SIMILAR PATTERNS OF AMINO ACIDS FOR 4XDT_A_ACTA406_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b9b PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Thermotoga
maritima) 		PF00121
(TIM) 		4 LYS A 161
ARG A 162
LEU A 155
ASP A 156
 None
 1.14A 4xdtA-1b9bA:
0.0		 4xdtA-1b9bA:
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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		4 SER A 697
LYS A 694
ARG A 693
LEU A 791
 None
 1.16A 4xdtA-1c7tA:
0.0		 4xdtA-1c7tA:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ch4 MODULE-SUBSTITUTED
CHIMERA HEMOGLOBIN
BETA-ALPHA

(Homo sapiens) 		PF00042
(Globin) 		4 SER A 107
LYS A 104
LEU A 134
ASP A 131
 None
 1.02A 4xdtA-1ch4A:
0.0		 4xdtA-1ch4A:
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.
1cw0 PROTEIN (DNA
MISMATCH
ENDONUCLEASE)

(Escherichia
coli) 		PF03852
(Vsr) 		4 SER A  11
LYS A  12
ARG A  10
ASP A   6
 None
 1.43A 4xdtA-1cw0A:
0.0		 4xdtA-1cw0A:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dgp ARISTOLOCHENE
SYNTHASE

(Penicillium
roqueforti) 		no annotation 4 SER A 159
ARG A 106
LEU A 156
ASP A 155
 None
 1.47A 4xdtA-1dgpA:
0.0		 4xdtA-1dgpA:
23.72
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.
1hq0 CYTOTOXIC
NECROTIZING FACTOR 1

(Escherichia
coli) 		PF05785
(CNF1) 		4 SER A1011
LYS A1012
ARG A 989
LEU A 991
 None
 1.33A 4xdtA-1hq0A:
0.0		 4xdtA-1hq0A:
19.21
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.
1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		4 SER A 220
ARG A 217
LEU A 352
ASP A 353
 None
 1.43A 4xdtA-1nugA:
0.0		 4xdtA-1nugA:
18.76
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.
1obb ALPHA-GLUCOSIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 SER A  33
LYS A   2
LEU A  63
ASP A  62
 None
 1.44A 4xdtA-1obbA:
0.0		 4xdtA-1obbA:
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.
1p9b ADENYLOSUCCINATE
SYNTHETASE

(Plasmodium
falciparum) 		PF00709
(Adenylsucc_synt) 		4 SER A 276
LYS A 275
LEU A 340
ASP A 341
 None
None
None
GDP  A1603 (-2.8A)
 1.13A 4xdtA-1p9bA:
0.0		 4xdtA-1p9bA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pgv TROPOMODULIN TMD-1

(Caenorhabditis
elegans) 		no annotation 4 SER A 264
LYS A 265
LEU A 231
ASP A 235
 None
 1.40A 4xdtA-1pgvA:
undetectable		 4xdtA-1pgvA:
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.
1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)

(Sus scrofa) 		PF00042
(Globin) 		4 SER A 102
LYS A  99
LEU A 129
ASP A 126
 None
 1.46A 4xdtA-1qpwA:
undetectable		 4xdtA-1qpwA:
21.32
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.
1s0h HEMOGLOBIN ALPHA
CHAIN

(Equus asinus) 		PF00042
(Globin) 		4 SER A 102
LYS A  99
LEU A 129
ASP A 126
 None
 1.34A 4xdtA-1s0hA:
0.0		 4xdtA-1s0hA:
21.38
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF00676
(E1_dh) 		4 SER A  63
ARG A  62
LEU A  59
ASP A  60
 None
 1.47A 4xdtA-1w85A:
0.0		 4xdtA-1w85A:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b4z CYTOCHROME C

(Bos taurus) 		PF00034
(Cytochrom_C) 		4 LYS A  87
ARG A  91
LEU A  94
ASP A  93
 None
 1.30A 4xdtA-2b4zA:
undetectable		 4xdtA-2b4zA:
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.
2e80 CYTOCHROME C-552

