SIMILAR PATTERNS OF AMINO ACIDS FOR 2ZTH_A_SAMA305

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.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE

(Arthrobacter
sp. 1C) 		PF02317
(Octopine_DH)
PF02558
(ApbA) 		5 VAL A  30
GLY A  16
TYR A   7
SER A 144
HIS A  17
 None
 1.43A 2zthA-1bg6A:
5.9		 2zthA-1bg6A:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		5 VAL A 116
GLY A 152
TYR A 105
SER A 174
GLN A  80
 None
 1.50A 2zthA-1cu1A:
3.8		 2zthA-1cu1A:
16.17
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.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		5 VAL A 290
GLY A 146
MET A 111
TYR A 143
GLN A  71
 None
 1.42A 2zthA-1jmyA:
2.7		 2zthA-1jmyA:
19.52
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.
1kv9 TYPE II
QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 GLY A  22
MET A 235
TYR A  25
HIS A  21
ARG A 111
 None
None
None
None
PQQ  A 801 (-3.3A)
 1.35A 2zthA-1kv9A:
undetectable		 2zthA-1kv9A:
17.46
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.
1ldk CULLIN HOMOLOG

(Homo sapiens) 		PF00888
(Cullin) 		5 VAL A 132
TYR A  46
TYR A  42
ASN A  51
ARG A  91
 None
 1.34A 2zthA-1ldkA:
undetectable		 2zthA-1ldkA:
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.
2eer NAD-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 130
GLY A 119
TYR A 122
SER A  40
HIS A  68
 None
None
None
NAD  A 401 (-2.9A)
None
 1.31A 2zthA-2eerA:
8.3		 2zthA-2eerA:
21.84
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.
2pkp HOMOACONITASE SMALL
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00694
(Aconitase_C) 		5 VAL A  82
GLY A  62
TYR A  92
SER A  65
ARG A  67
 None
 1.42A 2zthA-2pkpA:
2.2		 2zthA-2pkpA:
23.21
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.
2xlr FLAVIN-CONTAINING
MONOOXYGENASE

(Methylophaga
aminisulfidivorans) 		PF00743
(FMO-like) 		5 VAL A 121
GLY A  19
TYR A 124
GLN A 323
TRP A  52
 None
None
None
FAD  A 500 ( 3.2A)
FAD  A 500 (-4.2A)
 1.17A 2zthA-2xlrA:
3.0		 2zthA-2xlrA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yvu PROBABLE
ADENYLYL-SULFATE
KINASE

(Aeropyrum
pernix) 		PF01583
(APS_kinase) 		5 VAL A 181
TYR A 176
TYR A 178
ASN A 168
SER A  24
 None
 1.46A 2zthA-2yvuA:
undetectable		 2zthA-2yvuA:
23.39
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.
3bo6 HYDROPHILIC PROTEIN,
VIRA PROTEIN

(Chromobacterium
violaceum) 		PF03536
(VRP3) 		5 VAL A 114
TYR A 209
SER A 200
HIS A 106
ARG A 213
 None
None
SO4  A   1 ( 4.5A)
SO4  A   1 (-3.9A)
SO4  A   1 (-3.8A)
 1.27A 2zthA-3bo6A:
undetectable		 2zthA-3bo6A:
23.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 GLY A  66
TYR A  68
SER A 119
HIS A 142
ARG A 146
 SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
SAM  A 301 (-3.1A)
SAM  A 301 ( 4.9A)
None
 1.13A 2zthA-3bwmA:
35.9		 2zthA-3bwmA:
80.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		9 VAL A  42
GLY A  66
TYR A  68
TYR A  71
ASN A  92
SER A 119
GLN A 120
HIS A 142
ARG A 146
 SAM  A 301 ( 3.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
None
 0.56A 2zthA-3bwmA:
35.9		 2zthA-3bwmA:
80.18
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.
3fdd L-ASPARTATE-BETA-DEC
ARBOXYLASE

(Comamonas
testosteroni) 		PF00155
(Aminotran_1_2) 		5 VAL A 197
GLY A 200
TYR A 207
ASN A 256
GLN A 232
 None
None
PLP  A 534 (-4.9A)
PLP  A 534 (-3.8A)
None
 1.48A 2zthA-3fddA:
4.2		 2zthA-3fddA:
16.70
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.
3fvr ACETYL XYLAN
ESTERASE

