SIMILAR PATTERNS OF AMINO ACIDS FOR 4PEV_B_ADNB501_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 GLY A 549
ASP A 548
PHE A 739
GLY A 742
ASP A 545
 None
 1.00A 4pevB-1b0kA:
0.0		 4pevB-1b0kA:
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.
1enf ENTEROTOXIN H

(Staphylococcus
aureus) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		5 VAL A 114
ASN A 210
GLY A 118
ASP A 117
GLY A 162
 None
 1.41A 4pevB-1enfA:
0.0		 4pevB-1enfA:
19.57
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.
1gq8 PECTINESTERASE

(Daucus carota) 		PF01095
(Pectinesterase) 		5 VAL A 234
SER A 300
PHE A 301
GLY A 198
GLY A 295
 None
 1.17A 4pevB-1gq8A:
0.0		 4pevB-1gq8A:
21.87
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.
1h1o CYTOCHROME C-552

(Acidithiobacillus
ferrooxidans) 		PF00034
(Cytochrom_C) 		5 ASP A 126
PHE A 107
ASN A 108
GLY A 127
GLY A 103
 None
 0.97A 4pevB-1h1oA:
0.0		 4pevB-1h1oA:
19.02
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.
1jft PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		5 VAL A 183
GLY A 186
PHE A 244
GLY A 273
ASP A 275
 None
None
None
None
HPA  A 599 (-2.8A)
 1.39A 4pevB-1jftA:
19.0		 4pevB-1jftA:
24.43
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.
1jhz PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		5 VAL A 183
GLY A 186
PHE A 244
GLY A 273
ASP A 275
 None
 1.36A 4pevB-1jhzA:
15.0		 4pevB-1jhzA:
22.17
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.
1m7s CATALASE

(Pseudomonas
syringae) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ASP A 215
ASN A 217
PHE A 138
PHE A 134
GLY A 149
 None
None
None
None
HEM  A 600 (-4.0A)
 1.24A 4pevB-1m7sA:
0.0		 4pevB-1m7sA:
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.
1oy0 KETOPANTOATE
HYDROXYMETHYLTRANSFE
RASE

(Mycobacterium
tuberculosis) 		PF02548
(Pantoate_transf) 		5 VAL A  60
SER A  78
GLY A 125
ASP A 124
ASP A  80
 None
 1.33A 4pevB-1oy0A:
1.8		 4pevB-1oy0A:
23.04
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.
1qgc PROTEIN (GH-LOOP
FROM VIRUS CAPSID
PROTEIN VP1)
PROTEIN
(IMMUNOGLOBULIN
HEAVY CHAIN)

(Foot-and-mouth
disease virus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
no annotation 		5 VAL A  97
ASP 5 143
PHE A 107
GLY A 106
ASP A 104
 None
 1.03A 4pevB-1qgcA:
undetectable		 4pevB-1qgcA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qvz YDR533C PROTEIN

(Saccharomyces
cerevisiae) 		PF01965
(DJ-1_PfpI) 		5 VAL A 190
GLY A 146
PHE A 102
PHE A 144
GLY A 140
 None
None
None
None
CSO  A 138 ( 4.4A)
 1.32A 4pevB-1qvzA:
3.1		 4pevB-1qvzA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tyj CELLULOSOMAL
SCAFFOLDIN

(Pseudobacteroides
cellulosolvens) 		PF00963
(Cohesin) 		5 ASN A  88
GLY A 144
PHE A 148
PHE A  36
GLY A  90
 None
 1.34A 4pevB-1tyjA:
undetectable		 4pevB-1tyjA:
16.35
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.
1ydw AX110P-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF01408
(GFO_IDH_MocA) 		5 ASP A 127
VAL A 104
GLY A 128
PHE A 160
GLY A 186
 None
 1.40A 4pevB-1ydwA:
6.4		 4pevB-1ydwA:
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.
1yns E-1 ENZYME

