SIMILAR PATTERNS OF AMINO ACIDS FOR 5BW4_B_SAMB301

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 GLY A  36
GLY A  33
ALA A 491
LEU A  41
ALA A 109
 None
 1.09A 5bw4B-1aorA:
undetectable		 5bw4B-1aorA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cjx 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
fluorescens) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		5 GLY A 155
ALA A 254
ILE A 310
LEU A 244
LEU A 248
 None
 1.06A 5bw4B-1cjxA:
undetectable		 5bw4B-1cjxA:
24.45
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.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B

(Methanothermobacter
thermautotrophicus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 GLY A 204
GLY A 202
ALA A 199
ALA A 128
ILE A 195
 None
 1.04A 5bw4B-1g7rA:
undetectable		 5bw4B-1g7rA:
20.13
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.
1i21 GLUCOSAMINE-PHOSPHAT
E
N-ACETYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF00583
(Acetyltransf_1) 		5 GLY A 112
GLY A 110
ALA A 101
ILE A 100
LEU A 115
 None
 1.18A 5bw4B-1i21A:
undetectable		 5bw4B-1i21A:
17.95
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.
1j8m SIGNAL RECOGNITION
54 KDA PROTEIN

(Acidianus
ambivalens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLY F 133
ALA F 169
ILE F 101
LEU F 103
ALA F 141
 None
 0.91A 5bw4B-1j8mF:
2.1		 5bw4B-1j8mF:
24.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l1j HEAT SHOCK PROTEASE
HTRA

(Thermotoga
maritima) 		PF13365
(Trypsin_2) 		5 GLY A  81
GLY A 207
PRO A 203
ALA A 223
ALA A 129
 None
 1.15A 5bw4B-1l1jA:
undetectable		 5bw4B-1l1jA:
20.68
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.
1l1j HEAT SHOCK PROTEASE
HTRA

(Thermotoga
maritima) 		PF13365
(Trypsin_2) 		5 GLY A  81
GLY A 207
PRO A 203
ALA A 223
LEU A  80
 None
 1.25A 5bw4B-1l1jA:
undetectable		 5bw4B-1l1jA:
20.68
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.
1m3u 3-METHYL-2-OXOBUTANO
ATE
HYDROXYMETHYLTRANSFE
RASE

(Escherichia
coli) 		PF02548
(Pantoate_transf) 		5 GLY A 160
GLY A 156
ALA A 188
ILE A 191
LEU A 163
 None
 1.24A 5bw4B-1m3uA:
undetectable		 5bw4B-1m3uA:
24.18
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.
1n31 L-CYSTEINE/CYSTINE
LYASE C-DES

(Synechocystis
sp. PCC 6714) 		PF00266
(Aminotran_5) 		5 ALA A  70
ALA A  65
ILE A  64
LEU A  63
ALA A  35
 None
 1.00A 5bw4B-1n31A:
undetectable		 5bw4B-1n31A:
23.02
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.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 GLY A 187
GLY A 139
ILE A 226
LEU A 222
ALA A 243
 None
 0.89A 5bw4B-1o2dA:
undetectable		 5bw4B-1o2dA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor;
Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 406
GLY A 404
ALA A 272
ILE B 146
ALA A 107
 None
ACE  A 633 (-3.1A)
None
None
None
 0.93A 5bw4B-1tqyA:
undetectable		 5bw4B-1tqyA:
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.
1vb3 THREONINE SYNTHASE

(Escherichia
coli) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 GLY A 375
ALA A 272
ILE A 270
LEU A 361
ALA A  87
 None
 1.24A 5bw4B-1vb3A:
undetectable		 5bw4B-1vb3A:
23.52
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.
1wih MITOCHONDRIAL
RIBOSOME RECYCLING
FACTOR

(Mus musculus) 		PF01765
(RRF) 		5 GLY A  26
ALA A  53
ILE A  54
LEU A  69
ALA A  41
 None
 1.06A 5bw4B-1wihA:
undetectable		 5bw4B-1wihA:
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.
2a79 POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY A
MEMBER 2

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF02214
(BTB_2) 		5 GLY B 391
ALA B 368
ILE B 396
LEU B 393
ALA B 349
 None
 0.99A 5bw4B-2a79B:
undetectable		 5bw4B-2a79B:
18.74
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.
2af4 PHOSPHATE
ACETYLTRANSFERASE

(Methanosarcina
thermophila) 		PF01515
(PTA_PTB) 		5 GLY C 241
ALA C 230
ALA C 225
ILE C 224
ALA C 267
 None
 0.93A 5bw4B-2af4C:
3.0		 5bw4B-2af4C:
23.86
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.
2b0t NADP ISOCITRATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF03971
(IDH) 		5 GLY A 139
PRO A 461
ALA A 460
LEU A 573
ALA A  71
 None
 1.21A 5bw4B-2b0tA:
undetectable		 5bw4B-2b0tA:
18.32
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.
2d4y FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 1

(Salmonella
enterica) 		no annotation 5 ALA A 303
ALA A 419
ILE A 420
LEU A 297
ALA A 478
 None
 1.10A 5bw4B-2d4yA:
undetectable		 5bw4B-2d4yA:
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.
2fsv NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Rhodospirillum
rubrum) 		PF02233
(PNTB) 		5 GLY C  54
GLY C 129
ALA C  83
ILE C  84
ALA C  60
 NAP  C 700 ( 3.7A)
NAP  C 700 (-3.8A)
None
None
NAP  C 700 (-3.6A)
 1.21A 5bw4B-2fsvC:
3.2		 5bw4B-2fsvC:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 190
GLY A 348
ALA A 236
ALA A  83
ILE A 188
 None
 1.27A 5bw4B-2gqdA:
undetectable		 5bw4B-2gqdA:
24.03
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.
2ijr HYPOTHETICAL PROTEIN
API92

(Yersinia
pseudotuberculosis) 		PF06924
(DUF1281) 		5 GLY A  47
GLY A  50
PRO A  54
LEU A  45
LEU A  66
 None
 1.12A 5bw4B-2ijrA:
undetectable		 5bw4B-2ijrA:
20.63
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.
2jfd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00698
(Acyl_transf_1)
PF16197
(KAsynt_C_assoc) 		5 GLY A 807
ALA A 462
ARG A 468
LEU A 492
ALA A 810
 None
 1.19A 5bw4B-2jfdA:
undetectable		 5bw4B-2jfdA:
23.65
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.
2mpv MAJOR FIMBRIAL
SUBUNIT OF
AGGREGATIVE
ADHERENCE FIMBRIA II
AAFA

(Escherichia
coli) 		no annotation 5 GLY A  58
ALA A 132
ILE A  41
LEU A  66
LEU A 130
 None
 1.05A 5bw4B-2mpvA:
undetectable		 5bw4B-2mpvA:
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.
2nlz CEPHALOSPORIN
ACYLASE

(Bacillus
halodurans) 		PF01019
(G_glu_transpept) 		5 GLY A 424
GLY A 437
ILE A 267
LEU A 426
LEU A  75
 None
 1.04A 5bw4B-2nlzA:
undetectable		 5bw4B-2nlzA:
21.56
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.
2o8s AGR_C_984P