(Bacillus
pumilus) 		PF05448
(AXE1) 		5 GLY A 152
TYR A 148
TYR A 247
TYR A 150
SER A  67
 None
 1.50A 2zthA-3fvrA:
2.6		 2zthA-3fvrA:
18.27
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		5 VAL W 811
TYR W1019
TYR W 938
SER W 987
HIS W 989
 None
 1.24A 2zthA-3iylW:
7.1		 2zthA-3iylW:
11.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 VAL A  55
GLY A  79
TYR A  84
ASN A 104
GLN A 154
 SO4  A 233 (-4.2A)
None
SO4  A 233 (-4.9A)
None
None
 1.23A 2zthA-3ntvA:
14.6		 2zthA-3ntvA:
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.
3o21 GLUTAMATE RECEPTOR 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 VAL A  27
GLY A   9
TYR A  71
SER A  64
HIS A  46
 None
 0.96A 2zthA-3o21A:
6.0		 2zthA-3o21A:
21.04
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.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		5 VAL A  51
GLY A  75
TYR A  87
TYR A 108
SER A  71
 None
 1.35A 2zthA-3x43A:
4.7		 2zthA-3x43A:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b0n POLYKETIDE SYNTHASE
III

(Ectocarpus
siliculosus) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 246
TYR A  92
TYR A  55
TYR A 362
SER A 367
 None
 1.49A 2zthA-4b0nA:
undetectable		 2zthA-4b0nA:
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.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		5 VAL A 174
GLY A 146
TYR A 163
TYR A 299
GLN A 108
 None
 1.47A 2zthA-4be3A:
undetectable		 2zthA-4be3A:
20.73
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.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		5 VAL A 174
GLY A 146
TYR A 163
TYR A 299
GLN A 292
 None
 1.17A 2zthA-4be3A:
undetectable		 2zthA-4be3A:
20.73
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.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A 283
GLY A 254
TYR A 284
SER A 259
ARG A 609
 None
 1.34A 2zthA-4c2tA:
undetectable		 2zthA-4c2tA:
14.73
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.
4eyg TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 VAL A  72
GLY A 309
TYR A  57
SER A 144
ARG A 142
 None
 1.22A 2zthA-4eygA:
4.4		 2zthA-4eygA:
23.85
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.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 VAL A  54
GLY A  79
TYR A  91
TYR A 112
SER A  75
 None
None
None
None
CYS  A 401 ( 2.6A)
 1.23A 2zthA-4lmbA:
3.5		 2zthA-4lmbA:
22.32
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.
4oqs CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 VAL A 282
GLY A 241
SER A 155
GLN A 173
HIS A 242
 HEM  A 501 ( 4.8A)
HEM  A 501 (-3.2A)
None
None
None
 1.47A 2zthA-4oqsA:
undetectable		 2zthA-4oqsA:
21.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		8 GLY A 109
TYR A 114
ASN A 135
TYR A 138
SER A 162
GLN A 163
HIS A 185
ARG A 189
 2F6  A 301 (-3.6A)
None
None
None
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
None
 0.52A 2zthA-4p58A:
34.1		 2zthA-4p58A:
97.64
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.
4pp1 LIGHT CHAIN OF FAB
FRAGMENT OF MAB 5H8
HEAVY CHAIN OF FAB
FRAGMENT OF MAB 5H8

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 GLY C  91
TYR D 104
ASN C  31
TYR C  50
GLN C  27
 None
 1.15A 2zthA-4pp1C:
undetectable		 2zthA-4pp1C:
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.
4wwy TRYPSIN-1

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A  56
TYR A 234
SER A 195
HIS A  57
TRP A 215
 None
 1.06A 2zthA-4wwyA:
undetectable		 2zthA-4wwyA:
20.73
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.
4zo6 LIN1840 PROTEIN

(Listeria
innocua) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 VAL A 714
TYR A 645
ASN A 566
TYR A 565
SER A 654
 None
None
GOL  A 804 (-4.6A)
None
None
 1.49A 2zthA-4zo6A:
undetectable		 2zthA-4zo6A:
15.40
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 GLY A1054
TYR A1167
ASN A1074
SER A1399
GLN A1400
 None
 1.45A 2zthA-5gzuA:
undetectable		 2zthA-5gzuA:
12.97
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.
5h1y PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX41

(Homo sapiens) 		PF00270
(DEAD) 		5 VAL A 239
TYR A 280
TYR A 279
HIS A 274
ARG A 271
 None
 1.50A 2zthA-5h1yA:
5.0		 2zthA-5h1yA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idi 1,4-BETA-D-GLUCAN
GLUCOHYDROLASE

(Thermotoga
neapolitana) 		PF00232
(Glyco_hydro_1) 		5 VAL A 262
TYR A 269
TYR A 186
HIS A 193
ARG A 135
 None
 1.48A 2zthA-5idiA:
undetectable		 2zthA-5idiA:
19.76
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.
5jia RAN-BINDING PROTEIN
10