(Homo sapiens) 		no annotation 5 ASP A 212
VAL A 213
SER A 154
GLY A  19
PHE A  32
 MG  A1258 (-2.6A)
None
HPO  A1261 (-2.3A)
MG  A1258 ( 4.4A)
HPO  A1261 (-4.6A)
 1.24A 4pevB-1ynsA:
4.2		 4pevB-1ynsA:
22.09
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.
1z3q THAUMATIN-LIKE
PROTEIN

(Musa acuminata) 		PF00314
(Thaumatin) 		5 ASP A  96
SER A 110
PHE A 186
GLY A 118
ASP A 108
 EDO  A 902 ( 4.3A)
None
None
None
None
 1.28A 4pevB-1z3qA:
undetectable		 4pevB-1z3qA:
19.31
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.
2e1t ACYL TRANSFERASE

(Chrysanthemum x
morifolium) 		PF02458
(Transferase) 		5 ASP A  33
GLY A 318
PHE A  32
GLY A 322
ASP A 303
 None
None
None
None
MLC  A1001 (-4.8A)
 1.36A 4pevB-2e1tA:
undetectable		 4pevB-2e1tA:
21.28
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.
2enx MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
agalactiae) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 VAL A  21
SER A 120
GLY A   8
GLY A 147
ASP A 151
 None
None
None
None
MN  A 402 ( 2.7A)
 1.34A 4pevB-2enxA:
undetectable		 4pevB-2enxA:
23.62
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.
2fdr CONSERVED
HYPOTHETICAL PROTEIN

(Agrobacterium
fabrum) 		PF13419
(HAD_2) 		5 GLY A  91
ASP A  90
PHE A 186
GLY A  13
ASP A  17
 None
None
None
MG  A1001 ( 4.6A)
None
 1.12A 4pevB-2fdrA:
3.5		 4pevB-2fdrA:
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.
2fqx MEMBRANE LIPOPROTEIN
TMPC

(Treponema
pallidum) 		PF02608
(Bmp) 		7 ASP A  27
SER A  35
ASN A  37
ASP A 108
PHE A 161
PHE A 186
GLY A 212
 GMP  A 400 (-2.9A)
GMP  A 400 ( 4.6A)
GMP  A 400 (-3.3A)
GMP  A 400 (-3.3A)
GMP  A 400 ( 4.8A)
GMP  A 400 (-3.4A)
GMP  A 400 (-3.3A)
 0.93A 4pevB-2fqxA:
39.7		 4pevB-2fqxA:
28.05
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.
2fqx MEMBRANE LIPOPROTEIN
TMPC

(Treponema
pallidum) 		PF02608
(Bmp) 		5 ASP A 263
VAL A 264
ASP A 238
PHE A 161
ASP A 108
 None
None
GMP  A 400 (-2.9A)
GMP  A 400 ( 4.8A)
GMP  A 400 (-3.3A)
 1.22A 4pevB-2fqxA:
39.7		 4pevB-2fqxA:
28.05
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.
2fqx MEMBRANE LIPOPROTEIN
TMPC

(Treponema
pallidum) 		PF02608
(Bmp) 		10 SER A  35
PHE A  36
ASN A  37
GLY A  85
ASP A 108
PHE A 161
PHE A 186
GLY A 212
ASP A 238
LYS A 260
 GMP  A 400 ( 4.6A)
GMP  A 400 (-3.8A)
GMP  A 400 (-3.3A)
GMP  A 400 ( 3.7A)
GMP  A 400 (-3.3A)
GMP  A 400 ( 4.8A)
GMP  A 400 (-3.4A)
GMP  A 400 (-3.3A)
GMP  A 400 (-2.9A)
GMP  A 400 (-2.8A)
 0.84A 4pevB-2fqxA:
39.7		 4pevB-2fqxA:
28.05
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.
2qpt EH DOMAIN-CONTAINING
PROTEIN-2

(Mus musculus) 		PF00350
(Dynamin_N)
PF12763
(EF-hand_4)
PF16880
(EHD_N) 		5 VAL A 217
SER A  73
GLY A 255
ASP A 222
GLY A  70
 None
ANP  A 600 (-2.6A)
None
ANP  A 600 ( 4.6A)
ANP  A 600 (-3.0A)
 1.37A 4pevB-2qptA:
3.9		 4pevB-2qptA:
23.47
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.
2qts ACID-SENSING ION
CHANNEL