(Agrobacterium
fabrum) 		PF06748
(DUF1217) 		5 PRO A  25
ALA A 123
ILE A 127
LEU A 117
ALA A 217
 None
 1.25A 5bw4B-2o8sA:
undetectable		 5bw4B-2o8sA:
22.25
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.
2qj8 MLR6093 PROTEIN

(Mesorhizobium
japonicum) 		PF04952
(AstE_AspA) 		5 GLY A 222
GLY A 226
ALA A 237
ILE A 218
LEU A 175
 None
 1.12A 5bw4B-2qj8A:
undetectable		 5bw4B-2qj8A:
22.82
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00148
(Oxidored_nitro) 		5 GLY C 101
GLY C 134
ILE C 110
LEU C 112
ALA C 148
 None
 0.98A 5bw4B-2ynmC:
undetectable		 5bw4B-2ynmC:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zb3 PROSTAGLANDIN
REDUCTASE 2

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 GLY A 137
GLY A 131
ALA A 166
ALA A 171
ILE A 174
 None
None
NDP  A 900 (-3.4A)
None
None
 1.11A 5bw4B-2zb3A:
4.8		 5bw4B-2zb3A:
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.
3czm L-LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  37
ALA A  46
ALA A  24
LEU A  51
ALA A  69
 None
 1.06A 5bw4B-3czmA:
4.7		 5bw4B-3czmA:
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.
3d5e PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE

(Homo sapiens) 		PF03403
(PAF-AH_p_II) 		5 GLY A 271
ALA A 277
ILE A 293
LEU A 295
ALA A 155
 None
 0.82A 5bw4B-3d5eA:
undetectable		 5bw4B-3d5eA:
20.79
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.
3e7o MITOGEN-ACTIVATED
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLY A 212
ALA A 193
ILE A 224
LEU A 297
LEU A 302
 None
 1.24A 5bw4B-3e7oA:
undetectable		 5bw4B-3e7oA:
22.70
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.
3fi1 NA(+)/H(+)
ANTIPORTER NHAA

(Escherichia
coli) 		PF06965
(Na_H_antiport_1) 		5 GLY A 166
ALA A 130
ALA A 160
ILE A 161
ALA A 172
 None
 1.09A 5bw4B-3fi1A:
undetectable		 5bw4B-3fi1A:
22.02
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.
3fpz THIAZOLE
BIOSYNTHETIC ENZYME

(Saccharomyces
cerevisiae) 		PF01946
(Thi4) 		5 GLY A  77
GLY A 313
ALA A 317
ILE A  95
LEU A  78
 None
 1.22A 5bw4B-3fpzA:
4.0		 5bw4B-3fpzA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE

(Bacteroides
vulgatus) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 ALA A 339
ILE A 340
LYS A 333
LEU A 332
ALA A 613
 None
 1.15A 5bw4B-3gm8A:
undetectable		 5bw4B-3gm8A:
15.86
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.
3h2b SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		5 GLY A 106
GLY A 108
PRO A 128
ALA A 129
ILE A 150
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.1A)
SAH  A 301 ( 3.7A)
SAH  A 301 (-4.1A)
 0.67A 5bw4B-3h2bA:
6.5		 5bw4B-3h2bA:
24.47
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.
3i6s SUBTILISIN-LIKE
PROTEASE

(Solanum
lycopersicum) 		PF00082
(Peptidase_S8) 		5 GLY A 505
GLY A 338
ALA A 336
ALA A 541
ALA A 478
 None
 1.20A 5bw4B-3i6sA:
undetectable		 5bw4B-3i6sA:
17.83
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.
3ilw DNA GYRASE SUBUNIT A

(Mycobacterium
tuberculosis) 		PF00521
(DNA_topoisoIV) 		5 GLY A 179
ALA A 175
LEU A 346
LEU A 173
ALA A  40
 None
 0.92A 5bw4B-3ilwA:
undetectable		 5bw4B-3ilwA:
23.03
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.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 403
ALA A 351
ALA A 340
LEU A 411
ALA A 452
 None
 0.89A 5bw4B-3iwaA:
undetectable		 5bw4B-3iwaA:
22.29
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.
3iwj PUTATIVE
AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		5 GLY A  71
ALA A  75
ALA A 173
LEU A 476
ALA A 130
 None
 1.25A 5bw4B-3iwjA:
4.2		 5bw4B-3iwjA:
21.54
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.
3j4j TRANSLATION
INITIATION FACTOR
IF-2

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF04760
(IF2_N)
PF11987
(IF-2) 		5 GLY A 222
GLY A 220
ALA A 217
ALA A 178
ILE A 213
 None
 1.10A 5bw4B-3j4jA:
undetectable		 5bw4B-3j4jA:
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.
3ksx NITRATE TRANSPORT
PROTEIN

(Xanthomonas
citri) 		PF09084
(NMT1) 		5 GLY A 240
ALA A 247
ILE A 250
LEU A 268
ALA A 274
 None
 1.10A 5bw4B-3ksxA:
undetectable		 5bw4B-3ksxA:
25.60
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.
3lg3 ISOCITRATE LYASE

(Yersinia pestis) 		PF00463
(ICL) 		5 GLY A 183
LEU A 230
LYS A  53
LEU A  54
ALA A 221
 None
 0.84A 5bw4B-3lg3A:
undetectable		 5bw4B-3lg3A:
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.
3lmd GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Corynebacterium
glutamicum) 		PF00348
(polyprenyl_synt) 		5 GLY A 206
GLY A 209
ALA A  99
ILE A 202
ALA A 215
 None
 1.25A 5bw4B-3lmdA:
undetectable		 5bw4B-3lmdA:
24.26
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.
3m3p GLUTAMINE AMIDO
TRANSFERASE

(Methylobacillus
flagellatus) 		PF00117
(GATase) 		5 PRO A  43
ALA A  44
ILE A   9
LEU A  52
ALA A  80
 None
 1.25A 5bw4B-3m3pA:
undetectable		 5bw4B-3m3pA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 GLY A  32
GLY A  34
ARG A  60
LEU A 102
LEU A 108
 SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
SAH  A 216 (-4.5A)
SAH  A 216 (-4.6A)
SAH  A 216 (-4.0A)
 0.60A 5bw4B-3mq2A:
27.2		 5bw4B-3mq2A:
35.29
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.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		5 GLY A 308
ALA A 224
ALA A 219
LEU A 217
ALA A 312
 None
 1.27A 5bw4B-3ox4A:
undetectable		 5bw4B-3ox4A:
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.
3pr4 DNA POLYMERASE IV

(Sulfolobus
solfataricus) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		5 GLY A 143
ALA A 121
ILE A 166
LYS A 146
ALA A 107
 None
 1.15A 5bw4B-3pr4A:
undetectable		 5bw4B-3pr4A:
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.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		5 GLY A  59
GLY A 112
ALA A 136
ILE A 139
LEU A 109
 None
 0.96A 5bw4B-3qokA:
undetectable		 5bw4B-3qokA:
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.
3rwk INULINASE

