA:
3.0		 3w68D-5h9dA:
23.23
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.
5hjn LD10117P

(Drosophila
melanogaster) 		PF00566
(RabGAP-TBC) 		5 TYR A 112
VAL A 116
ILE A 130
LEU A 132
VAL A 136
 None
 0.78A 3w68D-5hjnA:
2.5		 3w68D-5hjnA:
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.
5i6g ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 TRP A1994
VAL A1935
ILE A1990
LEU A1901
VAL A1872
 None
 1.03A 3w68D-5i6gA:
2.6		 3w68D-5i6gA:
13.56
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 TRP A1994
VAL A1935
ILE A1990
LEU A1901
VAL A1872
 None
 1.02A 3w68D-5i6hA:
3.5		 3w68D-5i6hA:
11.23
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.
5iz5 CYTOSOLIC
PHOSPHOLIPASE A2
DELTA

(Homo sapiens) 		no annotation 5 LEU B 797
VAL B 323
PHE B 730
LEU B 345
VAL B 354
 None
 1.07A 3w68D-5iz5B:
undetectable		 3w68D-5iz5B:
15.36
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.
5j62 PUTATIVE REDUCTASE

(Clostridioides
difficile) 		PF00881
(Nitroreductase) 		5 VAL A  56
LEU A 179
ILE A 118
ILE A  98
VAL A 187
 None
 0.89A 3w68D-5j62A:
undetectable		 3w68D-5j62A:
21.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mue ALPHA-TOCOPHEROL
TRANSFER PROTEIN

(Homo sapiens) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		11 TYR A 100
TRP A 122
VAL A 132
LEU A 137
PHE A 158
ILE A 171
ILE A 179
VAL A 182
LEU A 183
PHE A 187
VAL A 191
 None
None
VIV  A 302 (-4.4A)
VIV  A 302 ( 4.8A)
VIV  A 302 (-3.9A)
VIV  A 302 ( 4.8A)
VIV  A 302 (-4.0A)
VIV  A 302 (-4.4A)
None
VIV  A 302 (-4.0A)
VIV  A 302 ( 4.9A)
 0.45A 3w68D-5mueA:
33.2		 3w68D-5mueA:
92.98
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 TYR B 277
ILE B 246
VAL B 344
LEU B 348
VAL B 383
 None
 1.00A 3w68D-5my0B:
undetectable		 3w68D-5my0B:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 6 LEU A 830
ILE A 657
ILE A 620
VAL A 632
LEU A 783
PHE A 600
 None
 1.42A 3w68D-5ng6A:
undetectable		 3w68D-5ng6A:
10.79
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.
5wbl REGULATORY-ASSOCIATE
D PROTEIN OF TOR 1

(Arabidopsis
thaliana) 		no annotation 6 VAL A1053
PHE A1026
ILE A1075
VAL A1091
LEU A1078
VAL A1043
 None
 1.32A 3w68D-5wblA:
2.7		 3w68D-5wblA:
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.
5xeq MAM
DOMAIN-CONTAINING
GLYCOSYLPHOSPHATIDYL
INOSITOL ANCHOR
PROTEIN 1

(Homo sapiens) 		PF13927
(Ig_3) 		5 VAL B 326
LEU B 250
ILE B 295
VAL B 260
LEU B 293
 None
 1.02A 3w68D-5xeqB:
undetectable		 3w68D-5xeqB:
20.06
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.
5xne -

(-) 		no annotation 5 VAL B 139
ILE B 130
VAL B 174
LEU B 192
VAL B 205
 None
 1.06A 3w68D-5xneB:
undetectable		 3w68D-5xneB:
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.
5xne -

(-) 		no annotation 5 VAL B 139
PHE B 113
ILE B 130
LEU B 192
VAL B 205
 None
 1.05A 3w68D-5xneB:
undetectable		 3w68D-5xneB:
undetectable