(Gallus gallus) 		PF00858
(ASC) 		5 ASP A 108
VAL A 104
PHE A 189
PHE A  99
GLY A 163
 None
 1.39A 4pevB-2qtsA:
undetectable		 4pevB-2qtsA:
21.15
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.
2rgy TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Paraburkholderia
phymatum) 		PF13377
(Peripla_BP_3) 		5 VAL A 210
GLY A 213
PHE A 271
GLY A 300
ASP A 302
 None
 1.41A 4pevB-2rgyA:
18.4		 4pevB-2rgyA:
20.95
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.
2v95 CORTICOSTEROID-BINDI
NG GLOBULIN

(Rattus
norvegicus) 		PF00079
(Serpin) 		5 VAL A 144
SER A 157
PHE A 156
ASN A 141
ASP A 160
 None
 1.38A 4pevB-2v95A:
undetectable		 4pevB-2v95A:
21.28
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN

(Azospirillum
brasilense) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ASP G 442
VAL G 242
GLY G 441
PHE G  90
GLY G 184
 FAD  G 484 (-3.1A)
None
FAD  G 484 (-3.4A)
None
FAD  G 484 (-3.4A)
 1.42A 4pevB-2vdcG:
5.4		 4pevB-2vdcG:
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.
2y3s TAML

(Streptomyces
sp. 307-9) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 VAL A 384
SER A 396
ASN A 382
GLY A 144
LYS A 399
 None
 1.38A 4pevB-2y3sA:
undetectable		 4pevB-2y3sA:
21.68
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.
2y6v PEROXISOMAL MEMBRANE
PROTEIN LPX1

(Saccharomyces
cerevisiae) 		PF12697
(Abhydrolase_6) 		5 ASP A  93
SER A  61
GLY A  98
PHE A 224
GLY A  60
 None
 1.11A 4pevB-2y6vA:
4.6		 4pevB-2y6vA:
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.
2yu1 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1A

(Homo sapiens) 		PF02373
(JmjC) 		5 ASP A 260
SER A 252
GLY A 259
PHE A  38
GLY A 254
 None
 1.04A 4pevB-2yu1A:
undetectable		 4pevB-2yu1A:
22.04
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.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 VAL A  60
PHE A 228
GLY A  53
GLY A  72
ASP A  76
 None
 1.32A 4pevB-2zxhA:
3.8		 4pevB-2zxhA:
21.94
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.
3bt6 INFLUENZA B
HEMAGGLUTININ (HA)

(Influenza B
virus) 		PF00509
(Hemagglutinin) 		5 VAL A 279
GLY B  68
GLY A 275
ASP A 183
LYS A 251
 None
 1.41A 4pevB-3bt6A:
undetectable		 4pevB-3bt6A:
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.
3c3k ALANINE RACEMASE

(Actinobacillus
succinogenes) 		PF13377
(Peripla_BP_3) 		5 VAL A 247
GLY A  67
ASP A  66
GLY A  38
LYS A   7
 None
 1.38A 4pevB-3c3kA:
19.4		 4pevB-3c3kA:
23.20
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.
3gdo UNCHARACTERIZED
OXIDOREDUCTASE YVAA

(Bacillus
subtilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 VAL A 208
GLY A 181
ASP A 185
PHE A 221
GLY A 237
 None
 1.34A 4pevB-3gdoA:
3.0		 4pevB-3gdoA:
22.53
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.
3gdo UNCHARACTERIZED
OXIDOREDUCTASE YVAA

(Bacillus
subtilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 VAL A 208
SER A 238
ASP A 185
PHE A 221
GLY A 237
 None
 1.41A 4pevB-3gdoA:
3.0		 4pevB-3gdoA:
22.53
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.
3hp7 HEMOLYSIN, PUTATIVE