(Aspergillus
ficuum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 GLY X 266
GLY X 264
PRO X 261
ALA X 262
ARG X 295
 NA  X 521 ( 4.2A)
MAN  X 519 (-3.3A)
None
None
MAN  X 517 (-3.1A)
 1.27A 5bw4B-3rwkX:
undetectable		 5bw4B-3rwkX:
19.96
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.
3sx2 PUTATIVE
3-KETOACYL-(ACYL-CAR
RIER-PROTEIN)
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  22
GLY A  24
ALA A 248
ALA A 243
ALA A 108
 NAD  A 300 (-3.6A)
None
None
None
NAD  A 300 (-3.5A)
 1.18A 5bw4B-3sx2A:
5.3		 5bw4B-3sx2A:
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.
3vc1 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
coelicolor) 		PF08241
(Methyltransf_11) 		5 GLY A  41
GLY A  45
ALA A  75
ILE A  74
LEU A  40
 None
 1.22A 5bw4B-3vc1A:
12.1		 5bw4B-3vc1A:
27.54
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.
3vom PUTATIVE
PHOSPHOSERINE
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		5 GLY A  80
GLY A  82
ALA A 211
ILE A  78
LEU A  79
 None
 1.17A 5bw4B-3vomA:
undetectable		 5bw4B-3vomA:
27.05
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.
4arx PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 GLY A 495
PRO A 475
ARG A 532
LEU A 241
LEU A 263
 None
 1.27A 5bw4B-4arxA:
undetectable		 5bw4B-4arxA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c1o BETA-XYLOSIDASE

(Parageobacillus
thermoglucosidasius) 		PF03512
(Glyco_hydro_52) 		6 GLY A 598
ALA A 533
ALA A 595
ILE A 596
LEU A 599
ALA A 542
 None
 1.31A 5bw4B-4c1oA:
undetectable		 5bw4B-4c1oA:
18.40
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.
4eaa PEROSAMINE
N-ACETYLTRANSFERASE

(Caulobacter
vibrioides) 		PF00132
(Hexapep) 		5 GLY A 170
GLY A 172
ARG A 174
ILE A 186
ALA A 137
 COA  A 302 (-3.4A)
None
None
None
None
 0.82A 5bw4B-4eaaA:
undetectable		 5bw4B-4eaaA:
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.
4gvr METHENYLTETRAHYDROME
THANOPTERIN
CYCLOHYDROLASE

(Archaeoglobus
fulgidus) 		PF02289
(MCH) 		5 GLY A  91
PRO A 111
ALA A   8
ILE A   7
LEU A  60
 None
 1.16A 5bw4B-4gvrA:
undetectable		 5bw4B-4gvrA:
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.
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis vinifera) 		PF00701
(DHDPS) 		5 GLY A 151
ALA A 125
ALA A 110
ILE A 111
ALA A 178
 None
 1.08A 5bw4B-4hnnA:
undetectable		 5bw4B-4hnnA:
25.61
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.
4j3z MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 209
ALA A 170
ALA A 190
LEU A 232
ALA A 258
 None
 0.88A 5bw4B-4j3zA:
undetectable		 5bw4B-4j3zA:
22.45
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.
4jbe GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Saccharomonospora
viridis) 		PF00171
(Aldedh) 		5 GLY A 122
ALA A  13
ALA A 145
LEU A 206
ALA A 220
 GLY  A 122 ( 0.0A)
ALA  A  13 ( 0.0A)
ALA  A 145 ( 0.0A)
LEU  A 206 ( 0.6A)
ALA  A 220 ( 0.0A)
 0.99A 5bw4B-4jbeA:
3.2		 5bw4B-4jbeA:
25.88
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.
4k6c ACETOACETYL-COA
REDUCTASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 GLY A  14
GLY A  16
PRO A 215
ALA A 187
ALA A  89
 None
 1.22A 5bw4B-4k6cA:
6.1		 5bw4B-4k6cA:
26.28
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.
4kh3 ANTIGEN 43

(Escherichia
coli) 		PF16168
(AIDA) 		5 GLY A 177
GLY A 194
ALA A 196
ALA A 160
ILE A 126
 None
 1.22A 5bw4B-4kh3A:
undetectable		 5bw4B-4kh3A:
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.
4kh3 ANTIGEN 43

(Escherichia
coli) 		PF16168
(AIDA) 		5 GLY A 212
GLY A 231
ALA A 233
ALA A 196
ILE A 173
 None
 1.21A 5bw4B-4kh3A:
undetectable		 5bw4B-4kh3A:
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.
4lvo SUBTILISIN-LIKE
SERINE PROTEASE

(Plasmodium
falciparum) 		PF00082
(Peptidase_S8) 		5 GLY A 434
GLY A 448
ILE A 375
LYS A 383
LEU A 382
 None
 1.25A 5bw4B-4lvoA:
2.1		 5bw4B-4lvoA:
17.82
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.
4oqy (S)-IMINE REDUCTASE

(Streptomyces
sp. GF3546) 		PF03446
(NAD_binding_2) 		5 GLY A  10
GLY A  12
ALA A  72
ILE A  76
ALA A  17
 NDP  A1000 (-3.4A)
NDP  A1000 (-3.7A)
NDP  A1000 (-3.5A)
None
None
 1.25A 5bw4B-4oqyA:
5.0		 5bw4B-4oqyA:
26.25
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.
4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		6 GLY Y  32
GLY Y  34
PRO Y  56
ALA Y  86
LEU Y 104
LEU Y 110
 SFG  Y 301 (-3.9A)
SFG  Y 301 (-3.1A)
SFG  Y 301 (-4.4A)
SFG  Y 301 ( 4.1A)
SFG  Y 301 (-4.6A)
SFG  Y 301 (-4.0A)
 0.58A 5bw4B-4ox9Y:
27.5		 5bw4B-4ox9Y:
27.63
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.
4q6p CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF17033
(Peptidase_M99)
PF17129
(Peptidase_M99_C)
PF17130
(Peptidase_M99_m) 		5 GLY A  51
ALA A 223
ALA A 239
ILE A 240
LEU A 237
 None
 0.92A 5bw4B-4q6pA:
undetectable		 5bw4B-4q6pA:
22.70
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		5 GLY A 120
PRO A 135
ALA A 127
LEU A  30
LEU A 121
 None
None
None
3LL  A 501 (-4.2A)
None
 1.19A 5bw4B-4rcdA:
undetectable		 5bw4B-4rcdA:
21.77
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.
4rfs SUBSTRATE BINDING
PRITEIN S

(Lactobacillus
brevis) 		PF12822
(ECF_trnsprt) 		5 GLY S  99
GLY S 103
ALA S 123
ALA S 128
LEU S  58
 None
 0.99A 5bw4B-4rfsS:
undetectable		 5bw4B-4rfsS:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rhh BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF03512
(Glyco_hydro_52) 		6 GLY A 576
ALA A 511
ALA A 573
ILE A 574
LEU A 577
ALA A 520
 None
 1.29A 5bw4B-4rhhA:
undetectable		 5bw4B-4rhhA:
17.43
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.
4twr NAD BINDING
SITE:NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E:UDP-GLUCOSE
4-EPIMERASE