(Mus musculus) 		PF00622
(SPRY) 		5 GLY A  67
SER A  69
GLN A  70
HIS A  76
ARG A  74
 None
 1.33A 2zthA-5jiaA:
undetectable		 2zthA-5jiaA:
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.
5upb ACETOACETATE
DECARBOXYLASE

(Sphingomonas
wittichii) 		PF06314
(ADC) 		5 GLY A 183
TYR A  99
ASN A 118
SER A 198
HIS A 184
 None
 1.31A 2zthA-5upbA:
undetectable		 2zthA-5upbA:
19.32
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.
5x6s ACETYLXYLAN ESTERASE
A

(Aspergillus
awamori) 		PF10503
(Esterase_phd) 		5 GLY A 144
TYR A 142
TYR A  39
TYR A 197
TRP A 217
 None
 1.43A 2zthA-5x6sA:
3.3		 2zthA-5x6sA:
21.74
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.
1bl5 ISOCITRATE
DEHYDROGENASE

(Escherichia
coli) 		PF00180
(Iso_dh) 		3 SER A 310
GLU A 336
ASP A 307
 None
AKG  A   1 ( 4.6A)
MG  A 418 (-3.1A)
 0.71A 2zthA-1bl5A:
2.6		 2zthA-1bl5A:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i8d RIBOFLAVIN SYNTHASE

(Escherichia
coli) 		PF00677
(Lum_binding) 		3 SER A  14
GLU A  53
ASP A  16
 None
 0.69A 2zthA-1i8dA:
undetectable		 2zthA-1i8dA:
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.
1jpu GLYCEROL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00465
(Fe-ADH) 		3 SER A 243
GLU A 180
ASP A 173
 None
None
ZN  A 371 (-2.1A)
 0.76A 2zthA-1jpuA:
4.0		 2zthA-1jpuA:
19.83
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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		3 SER A 239
GLU A 176
ASP A 169
 CL  A 501 (-3.6A)
None
ZN  A 401 (-2.4A)
 0.66A 2zthA-1kq3A:
undetectable		 2zthA-1kq3A:
20.16
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.
1lvg GUANYLATE KINASE

(Mus musculus) 		PF00625
(Guanylate_kin) 		3 SER A  10
GLU A 157
ASP A 103
 None
None
5GP  A1202 (-3.8A)
 0.79A 2zthA-1lvgA:
undetectable		 2zthA-1lvgA:
23.55
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.
1lwd ISOCITRATE
DEHYDROGENASE

(Sus scrofa) 		PF00180
(Iso_dh) 		3 SER A 278
GLU A 306
ASP A 275
 None
ICT  A 701 ( 4.2A)
MN  A 501 (-2.8A)
 0.61A 2zthA-1lwdA:
2.6		 2zthA-1lwdA:
22.87
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.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE ALPHA
SUBUNIT

(Klebsiella
pneumoniae) 		PF08841
(DDR) 		3 SER A 543
GLU A 429
ASP A 550
 None
 0.78A 2zthA-1nbwA:
3.6		 2zthA-1nbwA:
16.50
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.
1r03 MITOCHONDRIAL
FERRITIN

(Homo sapiens) 		PF00210
(Ferritin) 		3 SER A  36
GLU A  89
ASP A  91
 None
 0.78A 2zthA-1r03A:
undetectable		 2zthA-1r03A:
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.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		3 SER A1412
GLU A1136
ASP A 918
 None
 0.58A 2zthA-1tllA:
6.3		 2zthA-1tllA:
15.41
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.
1tvc METHANE
MONOOXYGENASE
COMPONENT C

(Methylococcus
capsulatus) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		3 SER A 248
GLU A 160
ASP A 189
 None
FDA  A 252 (-3.2A)
FDA  A 252 ( 4.2A)
 0.81A 2zthA-1tvcA:
4.9		 2zthA-1tvcA:
22.30
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.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		3 SER A 340
GLU A 273
ASP A 181
 None
 0.82A 2zthA-1u2zA:
9.8		 2zthA-1u2zA:
18.31
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		3 SER A 327
GLU A 266
ASP A 283
 None
 0.85A 2zthA-1ua7A:
undetectable		 2zthA-1ua7A:
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.
1vlu GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		3 SER A   2
GLU A 197
ASP A 191
 None
 0.85A 2zthA-1vluA:
6.1		 2zthA-1vluA:
19.91
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.
1xkn PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE

(Chlorobaculum
tepidum) 		PF04371
(PAD_porph) 		3 SER A  48
GLU A  81
ASP A  74
 None
 0.81A 2zthA-1xknA:
4.3		 2zthA-1xknA:
22.19
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.
2a3n PUTATIVE
GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF01380
(SIS) 		3 SER A  98
GLU A 105
ASP A 102
 None
 0.73A 2zthA-2a3nA:
2.5		 2zthA-2a3nA:
23.12
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.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		3 SER A 116
GLU A 134
ASP A 185
 SAM  A 501 (-3.0A)
SAM  A 501 (-2.9A)
SAM  A 501 (-3.4A)
 0.24A 2zthA-2avdA:
20.4		 2zthA-2avdA:
23.27
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		3 SER A 797
GLU A 767
ASP A 597
 None
 0.79A 2zthA-2b39A:
undetectable		 2zthA-2b39A:
9.95
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.
2b5d ALPHA-AMYLASE

(Thermotoga
maritima) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		3 SER X  67
GLU X  27
ASP X  69
 None
 0.86A 2zthA-2b5dX:
undetectable		 2zthA-2b5dX:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b7l GLYCEROL-3-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Staphylococcus
aureus) 		PF01467
(CTP_transf_like) 		3 SER A  48
GLU A  39
ASP A  51
 None
 0.85A 2zthA-2b7lA:
3.5		 2zthA-2b7lA:
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.
2bs9 BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF01229
(Glyco_hydro_39) 		3 SER A 343
GLU A  44
ASP A  37
 None
 0.82A 2zthA-2bs9A:
undetectable		 2zthA-2bs9A:
18.31
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.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 SER A 256
GLU A 427
ASP A 237
 None
None
LFR  A1481 (-3.0A)
 0.83A 2zthA-2cgjA:
undetectable		 2zthA-2cgjA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d1c ISOCITRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		3 SER A 251
GLU A 277
ASP A 248
 None
NAP  A1002 (-3.5A)
CIT  A1585 (-3.2A)
 0.84A 2zthA-2d1cA:
2.4		 2zthA-2d1cA:
18.50
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.
2dw6 BLL6730 PROTEIN

(Bradyrhizobium
japonicum) 		PF13378
(MR_MLE_C) 		3 SER A 328
GLU A 341
ASP A 292
 None
TAR  A1001 (-2.8A)
None
 0.84A 2zthA-2dw6A:
undetectable		 2zthA-2dw6A:
21.96
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		3 SER A   2
GLU A 371
ASP A 345
 None
 0.79A 2zthA-2gahA:
2.1		 2zthA-2gahA:
12.23
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.
2lle CHEMOTAXIS PROTEIN
CHEY, IMIDAZOLE
GLYCEROL PHOSPHATE
SYNTHASE SUBUNIT
HISF CHIMERA

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00977
(His_biosynth) 		3 SER A 151
GLU A 164
ASP A 153
 None
 0.79A 2zthA-2lleA:
3.3		 2zthA-2lleA:
25.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o2v DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 5
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 3

(Homo sapiens;
Homo sapiens) 		PF00564
(PB1)
PF00564
(PB1) 		3 SER B 115
GLU B  50
ASP A  66
 None
 0.77A 2zthA-2o2vB:
undetectable		 2zthA-2o2vB:
16.82
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.
2o56 PUTATIVE MANDELATE
RACEMASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 SER A 328
GLU A 346
ASP A 294
 None
 0.82A 2zthA-2o56A:
undetectable		 2zthA-2o56A:
18.64
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.
2ojh UNCHARACTERIZED
PROTEIN
ATU1656/AGR_C_3050

(Agrobacterium
fabrum) 		PF07676
(PD40) 		3 SER A 274
GLU A  43
ASP A  87
 None
 0.82A 2zthA-2ojhA:
undetectable		 2zthA-2ojhA:
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.
2oo3 PROTEIN INVOLVED IN
CATABOLISM OF
EXTERNAL DNA

(Legionella
pneumophila) 		PF04378
(RsmJ) 		3 SER A 101
GLU A 119
ASP A 165
 None
 0.35A 2zthA-2oo3A:
12.6		 2zthA-2oo3A:
23.32
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.
2qa1 POLYKETIDE OXYGENASE
PGAE

(Streptomyces
sp. PGA64) 		PF01494
(FAD_binding_3) 		3 SER A 291
GLU A 100
ASP A 275
 FAD  A 500 (-3.6A)
None
FAD  A 500 ( 2.9A)
 0.85A 2zthA-2qa1A:
2.8		 2zthA-2qa1A:
19.88
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.
2qa2 POLYKETIDE OXYGENASE
CABE