(Streptococcus
thermophilus) 		PF01479
(S4)
PF01728
(FtsJ) 		5 ASP A 112
SER A  64
GLY A  90
ASP A 155
LYS A  69
 EOH  A 301 (-4.0A)
None
EOH  A 301 ( 3.7A)
None
None
 1.11A 4pevB-3hp7A:
undetectable		 4pevB-3hp7A:
20.32
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.
3j0h PHIKZ029

(Pseudomonas
virus phiKZ) 		no annotation 5 SER A 105
ASN A 103
GLY A 381
ASP A 380
GLY A 377
 None
 1.14A 4pevB-3j0hA:
undetectable		 4pevB-3j0hA:
20.83
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.
3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Shewanella
oneidensis) 		PF16113
(ECH_2) 		5 VAL A 131
SER A  73
GLY A  81
PHE A  78
GLY A  72
 None
 1.37A 4pevB-3ju1A:
3.6		 4pevB-3ju1A:
20.62
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.
3k4y ISOPENTENYL
PHOSPHATE KINASE

(Methanocaldococcus
jannaschii) 		PF00696
(AA_kinase) 		5 ASP A 180
VAL A 181
GLY A   9
GLY A 217
ASP A 160
 None
None
SO4  A 262 (-3.2A)
None
SO4  A 262 ( 4.4A)
 1.16A 4pevB-3k4yA:
4.9		 4pevB-3k4yA:
19.10
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.
3kl9 GLUTAMYL
AMINOPEPTIDASE

(Streptococcus
pneumoniae) 		PF05343
(Peptidase_M42) 		5 ASP A  42
SER A  65
ASN A 210
GLY A  45
GLY A 208
 None
 1.28A 4pevB-3kl9A:
3.2		 4pevB-3kl9A:
21.40
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.
3lad DIHYDROLIPOAMIDE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A  56
GLY A 172
ASP A 175
GLY A  52
LYS A  94
 FAD  A 480 (-3.3A)
None
None
FAD  A 480 (-3.3A)
None
 1.30A 4pevB-3ladA:
undetectable		 4pevB-3ladA:
22.72
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.
3lgs 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASES

(Arabidopsis
thaliana) 		PF01048
(PNP_UDP_1) 		5 ASP A 200
SER A 134
GLY A 203
GLY A 173
ASP A 135
 SAH  A 268 ( 4.9A)
None
None
None
None
 1.33A 4pevB-3lgsA:
5.4		 4pevB-3lgsA:
23.43
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.
3pnd THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE

(Salmonella
enterica) 		PF02424
(ApbE) 		5 VAL A 285
GLY A 265
ASP A 264
PHE A 333
GLY A 332
 None
 1.27A 4pevB-3pndA:
undetectable		 4pevB-3pndA:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13416
(SBP_bac_8) 		5 VAL A 140
GLY A 242
PHE A  44
GLY A 268
ASP A 136
 VAL  A 140 ( 0.6A)
GLY  A 242 ( 0.0A)
PHE  A  44 ( 1.3A)
GLY  A 268 ( 0.0A)
ASP  A 136 ( 0.6A)
 1.19A 4pevB-3pu5A:
3.1		 4pevB-3pu5A:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 VAL A 504
SER A 470
GLY A 310
ASP A 423
GLY A 466
 None
 1.20A 4pevB-3q9tA:
undetectable		 4pevB-3q9tA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u1k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL

(Homo sapiens) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 ASP A 497
VAL A 374
SER A 474
GLY A 382
PHE A 423
 None
 1.36A 4pevB-3u1kA:
undetectable		 4pevB-3u1kA:
23.16
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.
3uor ABC TRANSPORTER
SUGAR BINDING
PROTEIN

(Xanthomonas
citri) 		PF13416
(SBP_bac_8) 		5 VAL A 123
SER A 197
GLY A 300
ASP A 141
GLY A 296
 None
 1.31A 4pevB-3uorA:
2.5		 4pevB-3uorA:
22.51
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.
3zo0 E3 UBIQUITIN-PROTEIN
LIGASE TRIM21