(Brucella
abortus) 		PF01370
(Epimerase) 		5 GLY A  25
GLY A  27
PRO A  30
ALA A  29
ALA A  20
 None
 0.95A 5bw4B-4twrA:
undetectable		 5bw4B-4twrA:
29.28
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.
4wk4 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP) 		5 GLY A 133
GLY A 167
PRO A 150
LEU A 118
ALA A 103
 None
 1.19A 5bw4B-4wk4A:
undetectable		 5bw4B-4wk4A:
22.07
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.
4xcg THERMOSOME SUBUNIT
BETA

(Sulfolobus
solfataricus) 		PF00118
(Cpn60_TCP1) 		5 GLY B 105
ALA B 103
ILE B  77
LEU B  78
ALA B 517
 None
 1.09A 5bw4B-4xcgB:
undetectable		 5bw4B-4xcgB:
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.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		5 GLY A  44
PRO A 153
ARG A 151
ALA A 172
LEU A 170
 None
 1.09A 5bw4B-4yjiA:
undetectable		 5bw4B-4yjiA:
22.13
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 339
GLY A 335
ILE A 343
LEU A 305
ALA A 281
 None
 1.21A 5bw4B-4zohA:
undetectable		 5bw4B-4zohA:
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLY A 511
PRO A 592
ALA A 598
ILE A 602
LEU A 864
 None
 1.14A 5bw4B-5a0zA:
undetectable		 5bw4B-5a0zA:
15.46
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.
5a60 INORGANIC
TRIPHOSPHATASE

(Escherichia
coli) 		PF01928
(CYTH) 		5 GLY A  76
ALA A 234
ALA A 257
ILE A 258
LEU A 311
 None
 1.22A 5bw4B-5a60A:
undetectable		 5bw4B-5a60A:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 554
ALA A 421
ILE A 480
LEU A 522
ALA A 390
 None
 1.25A 5bw4B-5a7mA:
2.0		 5bw4B-5a7mA:
17.10
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.
5b58 PUTATIVE HEMIN ABC
TRANSPORT SYSTEM,
MEMBRANE PROTEIN

(Burkholderia
cenocepacia) 		PF01032
(FecCD) 		5 GLY A 289
GLY A  96
ALA A 100
ALA A 111
LEU A 290
 None
 1.07A 5bw4B-5b58A:
undetectable		 5bw4B-5b58A:
26.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bw4 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Catenulispora
acidiphila) 		no annotation 9 GLY A  38
GLY A  40
PRO A  62
ALA A  63
ALA A  92
ILE A  93
LEU A 110
LYS A 115
LEU A 116
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.5A)
SAM  A 301 ( 4.0A)
SAM  A 301 ( 4.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-4.7A)
None
SAM  A 301 (-4.0A)
 0.50A 5bw4B-5bw4A:
34.6		 5bw4B-5bw4A:
100.00
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.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 106
GLY A  71
ALA A  73
ILE A 313
LEU A 111
 None
 1.02A 5bw4B-5by7A:
undetectable		 5bw4B-5by7A:
27.95
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.
5cvc SERINE RACEMASE

(Zea mays) 		PF00291
(PALP) 		5 GLY A 172
ALA A  26
ALA A  31
LEU A 178
ALA A 205
 None
 0.82A 5bw4B-5cvcA:
undetectable		 5bw4B-5cvcA:
23.29
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 GLY A  13
PRO A  10
ALA A  54
LEU A  82
ALA A  22
 None
 1.19A 5bw4B-5dmhA:
undetectable		 5bw4B-5dmhA:
25.05
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.
5e6k POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 233
GLY A 235
ALA A  33
ILE A  34
ALA A 347
 None
 1.21A 5bw4B-5e6kA:
undetectable		 5bw4B-5e6kA:
20.87
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.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 233
GLY A 235
ALA A  33
ILE A  34
ALA A 347
 None
 1.21A 5bw4B-5enyA:
undetectable		 5bw4B-5enyA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fhx ANTIBODY FRAGMENT
LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY L 219
PRO L 126
ALA L 127
ILE L 137
LEU L 222
 None
 1.17A 5bw4B-5fhxL:
undetectable		 5bw4B-5fhxL:
22.13
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.
5i32 AQUAPORIN TIP2-1

(Arabidopsis
thaliana) 		PF00230
(MIP) 		5 GLY A 178
PRO A 174
ALA A 173
ALA A  72
ALA A 152
 None
 1.14A 5bw4B-5i32A:
undetectable		 5bw4B-5i32A:
25.00
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.
5jbw 3-HYDROXYBUTYRYL-COA
DEHYDRATASE

(Myxococcus
xanthus) 		PF00378
(ECH_1) 		5 GLY A 110
ALA A  59
ALA A  25
ILE A  26
LEU A 115
 None
 1.16A 5bw4B-5jbwA:
undetectable		 5bw4B-5jbwA:
24.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lhk LEUCINE
AMINOPEPTIDASE 2,
CHLOROPLASTIC

(Streptomyces
sp. BC16019) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 GLY A 483
PRO A 466
ALA A 464
LEU A 183
ALA A 293
 None
 1.21A 5bw4B-5lhkA:
undetectable		 5bw4B-5lhkA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lt9 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
PCTB

(Pseudomonas
aeruginosa) 		PF02743
(dCache_1) 		5 GLY A 253
ALA A 135
ALA A 157
ILE A 156
LEU A 140
 None
 0.91A 5bw4B-5lt9A:
undetectable		 5bw4B-5lt9A:
25.00
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.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 609
GLY A 611
ALA A 591
LEU A 616
ALA A 666
 None
 1.27A 5bw4B-5nd5A:
3.3		 5bw4B-5nd5A:
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.
5nzg UDP-GLUCOSE
PYROPHOSPHORYLASE

(Leishmania
major) 		no annotation 5 GLY A 326
ALA A  27
ALA A 197
LYS A 203
LEU A 204
 None
None
None
None
EDO  A 605 (-3.6A)
 0.92A 5bw4B-5nzgA:
undetectable		 5bw4B-5nzgA:
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 5 GLY 1 405
GLY 1 408
ILE 1 401
LEU 1 549
ALA 1 556
 BCR  1 848 ( 3.9A)
BCR  1 847 (-3.6A)
CLA  1 826 ( 3.7A)
BCR  1 848 (-3.9A)
None
 1.16A 5bw4B-5oy01:
undetectable		 5bw4B-5oy01:
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.
5t2u OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 GLY A  16
GLY A  18
ALA A 212
ALA A 207
ALA A  83
 NAP  A 301 (-3.4A)
None
None
None
NAP  A 301 ( 3.7A)
 1.05A 5bw4B-5t2uA:
5.5		 5bw4B-5t2uA:
26.80
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.
5wya ISOLEUCINE
2-EPIMERASE