(Streptomyces) 		PF01494
(FAD_binding_3) 		3 SER A 291
GLU A 100
ASP A 275
 FAD  A 500 ( 3.8A)
FAD  A 500 ( 4.9A)
FAD  A 500 (-3.1A)
 0.66A 2zthA-2qa2A:
2.8		 2zthA-2qa2A:
20.65
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.
2qm8 GTPASE/ATPASE

(Methylobacterium
extorquens) 		PF03308
(ArgK) 		3 SER A 161
GLU A 154
ASP A  92
 None
 0.85A 2zthA-2qm8A:
2.1		 2zthA-2qm8A:
21.24
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.
2ral SERINE-ASPARTATE
REPEAT-CONTAINING
PROTEIN G

(Staphylococcus
epidermidis) 		PF10425
(SdrG_C_C) 		3 SER A 535
GLU A 510
ASP A 493
 None
 0.86A 2zthA-2ralA:
undetectable		 2zthA-2ralA:
19.40
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.
2wnp FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		3 SER F 100
GLU F 291
ASP F 120
 None
 0.76A 2zthA-2wnpF:
undetectable		 2zthA-2wnpF:
19.03
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		3 SER A 723
GLU A 667
ASP A 398
 None
 0.84A 2zthA-2yd0A:
undetectable		 2zthA-2yd0A:
13.48
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.
2zii VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 74

(Saccharomyces
cerevisiae) 		PF05719
(GPP34) 		3 SER A 282
GLU A 266
ASP A 278
 None
 0.84A 2zthA-2ziiA:
undetectable		 2zthA-2ziiA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a45 FORMAMIDOPYRIMIDINE-
DNA GLYCOSYLASE

(Acanthamoeba
polyphaga
mimivirus) 		PF01149
(Fapy_DNA_glyco)
PF06831
(H2TH) 		3 SER A 101
GLU A  92
ASP A  27
 None
 0.74A 2zthA-3a45A:
undetectable		 2zthA-3a45A:
19.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		3 SER A  72
GLU A  90
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.27A 2zthA-3bwmA:
35.9		 2zthA-3bwmA:
80.18
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.
3cvo METHYLTRANSFERASE-LI
KE PROTEIN OF
UNKNOWN FUNCTION

(Ruegeria
pomeroyi) 		no annotation 3 SER A  41
GLU A  57
ASP A 128
 None
 0.34A 2zthA-3cvoA:
14.7		 2zthA-3cvoA:
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.
3d45 POLY(A)-SPECIFIC
RIBONUCLEASE PARN

(Mus musculus) 		PF01424
(R3H)
PF04857
(CAF1)
PF08675
(RNA_bind) 		3 SER A 385
GLU A 345
ASP A 349
 None
 0.83A 2zthA-3d45A:
undetectable		 2zthA-3d45A:
17.36
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.
3e0j DNA POLYMERASE
SUBUNIT DELTA-2

(Homo sapiens) 		PF04042
(DNA_pol_E_B) 		3 SER A 234
GLU A   4
ASP A 193
 None
 0.85A 2zthA-3e0jA:
undetectable		 2zthA-3e0jA:
20.05
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.
3egc PUTATIVE RIBOSE
OPERON REPRESSOR

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		3 SER A 279
GLU A 258
ASP A 281
 None
 0.75A 2zthA-3egcA:
4.8		 2zthA-3egcA:
20.27
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.
3h2x TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 22

(Homo sapiens) 		PF00102
(Y_phosphatase) 		3 SER A 201
GLU A 280
ASP A 197
 None
 0.76A 2zthA-3h2xA:
undetectable		 2zthA-3h2xA:
22.78
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		3 SER A 211
GLU A 289
ASP A 284
 None
 0.68A 2zthA-3iv0A:
undetectable		 2zthA-3iv0A:
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.
3ldt OUTER MEMBRANE
PROTEIN, OMPA FAMILY
PROTEIN

(Legionella
pneumophila) 		PF00691
(OmpA) 		3 SER A 182
GLU A 230
ASP A 170
 None
 0.81A 2zthA-3ldtA:
undetectable		 2zthA-3ldtA:
20.27
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.
3le1 PHOSPHOTRANSFERASE
SYSTEM, HPR-RELATED
PROTEINS

(Caldanaerobacter
subterraneus) 		PF00381
(PTS-HPr) 		3 SER A  31
GLU A  72
ASP A  68
 None
 0.71A 2zthA-3le1A:
undetectable		 2zthA-3le1A:
16.83
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.
3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA

(Allochromatium
vinosum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		3 SER A 204
GLU A 208
ASP A 206
 None
 0.82A 2zthA-3myrA:
2.0		 2zthA-3myrA:
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.
3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum) 		PF00374
(NiFeSe_Hases) 		3 SER B1385
GLU B1527
ASP B1518
 None
 0.77A 2zthA-3myrB:
undetectable		 2zthA-3myrB:
17.09
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.
3oa2 WBPB