(Mus musculus) 		PF00622
(SPRY)
PF13765
(PRY) 		5 VAL B 169
SER B 174
GLY B  34
ASP B  35
GLY B 176
 None
 1.21A 4pevB-3zo0B:
undetectable		 4pevB-3zo0B:
18.26
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.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 VAL A 294
GLY A  57
PHE A 343
GLY A 342
ASP A 330
 None
FAD  A 600 ( 3.8A)
MBT  A 601 (-4.7A)
None
None
 1.35A 4pevB-3zyxA:
2.5		 4pevB-3zyxA:
21.44
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.
4aib ORNITHINE
DECARBOXYLASE

(Entamoeba
histolytica) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ASP A  32
ASN A 359
GLY A  35
PHE A  54
GLY A 361
 None
 1.31A 4pevB-4aibA:
undetectable		 4pevB-4aibA:
21.48
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.
4amf PHOX

(Pseudomonas
fluorescens) 		PF05787
(DUF839) 		5 VAL A 390
ASN A 274
GLY A 480
ASP A 479
ASP A 292
 EDO  A1597 (-3.8A)
None
None
CA  A1592 (-2.1A)
FEO  A1595 ( 3.1A)
 1.35A 4pevB-4amfA:
undetectable		 4pevB-4amfA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 SER A1450
ASN A1449
GLY A1482
GLY A1464
ASP A1462
 None
 1.36A 4pevB-4aygA:
undetectable		 4pevB-4aygA:
17.48
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.
4cdb LISTERIOLYSIN O

(Listeria
monocytogenes) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		5 VAL A 138
SER A 404
ASN A 402
GLY A 222
GLY A  80
 None
None
NA  A1533 (-3.1A)
NA  A1533 (-3.4A)
None
 1.21A 4pevB-4cdbA:
undetectable		 4pevB-4cdbA:
22.67
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.
4d7u ENDOGLUCANASE II

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		5 VAL A  52
ASN A  10
GLY A  55
ASP A 135
GLY A  59
 None
 1.29A 4pevB-4d7uA:
undetectable		 4pevB-4d7uA:
19.72
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.
4e4u MANDALATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 103
VAL A  37
SER A 320
GLY A 365
GLY A 316
 None
 1.38A 4pevB-4e4uA:
undetectable		 4pevB-4e4uA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eiu UNCHARACTERIZED
HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF12866
(DUF3823) 		5 VAL A  47
PHE A 136
ASN A 261
GLY A  99
GLY A 161
 None
None
None
None
PEG  A 304 ( 4.5A)
 1.11A 4pevB-4eiuA:
undetectable		 4pevB-4eiuA:
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.
4glf RSFP

(uncultured
bacterium) 		PF01048
(PNP_UDP_1) 		5 ASP A 110
VAL A 220
ASN A 245
GLY A 163
ASP A 162
 None
 1.37A 4pevB-4glfA:
3.6		 4pevB-4glfA:
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.
4gq7 FLOCCULIN

(Saccharomyces
pastorianus) 		PF07691
(PA14) 		5 VAL A  41
SER A  97
PHE A 102
GLY A  71
GLY A 101
 None
 1.29A 4pevB-4gq7A:
undetectable		 4pevB-4gq7A:
20.33
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.
4gxp BETA-GLUCOSIDASE
CHIMERIC PROTEIN

(Thermotoga
maritima;
Trichoderma
reesei) 		PF00232
(Glyco_hydro_1) 		5 VAL A  21
SER A 452
ASP A 423
GLY A 453
ASP A 388
 None
 1.40A 4pevB-4gxpA:
undetectable		 4pevB-4gxpA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ASP A 524
SER A 520
ASN A 499
GLY A 418
GLY A 521
 None
 1.31A 4pevB-4h1sA:
undetectable		 4pevB-4h1sA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis vinifera) 		PF00701
(DHDPS) 		5 VAL A  66
SER A  95
PHE A  92
ASP A  50
GLY A  93
 None
 1.38A 4pevB-4hnnA:
undetectable		 4pevB-4hnnA:
22.51
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.
4inz SOLUBLE EPOXIDE
HYDROLASE