(Lactobacillus
buchneri) 		PF00202
(Aminotran_3) 		5 PRO A 412
ALA A  37
LEU A 407
LEU A  51
ALA A 392
 None
 1.26A 5bw4B-5wyaA:
undetectable		 5bw4B-5wyaA:
21.75
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.
5xjj MULTI DRUG EFFLUX
TRANSPORTER

(Camelina sativa) 		PF01554
(MatE) 		5 GLY A 333
ALA A 309
ALA A  38
ILE A 302
LEU A 338
 None
 1.01A 5bw4B-5xjjA:
undetectable		 5bw4B-5xjjA:
21.17
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 5 GLY A 908
ILE A 541
LEU A 596
LEU A 538
ALA A 916
 None
 1.07A 5bw4B-5xqoA:
undetectable		 5bw4B-5xqoA:
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.
5y2d -

(-) 		no annotation 5 GLY A 100
GLY A 222
PRO A 218
ALA A 238
ALA A 149
 None
 1.10A 5bw4B-5y2dA:
undetectable		 5bw4B-5y2dA:
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.
5y8p PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A   8
GLY A  10
PRO A  32
ALA A  33
LEU A  65
 None
 0.97A 5bw4B-5y8pA:
4.7		 5bw4B-5y8pA:
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.
5z0r EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY
1,VIRAL GENOME
PROTEIN

(Escherichia
coli) 		no annotation 5 GLY A  57
GLY A  55
ALA A 270
ARG A 440
ILE A  61
 None
 0.97A 5bw4B-5z0rA:
undetectable		 5bw4B-5z0rA:
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 5 GLY A 529
PRO A 544
ALA A 536
LEU A 439
LEU A 530
 None
None
None
B7E  A 901 (-4.6A)
None
 1.21A 5bw4B-6ej2A:
undetectable		 5bw4B-6ej2A:
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.
6f45 -

(-) 		no annotation 5 GLY D 114
GLY D 152
ALA D  90
LEU D  92
ALA D 245
 None
 1.18A 5bw4B-6f45D:
undetectable		 5bw4B-6f45D:
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.
1aua PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
SEC14P

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		3 ASP A  54
GLU A  80
SER A 163
 None
 0.84A 5bw4B-1auaA:
undetectable		 5bw4B-1auaA:
23.17
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.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		3 ASP A 288
GLU A  71
SER A  93
 None
 0.86A 5bw4B-1crlA:
2.0		 5bw4B-1crlA:
19.96
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.
1fep FERRIC ENTEROBACTIN
RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ASP A 232
GLU A 117
SER A  93
 None
 0.80A 5bw4B-1fepA:
undetectable		 5bw4B-1fepA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i6q LACTOFERRIN

(Camelus
dromedarius) 		PF00405
(Transferrin) 		3 ASP A 395
GLU A 354
SER A 676
 None
 0.81A 5bw4B-1i6qA:
undetectable		 5bw4B-1i6qA:
17.92
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.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		3 ASP A 546
GLU A 696
SER A 572
 None
 0.87A 5bw4B-1ileA:
undetectable		 5bw4B-1ileA:
16.87
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.
1jio CYTOCHROME P450
107A1

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		3 ASP A 142
GLU A 131
SER A 172
 None
 0.86A 5bw4B-1jioA:
undetectable		 5bw4B-1jioA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m1l SUPPRESSOR OF FUSED

(Homo sapiens) 		PF05076
(SUFU) 		3 ASP A 159
GLU A 181
SER A 151
 None
 0.75A 5bw4B-1m1lA:
undetectable		 5bw4B-1m1lA:
23.53
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.
1mky PROBABLE GTP-BINDING
PROTEIN ENGA

(Thermotoga
maritima) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		3 ASP A  90
GLU A 125
SER A  15
 None
None
PO4  A 601 (-2.9A)
 0.86A 5bw4B-1mkyA:
undetectable		 5bw4B-1mkyA:
21.03
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.
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) 		3 ASP A1297
GLU A 699
SER A 928
 None
 0.81A 5bw4B-1n5xA:
undetectable		 5bw4B-1n5xA:
12.58
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.
1pjm IMPORTIN ALPHA-2
SUBUNIT

(Mus musculus) 		PF00514
(Arm)
PF16186
(Arm_3) 		3 ASP B 280
GLU B 354
SER B 194
 None
 0.46A 5bw4B-1pjmB:
undetectable		 5bw4B-1pjmB:
22.22
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.
1qo8 FLAVOCYTOCHROME C3
FUMARATE REDUCTASE

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		3 ASP A  27
GLU A  32
SER A 119
 None
 0.79A 5bw4B-1qo8A:
2.3		 5bw4B-1qo8A:
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.
1tdq TENASCIN-R
AGGRECAN CORE
PROTEIN

(Rattus
norvegicus;
Rattus
norvegicus) 		PF00041
(fn3)
PF00059
(Lectin_C) 		3 ASP B 112
GLU B  82
SER A 129
 CA  B 127 (-2.9A)
None
None
 0.76A 5bw4B-1tdqB:
undetectable		 5bw4B-1tdqB:
17.14
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.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA
OXYSTEROLS RECEPTOR
LXR-ALPHA

(Homo sapiens;
Homo sapiens) 		PF00104
(Hormone_recep)
PF00104
(Hormone_recep) 		3 ASP A 450
GLU A 378
SER B 303
 None
 0.85A 5bw4B-1uhlA:
undetectable		 5bw4B-1uhlA:
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.
1z45 GAL10 BIFUNCTIONAL
PROTEIN

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim)
PF16363
(GDP_Man_Dehyd) 		3 ASP A 247
GLU A 153
SER A 340
 None
 0.72A 5bw4B-1z45A:
5.4		 5bw4B-1z45A:
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		3 ASP A 465
GLU A 457
SER A 704
 None
 0.86A 5bw4B-1z8lA:
undetectable		 5bw4B-1z8lA:
17.32
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.
2c8j FERROCHELATASE 1

(Bacillus
anthracis) 		PF00762
(Ferrochelatase) 		3 ASP A 236
GLU A 278
SER A 183
 None
 0.79A 5bw4B-2c8jA:
undetectable		 5bw4B-2c8jA:
20.59
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.
2ekl D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		3 ASP A  80
GLU A  85
SER A 101
 None
None
NAD  A1300 (-3.1A)
 0.75A 5bw4B-2eklA:
undetectable		 5bw4B-2eklA:
22.16
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		3 ASP A  72
GLU A 216
SER A 291
 None
 0.75A 5bw4B-2eyqA:
undetectable		 5bw4B-2eyqA:
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.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		3 ASP A 310
GLU A 254
SER A 382
 NA  A 997 (-3.2A)
None
PO4  A 900 ( 4.9A)
 0.83A 5bw4B-2f6dA:
undetectable		 5bw4B-2f6dA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hzg MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME/ENOLASE
SUPERFAMILY