(Pseudomonas
aeruginosa) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 SER A 178
GLU A 210
ASP A 174
 None
 0.80A 2zthA-3oa2A:
2.3		 2zthA-3oa2A:
22.33
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		3 SER A 270
GLU A 334
ASP A 265
 None
 0.60A 2zthA-3pgbA:
undetectable		 2zthA-3pgbA:
14.59
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.
3qml NUCLEOTIDE EXCHANGE
FACTOR SIL1

(Saccharomyces
cerevisiae) 		PF16782
(SIL1) 		3 SER C 139
GLU C 132
ASP C 147
 None
 0.80A 2zthA-3qmlC:
undetectable		 2zthA-3qmlC:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qo7 SERYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Candida
albicans) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		3 SER A 341
GLU A 114
ASP A 118
 None
 0.80A 2zthA-3qo7A:
undetectable		 2zthA-3qo7A:
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		3 SER A 186
GLU A 244
ASP A 183
 None
 0.77A 2zthA-3sutA:
undetectable		 2zthA-3sutA:
17.41
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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		3 SER A 265
GLU A 200
ASP A 193
 None
None
ZN  A 388 (-2.2A)
 0.80A 2zthA-3uhjA:
undetectable		 2zthA-3uhjA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3us8 ISOCITRATE
DEHYDROGENASE [NADP]

(Sinorhizobium
meliloti) 		PF00180
(Iso_dh) 		3 SER A 276
GLU A 304
ASP A 273
 None
 0.73A 2zthA-3us8A:
2.5		 2zthA-3us8A:
20.71
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.
3w5f BETA-GALACTOSIDASE

(Solanum
lycopersicum) 		PF01301
(Glyco_hydro_35) 		3 SER A 542
GLU A 456
ASP A 463
 None
 0.84A 2zthA-3w5fA:
2.6		 2zthA-3w5fA:
17.75
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.
3x1l CMR4

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		3 SER C  15
GLU C 260
ASP C 288
 None
 0.83A 2zthA-3x1lC:
undetectable		 2zthA-3x1lC:
22.19
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.
4a0l CULLIN-4B

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		3 SER E 282
GLU E 355
ASP E 348
 None
 0.83A 2zthA-4a0lE:
undetectable		 2zthA-4a0lE:
14.44
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.
4ag4 EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		3 SER A  54
GLU A 113
ASP A  70
 None
 0.67A 2zthA-4ag4A:
undetectable		 2zthA-4ag4A:
19.08
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.
4aov ISOCITRATE
DEHYDROGENASE [NADP]

(Desulfotalea
psychrophila) 		PF00180
(Iso_dh) 		3 SER A 275
GLU A 302
ASP A 272
 None
ICT  A1404 ( 4.3A)
MG  A1405 ( 2.8A)
 0.68A 2zthA-4aovA:
2.3		 2zthA-4aovA:
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.
4bl3 PENICILLIN BINDING
PROTEIN 2 PRIME

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		3 SER A 476
GLU A 523
ASP A 509
 None
 0.80A 2zthA-4bl3A:
undetectable		 2zthA-4bl3A:
17.07
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.
4blu RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Escherichia
coli) 		PF04378
(RsmJ) 		3 SER A 100
GLU A 118
ASP A 164
 None
None
TRS  A1281 ( 3.0A)
 0.70A 2zthA-4bluA:
12.5		 2zthA-4bluA:
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.
4ds2 UBIQUITIN-CONJUGATIN
G ENZYME E2,
PUTATIVE

(Trypanosoma
cruzi) 		PF00179
(UQ_con) 		3 SER A 117
GLU A  18
ASP A  12
 None
 0.78A 2zthA-4ds2A:
undetectable		 2zthA-4ds2A:
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.
4dx3 MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 SER A 329
GLU A 343
ASP A 291
 None
SNN  A 319 ( 3.8A)
None
 0.82A 2zthA-4dx3A:
undetectable		 2zthA-4dx3A:
22.03
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.
4eys MCCC FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF02016
(Peptidase_S66) 		3 SER A 212
GLU A 252
ASP A 110
 ACT  A 402 (-3.2A)
AMP  A 401 (-3.1A)
ACT  A 402 (-4.9A)
 0.85A 2zthA-4eysA:
undetectable		 2zthA-4eysA:
20.46
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.
4h0p ACETATE KINASE