(Wolinella
succinogenes) 		PF02335
(Cytochrom_C552) 		4 SER A 181
LYS A 180
LEU A 186
ASP A 187
 None
 1.25A 4xdtA-2e80A:
0.0		 4xdtA-2e80A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2esp UBIQUITIN-CONJUGATIN
G ENZYME E2 D2

(Homo sapiens) 		PF00179
(UQ_con) 		4 SER A 100
LYS A 101
LEU A  13
ASP A  12
 None
 1.33A 4xdtA-2espA:
1.3		 4xdtA-2espA:
18.06
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.
2nd1 BROMODOMAIN-CONTAINI
NG PROTEIN 4

(Homo sapiens) 		PF17035
(BET) 		4 SER A  19
ARG A  16
LEU A  20
ASP A  21
 None
 1.35A 4xdtA-2nd1A:
undetectable		 4xdtA-2nd1A:
13.89
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.
2qe8 UNCHARACTERIZED
PROTEIN

(Trichormus
variabilis) 		PF03022
(MRJP) 		4 SER A 223
LYS A 222
LEU A 201
ASP A 202
 None
 1.41A 4xdtA-2qe8A:
undetectable		 4xdtA-2qe8A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r0v CHROMATIN
STRUCTURE-REMODELING
COMPLEX PROTEIN RSC4

(Saccharomyces
cerevisiae) 		PF00439
(Bromodomain) 		4 SER A  46
LYS A  45
LEU A  48
ASP A  51
 None
 1.25A 4xdtA-2r0vA:
undetectable		 4xdtA-2r0vA:
21.29
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		4 LYS G 134
ARG G 135
LEU G  84
ASP G  81
 None
 1.37A 4xdtA-2uv8G:
undetectable		 4xdtA-2uv8G:
10.03
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.
2v6j RNA HELICASE

(Kokobera virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		4 SER A 347
LYS A 344
ARG A 343
LEU A  86
 None
 1.15A 4xdtA-2v6jA:
undetectable		 4xdtA-2v6jA:
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		4 SER A 569
ARG A 515
LEU A 566
ASP A 565
 None
 1.18A 4xdtA-2vz9A:
undetectable		 4xdtA-2vz9A:
9.61
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.
2x77 ADP-RIBOSYLATION
FACTOR

(Leishmania
major) 		PF00025
(Arf) 		4 LYS A 164
ARG A  39
LEU A 169
ASP A 167
 None
 1.38A 4xdtA-2x77A:
undetectable		 4xdtA-2x77A:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afg SUBTILISIN-LIKE
SERINE PROTEASE

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		4 SER A 502
LYS A 433
LEU A 461
ASP A 460
 None
None
None
CA  A 540 (-3.0A)
 1.27A 4xdtA-3afgA:
undetectable		 4xdtA-3afgA:
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.
3at6 ALPHAA-GLOBIN

(Podocnemis
unifilis) 		PF00042
(Globin) 		4 SER A 102
LYS A  99
LEU A 129
ASP A 126
 None
 1.35A 4xdtA-3at6A:
undetectable		 4xdtA-3at6A:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c1l PUTATIVE ANTIOXIDANT
DEFENSE PROTEIN
MLR4105

(Mesorhizobium
japonicum) 		PF02627
(CMD) 		4 SER A   6
LYS A   4
LEU A   8
ASP A   9
 None
 1.36A 4xdtA-3c1lA:
undetectable		 4xdtA-3c1lA:
23.68
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.
3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2

(Capra hircus) 		PF00042
(Globin) 		4 SER A 102
LYS A  99
LEU A 129
ASP A 126
 None
 1.37A 4xdtA-3d1aA:
undetectable		 4xdtA-3d1aA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gd9 LAMINARIPENTAOSE-PRO
DUCING
BETA-1,3-GULUASE
(LPHASE)