(Rhodobacter
sphaeroides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ASP A 277
GLU A 227
SER A  51
 None
NA  A1101 (-3.2A)
None
 0.82A 5bw4B-2hzgA:
2.3		 5bw4B-2hzgA:
23.26
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.
2i79 ACETYLTRANSFERASE,
GNAT FAMILY

(Streptococcus
pneumoniae) 		PF00583
(Acetyltransf_1) 		3 ASP A  89
GLU A 147
SER A  56
 None
 0.80A 5bw4B-2i79A:
undetectable		 5bw4B-2i79A:
18.71
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.
2iic ALPHA-11 GIARDIN

(Giardia
intestinalis) 		no annotation 3 ASP A 211
GLU A 168
SER A 238
 None
 0.80A 5bw4B-2iicA:
undetectable		 5bw4B-2iicA:
23.51
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		3 ASP X 101
GLU X 385
SER X 374
 None
 0.82A 5bw4B-2iv2X:
1.5		 5bw4B-2iv2X:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		3 ASP A 284
GLU A 100
SER A  74
 None
 0.84A 5bw4B-2jg5A:
2.6		 5bw4B-2jg5A:
22.89
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.
2kpm UNCHARACTERIZED
PROTEIN

(Nitrosomonas
europaea) 		PF12872
(OST-HTH) 		3 ASP A  68
GLU A  16
SER A   5
 None
 0.80A 5bw4B-2kpmA:
undetectable		 5bw4B-2kpmA:
16.48
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.
2p1n TRANSPORT INHIBITOR
RESPONSE 1 PROTEIN

(Arabidopsis
thaliana) 		PF12937
(F-box-like) 		3 ASP B 162
GLU B  72
SER B 271
 None
 0.86A 5bw4B-2p1nB:
undetectable		 5bw4B-2p1nB:
19.44
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.
2qq6 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ASP A 171
GLU A 266
SER A 147
 None
MG  A 409 (-2.4A)
None
 0.67A 5bw4B-2qq6A:
undetectable		 5bw4B-2qq6A:
22.93
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.
2vou 2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE

(Paenarthrobacter
nicotinovorans) 		PF00070
(Pyr_redox) 		3 ASP A  99
GLU A 215
SER A  37
 None
 0.73A 5bw4B-2vouA:
3.7		 5bw4B-2vouA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vqa SLL1358 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00190
(Cupin_1) 		3 ASP A 340
GLU A 114
SER A 247
 None
 0.85A 5bw4B-2vqaA:
undetectable		 5bw4B-2vqaA:
23.58
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.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22)
PF01163
(RIO1) 		3 ASP A 451
GLU A 384
SER A 493
 None
 0.74A 5bw4B-2vwbA:
undetectable		 5bw4B-2vwbA:
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.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		3 ASP A  56
GLU A  63
SER A  99
 None
 0.86A 5bw4B-3e0fA:
undetectable		 5bw4B-3e0fA:
25.08
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.
3g6s PUTATIVE
ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE
FAMILY PROTEIN

(Bacteroides
vulgatus) 		PF03372
(Exo_endo_phos) 		3 ASP A 172
GLU A  77
SER A 179
 None
 0.80A 5bw4B-3g6sA:
undetectable		 5bw4B-3g6sA:
21.62
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.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		3 ASP A 144
GLU A 168
SER A 306
 None
 0.86A 5bw4B-3h1lA:
undetectable		 5bw4B-3h1lA:
22.42
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.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I
MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN 2

(Gallus gallus;
Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		3 ASP B 114
GLU B  39
SER A 400
 None
 0.83A 5bw4B-3h1lB:
undetectable		 5bw4B-3h1lB:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hka URONATE ISOMERASE

(Bacillus
halodurans) 		no annotation 3 ASP A 271
GLU A  44
SER A 223
 None
None
FIX  A 428 ( 4.1A)
 0.79A 5bw4B-3hkaA:
undetectable		 5bw4B-3hkaA:
21.60
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.
3iv6 PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		no annotation 3 ASP A 187
GLU A 203
SER A 163
 None
 0.75A 5bw4B-3iv6A:
0.8		 5bw4B-3iv6A:
23.51
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.
3jur EXO-POLY-ALPHA-D-GAL
ACTURONOSIDASE

(Thermotoga
maritima) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		3 ASP A 260
GLU A 304
SER A 352
 None
 0.73A 5bw4B-3jurA:
undetectable		 5bw4B-3jurA:
20.35
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.
3m1h LYSINE SPECIFIC
CYSTEINE PROTEASE

(Porphyromonas
gingivalis) 		PF07675
(Cleaved_Adhesin) 		3 ASP A1596
GLU A1428
SER A1464
 CA  A2002 ( 4.7A)
None
None
 0.77A 5bw4B-3m1hA:
undetectable		 5bw4B-3m1hA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mgz 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00926
(DHBP_synthase) 		3 ASP A  24
GLU A 146
SER A 168
 SO4  A 300 ( 4.9A)
SO4  A 300 ( 4.7A)
None
 0.83A 5bw4B-3mgzA:
undetectable		 5bw4B-3mgzA:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		3 ASP A  55
GLU A  88
SER A 192
 SAH  A 216 (-2.9A)
SAH  A 216 (-2.9A)
SAH  A 216 (-3.3A)
 0.76A 5bw4B-3mq2A:
27.2		 5bw4B-3mq2A:
35.29
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.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ASP A 337
GLU A 261
SER A 173
 None
MG  A 400 ( 4.0A)
None
 0.74A 5bw4B-3mwcA:
undetectable		 5bw4B-3mwcA:
21.60
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.
3o6x GLUTAMINE SYNTHETASE

(Bacteroides
fragilis) 		PF00120
(Gln-synt_C)
PF12437
(GSIII_N) 		3 ASP A  37
GLU A 299
SER A  81
 None
 0.82A 5bw4B-3o6xA:
undetectable		 5bw4B-3o6xA:
16.32
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.
3odw RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		3 ASP A 440
GLU A 448
SER A 472
 None
 0.86A 5bw4B-3odwA:
undetectable		 5bw4B-3odwA:
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.
3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Lactobacillus
brevis) 		PF00348
(polyprenyl_synt) 		3 ASP A  88
GLU A 150
SER A  44
 None
 0.77A 5bw4B-3pkoA:
undetectable		 5bw4B-3pkoA:
25.36
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.
3q4i PHOSPHOHYDROLASE
(MUTT/NUDIX FAMILY
PROTEIN)

(Bacillus cereus) 		PF00293
(NUDIX)
PF12535
(Nudix_N) 		3 ASP A  70
GLU A 116
SER A 140
 None
GD3  A 301 (-3.1A)
None
 0.86A 5bw4B-3q4iA:
undetectable		 5bw4B-3q4iA:
18.05
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.
3qqw PUTATIVE CITRATE
LYASE

(Cupriavidus
pinatubonensis) 		PF03328
(HpcH_HpaI) 		3 ASP A  90
GLU A 127
SER A 181
 None
 0.71A 5bw4B-3qqwA:
undetectable		 5bw4B-3qqwA:
24.65
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.
3swj PUTATIVE
UNCHARACTERIZED
PROTEIN