(Bacillus
megaterium) 		PF00561
(Abhydrolase_1) 		5 ASP A  32
SER A 266
GLY A  29
ASP A  97
ASP A 239
 None
None
None
PEG  A 302 ( 4.7A)
None
 1.34A 4pevB-4inzA:
4.6		 4pevB-4inzA:
21.02
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 ASP A 119
SER A  98
GLY A 124
PHE A 141
GLY A 315
 None
 1.41A 4pevB-4kpgA:
4.8		 4pevB-4kpgA:
21.35
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.
4ky0 PROTON/GLUTAMATE
SYMPORTER, SDF
FAMILY

(Thermococcus
kodakarensis) 		PF00375
(SDF) 		5 VAL A 416
SER A 303
PHE A 304
GLY A  84
GLY A 300
 None
 1.24A 4pevB-4ky0A:
undetectable		 4pevB-4ky0A:
22.04
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.
4lru GLYOXALASE III
(GLUTATHIONE-INDEPEN
DENT)

(Candida
albicans) 		PF01965
(DJ-1_PfpI) 		5 ASP A 204
ASN A 218
GLY A 201
PHE A 206
GLY A 216
 None
 0.97A 4pevB-4lruA:
3.4		 4pevB-4lruA:
21.09
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.
4lry PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
DIHYDROXYACETONE-BIN
DING SUBUNIT DHAK

(Escherichia
coli) 		PF02733
(Dak1) 		5 VAL A 282
GLY A 295
PHE A 228
PHE A 328
GLY A 327
 None
 1.21A 4pevB-4lryA:
2.8		 4pevB-4lryA:
20.09
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.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 ASP A 119
SER A  98
GLY A 124
PHE A 141
GLY A 315
 None
 1.39A 4pevB-4m1zA:
5.3		 4pevB-4m1zA:
21.71
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.
4mq0 PARKIA BIGLOBOSA
LECTIN (PBL)

(Parkia
biglobosa) 		PF01419
(Jacalin) 		5 ASP A  17
SER A  40
GLY A  16
ASP A 140
GLY A  56
 None
None
MMA  A 501 (-3.3A)
MMA  A 501 (-2.6A)
None
 1.37A 4pevB-4mq0A:
undetectable		 4pevB-4mq0A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mq0 PARKIA BIGLOBOSA
LECTIN (PBL)

(Parkia
biglobosa) 		PF01419
(Jacalin) 		5 ASP A 285
VAL A 240
GLY A 164
ASP A 165
PHE A 238
 MMA  A 503 (-3.0A)
None
MMA  A 503 (-3.8A)
MMA  A 503 (-2.6A)
MMA  A 503 ( 4.4A)
 1.41A 4pevB-4mq0A:
undetectable		 4pevB-4mq0A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mq0 PARKIA BIGLOBOSA
LECTIN (PBL)

(Parkia
biglobosa) 		PF01419
(Jacalin) 		5 ASP A 311
SER A 334
GLY A 310
ASP A 434
GLY A 350
 None
None
MMA  A 502 (-3.5A)
MMA  A 502 (-2.6A)
None
 1.34A 4pevB-4mq0A:
undetectable		 4pevB-4mq0A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o6m AF2299, A
CDP-ALCOHOL
PHOSPHOTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf) 		5 ASP A 302
SER A 160
ASN A 156
GLY A 149
GLY A 215
 None
None
None
None
CA  A 401 ( 4.7A)
 1.23A 4pevB-4o6mA:
undetectable		 4pevB-4o6mA:
20.88
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.
4q68 UNCHARACTERIZED
PROTEIN

(Bacteroides
uniformis) 		PF07313
(DUF1460) 		5 ASP A 197
VAL A 257
GLY A 196
ASP A 195
GLY A 189
 None
 1.09A 4pevB-4q68A:
undetectable		 4pevB-4q68A:
22.61
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.
4q6p CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF17033
(Peptidase_M99)
PF17129
(Peptidase_M99_C)
PF17130
(Peptidase_M99_m) 		5 VAL A  75
ASP A  48
PHE A  53
GLY A  52
ASP A 129
 None
 1.42A 4pevB-4q6pA:
2.5		 4pevB-4q6pA:
21.97
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.
4qt9 PUTATIVE
GLUCOAMYLASE