(Streptomyces
matensis) 		PF16483
(Glyco_hydro_64) 		4 SER A 322
LYS A 317
LEU A 310
ASP A 311
 None
 1.34A 4xdtA-3gd9A:
undetectable		 4xdtA-3gd9A:
21.16
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.
3kqi PHD FINGER PROTEIN 2

(Homo sapiens) 		PF00628
(PHD) 		4 LYS A  65
ARG A  66
LEU A  62
ASP A  46
 None
None
None
CL  A  73 ( 4.8A)
 1.12A 4xdtA-3kqiA:
undetectable		 4xdtA-3kqiA:
11.21
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.
3mti RRNA METHYLASE

(Streptococcus
thermophilus) 		PF06962
(rRNA_methylase) 		4 SER A  41
LYS A  42
LEU A  17
ASP A  18
 None
 1.20A 4xdtA-3mtiA:
undetectable		 4xdtA-3mtiA:
22.46
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.
4arx PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 SER A 176
ARG A 173
LEU A 196
ASP A 251
 None
 1.49A 4xdtA-4arxA:
undetectable		 4xdtA-4arxA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4esa HEMOGLOBIN ALPHA
CHAIN

(Eleginops
maclovinus) 		PF00042
(Globin) 		4 SER A 103
LYS A 100
LEU A 130
ASP A 127
 HEM  A 202 ( 4.7A)
None
None
None
 1.47A 4xdtA-4esaA:
undetectable		 4xdtA-4esaA:
18.53
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.
4f0u ALLOPHYCOCYANIN
ALPHA CHAIN
ALLOPHYCOCYANIN,
BETA SUBUNIT

(Synechococcus
elongatus;
Synechococcus
elongatus) 		PF00502
(Phycobilisome)
PF00502
(Phycobilisome) 		4 SER B  12
ARG A  93
LEU B  19
ASP B  20
 None
 1.45A 4xdtA-4f0uB:
undetectable		 4xdtA-4f0uB:
20.23
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.
4gij PSEUDOURIDINE-5'-PHO
SPHATE GLYCOSIDASE

(Escherichia
coli) 		PF04227
(Indigoidine_A) 		4 SER A 115
ARG A  96
LEU A  99
ASP A  98
 None
 1.36A 4xdtA-4gijA:
undetectable		 4xdtA-4gijA:
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.
4h5g AMINO ACID ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		4 SER A 236
ARG A 233
LEU A 232
ASP A 121
 ACT  A 305 ( 4.6A)
EDO  A 308 ( 4.1A)
None
None
 1.49A 4xdtA-4h5gA:
undetectable		 4xdtA-4h5gA:
23.36
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.
4i16 CASPASE RECRUITMENT
DOMAIN-CONTAINING
PROTEIN 11

(Mus musculus) 		PF00619
(CARD) 		4 SER A  34
ARG A  30
LEU A  77
ASP A  78
 None
 1.24A 4xdtA-4i16A:
undetectable		 4xdtA-4i16A:
15.75
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.
4ikg CELL DEATH ACTIVATOR
CIDE-3

(Mus musculus) 		PF02017
(CIDE-N) 		4 LYS A  41
ARG A  43
LEU A  66
ASP A  65
 None
 1.38A 4xdtA-4ikgA:
undetectable		 4xdtA-4ikgA:
12.35
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.
4jcc IRON-COMPOUND ABC
TRANSPORTER,
IRON-COMPOUND-BINDIN
G PROTEIN

(Streptococcus
pneumoniae) 		PF01497
(Peripla_BP_2) 		4 SER A  46
LYS A  45
LEU A  48
ASP A  49
 None
 1.39A 4xdtA-4jccA:
undetectable		 4xdtA-4jccA:
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.
4jqu COUPLING OF
UBIQUITIN
CONJUGATION TO ER
DEGRADATION PROTEIN
1