(Campylobacter
jejuni) 		PF01243
(Putative_PNPOx)
PF10615
(DUF2470) 		3 ASP A 229
GLU A 148
SER A 241
 None
 0.82A 5bw4B-3swjA:
undetectable		 5bw4B-3swjA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4f MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ASP A 258
GLU A 209
SER A  36
 None
MG  A 371 ( 2.9A)
None
 0.67A 5bw4B-3u4fA:
undetectable		 5bw4B-3u4fA:
22.60
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.
3wfo POLY A POLYMERASE

(Aquifex
aeolicus) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		3 ASP A  58
GLU A 195
SER A 114
 None
SO4  A 601 ( 4.4A)
None
 0.69A 5bw4B-3wfoA:
undetectable		 5bw4B-3wfoA:
20.97
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.
3wfp POLY A POLYMERASE

(synthetic
construct;
Aquifex
aeolicus) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		3 ASP A  58
GLU A 195
SER A 114
 SO4  A1001 ( 4.7A)
None
None
 0.71A 5bw4B-3wfpA:
undetectable		 5bw4B-3wfpA:
22.94
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		3 ASP A 387
GLU A 377
SER A 145
 None
 0.79A 5bw4B-3wy2A:
undetectable		 5bw4B-3wy2A:
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.
3zq6 PUTATIVE ARSENICAL
PUMP-DRIVING ATPASE

(Methanothermobacter
thermautotrophicus) 		PF02374
(ArsA_ATPase) 		3 ASP A 163
GLU A 204
SER A 218
 None
 0.67A 5bw4B-3zq6A:
undetectable		 5bw4B-3zq6A:
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.
4ccl 50S RIBOSOMAL
PROTEIN L16 ARGININE
HYDROXYLASE

(Escherichia
coli) 		PF08007
(Cupin_4) 		3 ASP A 326
GLU A 262
SER A 366
 None
 0.84A 5bw4B-4cclA:
undetectable		 5bw4B-4cclA:
21.12
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.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		3 ASP A 371
GLU A 257
SER A  90
 None
 0.86A 5bw4B-4cgtA:
undetectable		 5bw4B-4cgtA:
17.98
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.
4d51 CYMA

(Klebsiella
oxytoca) 		PF16941
(CymA) 		3 ASP A   3
GLU A 224
SER A 162
 None
 0.85A 5bw4B-4d51A:
undetectable		 5bw4B-4d51A:
19.22
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.
4ecg PUTATIVE
IRON-REGULATED
PROTEIN A

(Parabacteroides
distasonis) 		PF09375
(Peptidase_M75) 		3 ASP A 131
GLU A 158
SER A 303
 CA  A 504 (-3.3A)
None
None
 0.71A 5bw4B-4ecgA:
undetectable		 5bw4B-4ecgA:
22.83
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.
4fhn NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		3 ASP B  87
GLU B  19
SER B 527
 None
 0.86A 5bw4B-4fhnB:
undetectable		 5bw4B-4fhnB:
12.20
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		3 ASP A 581
GLU A1041
SER A 530
 None
 0.87A 5bw4B-4j3bA:
undetectable		 5bw4B-4j3bA:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		3 ASP A 372
GLU A 258
SER A  90
 GOL  A 716 (-2.7A)
None
EDO  A 727 ( 4.8A)
 0.83A 5bw4B-4jclA:
undetectable		 5bw4B-4jclA:
17.62
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.
4k2n ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE

(Magnetospirillum
magneticum) 		PF00378
(ECH_1) 		3 ASP A 190
GLU A  10
SER A 128
 None
 0.78A 5bw4B-4k2nA:
undetectable		 5bw4B-4k2nA:
26.49
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.
4lrj EFFECTOR NLEH1

(Escherichia
coli) 		no annotation 3 ASP A 239
GLU A 169
SER A 208
 None
 0.76A 5bw4B-4lrjA:
undetectable		 5bw4B-4lrjA:
20.68
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.
4mc5 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		3 ASP A  98
GLU A 103
SER A 219
 None
 0.86A 5bw4B-4mc5A:
undetectable		 5bw4B-4mc5A:
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.
4oe6 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		3 ASP A 142
GLU A 252
SER A  57
 None
 0.81A 5bw4B-4oe6A:
3.4		 5bw4B-4oe6A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pfy ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		3 ASP A 414
GLU A 382
SER A  39
 None
 0.82A 5bw4B-4pfyA:
undetectable		 5bw4B-4pfyA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qnx TRNA
(MO5U34)-METHYLTRANS
FERASE

(Escherichia
coli) 		PF08003
(Methyltransf_9) 		3 ASP A 152
GLU A 182
SER A 107
 None
SO4  A 404 (-4.7A)
None
 0.86A 5bw4B-4qnxA:
11.3		 5bw4B-4qnxA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wd9 NISIN BIOSYNTHESIS
PROTEIN NISB

(Lactococcus
lactis) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		3 ASP A 349
GLU A 544
SER A 836
 None
 0.82A 5bw4B-4wd9A:
undetectable		 5bw4B-4wd9A:
13.04
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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		3 ASP A 125
GLU A 164
SER A 113
 None
 0.69A 5bw4B-4wn9A:
undetectable		 5bw4B-4wn9A:
20.04
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.
4xmm NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		no annotation 3 ASP E 396
GLU E 447
SER E 529
 None
 0.71A 5bw4B-4xmmE:
undetectable		 5bw4B-4xmmE:
12.01
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.
4ztx COBALAMIN-INDEPENDEN
T METHIONINE
SYNTHASE

(Neurospora
crassa) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		3 ASP A 499
GLU A 494
SER A 521
 None
 0.84A 5bw4B-4ztxA:
undetectable		 5bw4B-4ztxA:
16.12
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.
5dhx ANTI-REV ANTIBODY
FAB SINGLE-CHAIN
VARIABLE FRAGMENT,
LIGHT CHAIN,ANTI-REV
ANTIBODY FAB
SINGLE-CHAIN
VARIABLE FRAGMENT,
HEAVY CHAIN

(Oryctolagus
cuniculus) 		PF07686
(V-set) 		3 ASP B 207
GLU B 112
SER B  31
 None
 0.85A 5bw4B-5dhxB:
undetectable		 5bw4B-5dhxB:
22.57
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		3 ASP A 864
GLU A 894
SER A 407
 None
 0.83A 5bw4B-5dkxA:
undetectable		 5bw4B-5dkxA:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dlq EXPORTIN-4

(Mus musculus) 		no annotation 3 ASP B 476
GLU B 468
SER B 349
 None
 0.86A 5bw4B-5dlqB:
undetectable		 5bw4B-5dlqB:
12.48
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.
5gy3 GLUCANASE

(Klebsiella
pneumoniae) 		PF01270
(Glyco_hydro_8) 		3 ASP A 217
GLU A  53
SER A 212
 None
 0.73A 5bw4B-5gy3A:
undetectable		 5bw4B-5gy3A:
23.19
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.
5h68 CHROMOSOME PARTITION
PROTEIN SMC