(Cryptococcus
neoformans) 		PF00871
(Acetate_kinase) 		3 SER A 198
GLU A 364
ASP A 415
 None
 0.78A 2zthA-4h0pA:
undetectable		 2zthA-4h0pA:
20.42
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.
4hum PROTEIN B

(Escherichia
coli) 		PF00041
(fn3) 		3 SER B  55
GLU B   9
ASP B  23
 None
 0.70A 2zthA-4humB:
undetectable		 2zthA-4humB:
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.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 SER A 272
GLU A 352
ASP A 250
 None
FMT  A 503 (-3.2A)
MG  A 501 ( 4.8A)
 0.84A 2zthA-4ihcA:
2.3		 2zthA-4ihcA:
21.85
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.
4j0k TANNASE

(Lactobacillus
plantarum) 		no annotation 3 SER A 163
GLU A 357
ASP A 421
 EGR  A 501 (-2.6A)
EGR  A 501 (-2.9A)
EGR  A 501 (-3.5A)
 0.69A 2zthA-4j0kA:
2.4		 2zthA-4j0kA:
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.
4je5 AROMATIC/AMINOADIPAT
E AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		3 SER A 169
GLU A 162
ASP A 248
 None
None
PLP  A 601 (-2.8A)
 0.70A 2zthA-4je5A:
5.3		 2zthA-4je5A:
19.74
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.
4kem MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azospirillum
lipoferum) 		PF13378
(MR_MLE_C) 		3 SER A 327
GLU A 340
ASP A 291
 None
AKR  A 405 (-2.7A)
None
 0.81A 2zthA-4kemA:
3.1		 2zthA-4kemA:
21.24
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.
4n4r LPS-ASSEMBLY PROTEIN
LPTD

(Salmonella
enterica) 		PF04453
(OstA_C) 		3 SER A 692
GLU A 773
ASP A 651
 None
 0.43A 2zthA-4n4rA:
undetectable		 2zthA-4n4rA:
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.
4nwy PROTEIN
DISULFIDE-ISOMERASE-
LIKE PROTEIN OF THE
TESTIS

(Homo sapiens) 		PF13848
(Thioredoxin_6) 		3 SER A 351
GLU A 357
ASP A 353
 None
 0.76A 2zthA-4nwyA:
undetectable		 2zthA-4nwyA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oh1 L-IDITOL
2-DEHYDROGENASE

([Clostridium]
scindens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 SER A 224
GLU A 246
ASP A 204
 None
 0.79A 2zthA-4oh1A:
4.3		 2zthA-4oh1A:
19.67
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.
4p47 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ochrobactrum
anthropi) 		PF03480
(DctP) 		3 SER A 177
GLU A 212
ASP A 109
 None
 0.72A 2zthA-4p47A:
undetectable		 2zthA-4p47A:
22.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		3 SER A 115
GLU A 133
ASP A 184
 None
2F6  A 301 (-2.7A)
None
 0.69A 2zthA-4p58A:
34.1		 2zthA-4p58A:
97.64
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		3 SER A  70
GLU A  88
ASP A 136
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.6A)
MN  A 303 ( 2.7A)
 0.24A 2zthA-4pclA:
23.1		 2zthA-4pclA:
25.86
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.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 3 SER A 569
GLU A 704
ASP A 669
 None
 0.84A 2zthA-4qnlA:
2.2		 2zthA-4qnlA:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uek GALACTITOL-1-PHOSPHA
TE 5-DEHYDROGENASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 SER A 212
GLU A 235
ASP A 192
 None
 0.80A 2zthA-4uekA:
7.5		 2zthA-4uekA:
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.
4xeq TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
vulgaris) 		PF03480
(DctP) 		3 SER A 185
GLU A 219
ASP A 117
 None
 0.69A 2zthA-4xeqA:
undetectable		 2zthA-4xeqA:
19.65
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.
4xk8 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pisum sativum) 		PF02605
(PsaL) 		3 SER L 109
GLU L 122
ASP L 124
 None
 0.85A 2zthA-4xk8L:
undetectable		 2zthA-4xk8L:
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.
4y1p 3-ISOPROPYLMALATE
DEHYDROGENASE

(Sulfolobus
acidocaldarius) 		PF00180
(Iso_dh) 		3 SER A 228
GLU A 254
ASP A 225
 None
IPM  A 402 ( 4.5A)
MG  A 401 ( 2.7A)
 0.63A 2zthA-4y1pA:
undetectable		 2zthA-4y1pA:
23.75
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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		3 SER A 320
GLU A 556
ASP A 411
 ADP  A 701 ( 2.4A)
None
MG  A 702 ( 4.2A)
 0.73A 2zthA-4yj1A:
undetectable		 2zthA-4yj1A:
18.35
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		3 SER A  79
GLU A  98
ASP A 144
 SAM  A1001 (-2.7A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.6A)
 0.20A 2zthA-4ymgA:
20.5		 2zthA-4ymgA:
25.10
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.
4zht BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF02350
(Epimerase_2) 		3 SER A 229
GLU A  81
ASP A 225
 None
 0.85A 2zthA-4zhtA:
2.4		 2zthA-4zhtA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aff SYMPORTIN 1
RIBOSOMAL PROTEIN
L11