(Bacteroides
caccae) 		PF10091
(Glycoamylase) 		5 SER A 408
GLY A 352
ASP A 351
GLY A 365
ASP A 411
 None
 1.03A 4pevB-4qt9A:
undetectable		 4pevB-4qt9A:
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.
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis) 		PF13458
(Peripla_BP_6) 		5 VAL A 287
SER A 332
PHE A 331
GLY A 281
ASP A 280
 None
GOL  A 503 ( 3.9A)
PRO  A 501 (-4.3A)
PRO  A 501 ( 4.6A)
PRO  A 501 (-3.7A)
 1.20A 4pevB-4rdcA:
10.5		 4pevB-4rdcA:
24.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ASP A2055
GLY A2056
ASP A2057
GLY A1979
ASP A2098
 MG  A4404 (-3.5A)
None
None
None
None
 1.26A 4pevB-4rh7A:
undetectable		 4pevB-4rh7A:
8.36
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		5 SER A 622
PHE A 642
ASP A 538
GLY A 640
ASP A 623
 None
 1.34A 4pevB-4rkuA:
undetectable		 4pevB-4rkuA:
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.
4wjb PUTATIVE
AMIDOHYDROLASE/PEPTI
DASE

(Burkholderia
cenocepacia) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ASP A  64
VAL A 183
GLY A  67
PHE A 138
GLY A 157
 None
 1.35A 4pevB-4wjbA:
undetectable		 4pevB-4wjbA:
23.33
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.
4xee NEUROTENSIN RECEPTOR
TYPE 1, ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ASP A 216
SER A  53
GLY A 217
GLY A  50
ASP A  54
 None
None
None
None
PEG  A1205 ( 4.5A)
 1.36A 4pevB-4xeeA:
undetectable		 4pevB-4xeeA:
20.84
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.
4y9d C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 VAL A 142
SER A 158
GLY A  93
PHE A  97
GLY A 146
 None
None
NAI  A 401 ( 4.4A)
None
None
 1.43A 4pevB-4y9dA:
5.8		 4pevB-4y9dA:
25.59
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		5 ASP A  57
PHE A 123
GLY A 122
GLY A  41
ASP A  38
 None
 1.15A 4pevB-4zo3A:
undetectable		 4pevB-4zo3A:
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.
5anp BA41

(Bizionia
argentinensis) 		PF04536
(TPM_phosphatase) 		5 ASP A 147
ASP A 166
PHE A 151
GLY A 159
LYS A  65
 None
 1.23A 4pevB-5anpA:
undetectable		 4pevB-5anpA:
19.59
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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 5 VAL C 290
GLY C 265
ASP C 268
PHE C 262
GLY C 125
 None
 1.25A 4pevB-5cw2C:
5.0		 4pevB-5cw2C:
22.59
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.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 5 ASP A 286
ASN A 283
GLY A 304
GLY A 221
ASP A 224
 None
 1.32A 4pevB-5f75A:
undetectable		 4pevB-5f75A:
21.40
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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		5 ASP A  63
PHE A 114
GLY A 112
ASP A 118
LYS A  85
 None
 1.25A 4pevB-5f7uA:
undetectable		 4pevB-5f7uA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gmh TOLL-LIKE RECEPTOR 7

(Macaca mulatta) 		PF00560
(LRR_1)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 VAL A 381
GLY A 405
ASP A 403
PHE A 349
ASP A 346
 None
 1.37A 4pevB-5gmhA:
undetectable		 4pevB-5gmhA:
16.93
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.
5ha4 DIAMINOPIMELATE
EPIMERASE