(Geobacillus
stearothermophilus) 		PF02463
(SMC_N) 		3 ASP A  42
GLU A 136
SER A1171
 None
 0.80A 5bw4B-5h68A:
undetectable		 5bw4B-5h68A:
23.58
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.
5hzw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		3 ASP A 113
GLU A 329
SER A 450
 NAG  A 801 ( 3.4A)
None
None
 0.82A 5bw4B-5hzwA:
undetectable		 5bw4B-5hzwA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i2g DIOL DEHYDRATASE

(Roseburia
inulinivorans) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		3 ASP A 362
GLU A 310
SER A 390
 None
 0.70A 5bw4B-5i2gA:
undetectable		 5bw4B-5i2gA:
16.67
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.
5ikz OXALATE BIOSYNTHETIC
COMPONENT 1

(Burkholderia
thailandensis) 		PF05853
(BKACE) 		3 ASP A 163
GLU A  53
SER A 125
 None
 0.57A 5bw4B-5ikzA:
undetectable		 5bw4B-5ikzA:
13.36
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.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		3 ASP A  86
GLU A  80
SER A 114
 None
 0.75A 5bw4B-5iq0A:
undetectable		 5bw4B-5iq0A:
24.86
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.
5j3u PROTEIN KINASE A

(Toxoplasma
gondii) 		PF00027
(cNMP_binding) 		3 ASP A 230
GLU A 383
SER A 251
 None
 0.85A 5bw4B-5j3uA:
undetectable		 5bw4B-5j3uA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		3 ASP A 840
GLU A 750
SER A 772
 75C  A1301 (-3.0A)
None
None
 0.81A 5bw4B-5ja1A:
undetectable		 5bw4B-5ja1A:
13.03
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		3 ASP A  37
GLU A 124
SER A 290
 None
 0.82A 5bw4B-5jd4A:
undetectable		 5bw4B-5jd4A:
23.86
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.
5jja SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
56 KDA REGULATORY
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF01603
(B56) 		3 ASP A 278
GLU A 241
SER A 318
 ASP  A 278 ( 0.6A)
GLU  A 241 ( 0.6A)
SER  A 318 ( 0.0A)
 0.64A 5bw4B-5jjaA:
undetectable		 5bw4B-5jjaA:
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		3 ASP A 384
GLU A 377
SER A 664
 None
 0.81A 5bw4B-5kf7A:
3.9		 5bw4B-5kf7A:
13.32
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.
5lq4 CYAGOX

(Cyanothece sp.
PCC 7425) 		PF00881
(Nitroreductase) 		3 ASP A   3
GLU A  78
SER A 110
 None
 0.84A 5bw4B-5lq4A:
undetectable		 5bw4B-5lq4A:
22.89
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.
5m6g BETA-GLUCOSIDASE

(Saccharopolyspora
erythraea) 		no annotation 3 ASP A 440
GLU A 519
SER A 451
 None
 0.86A 5bw4B-5m6gA:
2.6		 5bw4B-5m6gA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nec TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 3 ASP A 159
GLU A 123
SER A 688
 None
 0.82A 5bw4B-5necA:
undetectable		 5bw4B-5necA:
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 3 ASP A 213
GLU A 218
SER A 353
 None
 0.83A 5bw4B-5nqdA:
2.1		 5bw4B-5nqdA:
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.
5o6u UNCHARACTERIZED
PROTEIN

(Shewanella
putrefaciens) 		no annotation 3 ASP C 188
GLU C 240
SER C 124
 None
 0.72A 5bw4B-5o6uC:
undetectable		 5bw4B-5o6uC:
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.
5o9w THEBAINE
6-O-DEMETHYLASE

(Papaver
somniferum) 		no annotation 3 ASP A 144
GLU A 137
SER A 307
 None
None
AKG  A 402 (-2.5A)
 0.82A 5bw4B-5o9wA:
undetectable		 5bw4B-5o9wA:
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.
5ted LMO0488 PROTEIN

(Listeria
monocytogenes) 		no annotation 3 ASP B 286
GLU B 158
SER B  89
 None
 0.80A 5bw4B-5tedB:
undetectable		 5bw4B-5tedB:
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM6
CELL DIVISION CYCLE
PROTEIN CDT1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB)
PF16679
(CDT1_C) 		3 ASP 6 154
GLU 6 131
SER 8 522
 None
 0.65A 5bw4B-5udb6:
undetectable		 5bw4B-5udb6:
13.25
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.
5vni VESICLE-TRAFFICKING
PROTEIN SEC22B

(Mus musculus) 		PF13774
(Longin) 		3 ASP C  12
GLU C  46
SER C 111
 None
 0.76A 5bw4B-5vniC:
undetectable		 5bw4B-5vniC:
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.
5voc ENVELOPE
GLYCOPROTEIN H
ENVELOPE
GLYCOPROTEIN L

(Human
betaherpesvirus
5;
Human
betaherpesvirus
5) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C)
PF01801
(Cytomega_gL) 		3 ASP B 129
GLU B  94
SER A  68
 None
 0.71A 5bw4B-5vocB:
undetectable		 5bw4B-5vocB:
25.33
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.
5xw3 O-ACETYLSERINE LYASE

(Bacillus
anthracis) 		PF00291
(PALP) 		3 ASP A  45
GLU A  69
SER A 293
 None
 0.84A 5bw4B-5xw3A:
undetectable		 5bw4B-5xw3A:
22.56
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.
5yud BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 1E
PHASE 2
FLAGELLIN,FLAGELLIN

(Mus musculus;
Salmonella
enterica) 		no annotation
no annotation 		3 ASP C 436
GLU A 987
SER A 852
 None
 0.74A 5bw4B-5yudC:
undetectable		 5bw4B-5yudC:
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.
6avw CARBOXYLESTERASE
SOBER1

(Arabidopsis
thaliana) 		no annotation 3 ASP A 160
GLU A 198
SER A  69
 None
 0.64A 5bw4B-6avwA:
2.7		 5bw4B-6avwA:
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.
6bf6 INSULIN-DEGRADING
ENZYME

(Homo sapiens) 		no annotation 3 ASP A 935
GLU A 879
SER A 801
 None
 0.82A 5bw4B-6bf6A:
undetectable		 5bw4B-6bf6A:
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.
6f5o RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT
POLYMERASE BASIC
PROTEIN 2

(Influenza B
virus;
Influenza B
virus) 		no annotation
no annotation 		3 ASP C  85
GLU B 685
SER C  55
 None
 0.76A 5bw4B-6f5oC:
undetectable		 5bw4B-6f5oC:
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.
6fju -

(-) 		no annotation 3 ASP A 168
GLU A  68
SER A  19
 None
 0.80A 5bw4B-6fjuA:
undetectable		 5bw4B-6fjuA:
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 3 ASP A 287
GLU A 366
SER A 460
 None
 0.78A 5bw4B-6frvA:
undetectable		 5bw4B-6frvA:
undetectable