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		no annotation
PF00281
(Ribosomal_L5)
PF00673
(Ribosomal_L5_C) 		3 SER C  23
GLU A 395
ASP A 405
 None
 0.79A 2zthA-5affC:
undetectable		 2zthA-5affC:
22.03
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.
5aoy ENDONUCLEASE V

(Mus musculus) 		PF04493
(Endonuclease_5) 		3 SER A 243
GLU A 100
ASP A 126
 None
 0.80A 2zthA-5aoyA:
undetectable		 2zthA-5aoyA:
25.94
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.
5gt5 PECTATE LYASE

(Paenibacillus
sp. 0602) 		no annotation 3 SER A 122
GLU A 157
ASP A  97
 None
 0.84A 2zthA-5gt5A:
undetectable		 2zthA-5gt5A:
18.18
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.
5hn4 HOMOISOCITRATE
DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00180
(Iso_dh) 		3 SER A 221
GLU A 247
ASP A 218
 None
48Y  A 401 ( 4.6A)
MN  A 402 ( 2.5A)
 0.61A 2zthA-5hn4A:
2.5		 2zthA-5hn4A:
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		3 SER A 662
GLU A 708
ASP A 640
 None
 0.86A 2zthA-5j44A:
undetectable		 2zthA-5j44A:
12.26
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 3 SER B  63
GLU B  84
ASP B 837
 None
 0.83A 2zthA-5my0B:
2.0		 2zthA-5my0B:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		3 SER A  71
GLU A  89
ASP A 139
 SAM  A 306 (-2.2A)
SAM  A 306 (-2.4A)
SAM  A 306 (-2.3A)
 0.25A 2zthA-5n5dA:
17.7		 2zthA-5n5dA:
29.11
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		3 SER A4045
GLU A4206
ASP A4050
 None
 0.84A 2zthA-5nugA:
undetectable		 2zthA-5nugA:
4.42
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.
5v4n ALPHA3(135-145)-HLA-
DRB1*01:01

(Homo sapiens) 		PF00969
(MHC_II_beta)
PF07654
(C1-set) 		3 SER C 286
GLU C 277
ASP C 306
 None
 0.74A 2zthA-5v4nC:
undetectable		 2zthA-5v4nC:
20.25
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.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		3 SER A 241
GLU A 178
ASP A 171
 None
None
ZN  A 401 (-2.3A)
 0.74A 2zthA-5xn8A:
3.9		 2zthA-5xn8A:
19.78
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.
5xwy A TYPE VI-A
CRISPR-CAS
RNA-GUIDED RNA
RIBONUCLEASE, CAS13A

(Leptotrichia
buccalis) 		no annotation 3 SER A 265
GLU A 297
ASP A 236
 None
A  B  12 ( 2.6A)
U  B  16 ( 3.8A)
 0.78A 2zthA-5xwyA:
undetectable		 2zthA-5xwyA:
11.01
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.
5xxf PROTECTION OF
TELOMERES PROTEIN
POZ1

(Schizosaccharomyces
pombe) 		no annotation 3 SER A  97
GLU A 104
ASP A 173
 None
 0.82A 2zthA-5xxfA:
undetectable		 2zthA-5xxfA:
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 3 SER A  68
GLU A  85
ASP A 133
 SAM  A 302 (-2.7A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.6A)
 0.22A 2zthA-5zw4A:
22.1		 2zthA-5zw4A:
27.39
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.
6bk8 PRE-MRNA-SPLICING
FACTOR SYF1

(Saccharomyces
cerevisiae) 		no annotation 3 SER U 783
GLU U 743
ASP U 750
 None
 0.56A 2zthA-6bk8U:
undetectable		 2zthA-6bk8U:
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.
6em0 2-HYDROXYBIPHENYL-3-
MONOOXYGENASE

(Pseudomonas
nitroreducens) 		no annotation 3 SER A 329
GLU A 124
ASP A 313
 FAD  A 601 ( 3.8A)
FAD  A 601 ( 4.8A)
FAD  A 601 (-3.1A)
 0.66A 2zthA-6em0A:
undetectable		 2zthA-6em0A:
undetectable