(Acinetobacter
baumannii) 		PF01678
(DAP_epimerase) 		5 VAL A 243
GLY A 223
PHE A 125
GLY A 231
ASP A 154
 None
 1.39A 4pevB-5ha4A:
undetectable		 4pevB-5ha4A:
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.
5i5h INNER MEMBRANE
PROTEIN YEJM

(Escherichia
coli) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 VAL A 471
GLY A 269
ASP A 268
GLY A 305
ASP A 303
 None
 1.27A 4pevB-5i5hA:
undetectable		 4pevB-5i5hA:
22.95
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASP A1419
SER A1415
GLY A1395
PHE A  19
GLY A1413
 None
 1.34A 4pevB-5ip9A:
undetectable		 4pevB-5ip9A:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASP A1419
VAL A  17
SER A1415
GLY A1395
GLY A1413
 None
 0.99A 4pevB-5ip9A:
undetectable		 4pevB-5ip9A:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k3h ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 ASP A 616
VAL A 612
ASN A 311
GLY A 630
ASP A 622
 None
 1.43A 4pevB-5k3hA:
undetectable		 4pevB-5k3hA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA
METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT GAMMA

(Methanothermococcus
thermolithotrophicus) 		PF02240
(MCR_gamma)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 VAL C 238
SER B 289
PHE B 291
GLY B 343
GLY C  10
 None
 1.22A 4pevB-5n1qC:
undetectable		 4pevB-5n1qC:
21.48
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.
5oex -

(-) 		no annotation 5 ASP A 286
ASN A 283
GLY A 304
GLY A 221
ASP A 224
 None
 1.31A 4pevB-5oexA:
undetectable		 4pevB-5oexA:
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.
5te1 ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF16114
(Citrate_bind) 		5 ASP A 290
VAL A 287
PHE A 758
GLY A 746
GLY A 282
 None
None
None
None
PO4  A 902 (-3.6A)
 1.40A 4pevB-5te1A:
8.2		 4pevB-5te1A:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgz BETA-GLYCOSIDASE

(uncultured
microorganism) 		no annotation 5 VAL A  18
SER A 436
ASP A 407
GLY A 437
ASP A 373
 None
 1.39A 4pevB-5xgzA:
undetectable		 4pevB-5xgzA:
10.86
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.
5xru ADENYLATE KINASE

(Notothenia
coriiceps) 		no annotation 5 VAL A  67
SER A  38
GLY A  40
ASP A  93
LYS A  21
 AP5  A 201 (-4.0A)
AP5  A 201 ( 4.8A)
AP5  A 201 (-3.5A)
AP5  A 201 ( 4.7A)
AP5  A 201 (-2.8A)
 1.42A 4pevB-5xruA:
3.5		 4pevB-5xruA:
10.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ASP A 588
VAL A 594
GLY A 587
PHE A 555
PHE A 390
 None
 1.34A 4pevB-5xxoA:
4.0		 4pevB-5xxoA:
12.56
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.
6al7 12-EPI-HAPALINDOLE
C/U SYNTHASE

(Fischerella sp.
ATCC 43239) 		no annotation 5 ASN A 137
GLY A 140
PHE A 210
GLY A 212
ASP A 214
 CA  A 301 (-3.1A)
None
None
None
None
 1.10A 4pevB-6al7A:
undetectable		 4pevB-6al7A:
14.52
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 5 SER A 562
GLY A 331
ASP A 326
PHE A 755
GLY A 745
 None
 1.33A 4pevB-6b6lA:
undetectable		 4pevB-6b6lA:
21.18
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.
6fpe TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE

(Thermotoga
maritima) 		no annotation 5 VAL B 167
SER B 159
PHE B 209
PHE B 164
GLY B 161
 None
None
None
PEG  B 402 ( 4.8A)
PEG  B 402 ( 3.8A)
 1.42A 4pevB-6fpeB:
undetectable		 4pevB-6fpeB:
11.33
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.
6gup -

(-) 		no annotation 5 SER A 125
GLY A  47
ASP A  46
PHE A  40
GLY A 120
 None
 1.14A 4pevB-6gupA:
5.9		 4pevB-6gupA:
undetectable