SIMILAR PATTERNS OF AMINO ACIDS FOR 5BW4_B_SAMB301_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.
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