(Saccharomyces
cerevisiae) 		no annotation 4 LYS B 177
ARG B 178
LEU B 171
ASP B 172
 None
 1.31A 4xdtA-4jquB:
undetectable		 4xdtA-4jquB:
9.03
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.
4l6u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		4 SER A 295
LYS A 280
ARG A 293
LEU A 213
 None
 1.30A 4xdtA-4l6uA:
undetectable		 4xdtA-4l6uA:
23.01
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.
4pzv 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE/DI
HYDROPTEROATE
SYNTHASE

(Francisella
tularensis) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		4 LYS A 155
ARG A 153
LEU A 150
ASP A 149
 None
None
EDO  A 508 (-3.2A)
EDO  A 508 (-4.2A)
 1.45A 4xdtA-4pzvA:
undetectable		 4xdtA-4pzvA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r10 PROTEIN HUMPBACK-2
CADHERIN-RELATED
HMR-1

(Caenorhabditis
elegans;
Caenorhabditis
elegans) 		PF00514
(Arm)
PF01049
(Cadherin_C) 		4 SER A 605
ARG A 609
LEU B1182
ASP B1179
 None
 1.26A 4xdtA-4r10A:
undetectable		 4xdtA-4r10A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase) 		4 LYS A 234
ARG A 235
LEU A 193
ASP A 189
 None
3HC  A 801 ( 3.5A)
None
None
 1.50A 4xdtA-4r3uA:
undetectable		 4xdtA-4r3uA:
19.69
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.
4rd9 AMYLOID-LIKE PROTEIN
1

(Homo sapiens) 		PF12925
(APP_E2) 		4 SER A 339
ARG A 347
LEU A 350
ASP A 346
 None
 1.49A 4xdtA-4rd9A:
undetectable		 4xdtA-4rd9A:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ruw ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE

(Beutenbergia
cavernae) 		PF03372
(Exo_endo_phos) 		4 SER A 199
ARG A 175
LEU A 206
ASP A 209
 None
 1.47A 4xdtA-4ruwA:
undetectable		 4xdtA-4ruwA:
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.
4x0o 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 2

(Vibrio cholerae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 SER A  48
ARG A 142
LEU A  55
ASP A  54
 None
 1.47A 4xdtA-4x0oA:
undetectable		 4xdtA-4x0oA:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xdt FAD:PROTEIN FMN
TRANSFERASE

(Treponema
pallidum) 		PF02424
(ApbE) 		5 SER A  27
LYS A  28
ARG A  29
LEU A 181
ASP A 182
 ACT  A 406 (-2.6A)
None
None
ACT  A 406 (-4.4A)
ACT  A 406 ( 2.5A)
 0.03A 4xdtA-4xdtA:
undetectable		 4xdtA-4xdtA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 LYS A 339
ARG A 343
LEU A 300
ASP A 296
 None
 1.45A 4xdtA-4ysjA:
undetectable		 4xdtA-4ysjA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zdm GLUTAMATE RECEPTOR
KAINATE-LIKE PROTEIN

(Pleurobrachia
bachei) 		PF10613
(Lig_chan-Glu_bd) 		4 SER A 225
ARG A 222
LEU A 221
ASP A 106
 None
 1.39A 4xdtA-4zdmA:
undetectable		 4xdtA-4zdmA:
20.75
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.
5clr LEGK4

(Legionella
pneumophila) 		PF00069
(Pkinase) 		4 SER A 390
LYS A 387
ARG A 312
LEU A 316
 None
 1.44A 4xdtA-5clrA:
undetectable		 4xdtA-5clrA:
22.46
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.
5dmn HOMOCYSTEINE
S-METHYLTRANSFERASE

(Escherichia
coli) 		PF02574
(S-methyl_trans) 		4 SER A  88
LYS A  89
LEU A  83
ASP A  84
 None
None
None
SO4  A 401 ( 4.2A)
 1.44A 4xdtA-5dmnA:
undetectable		 4xdtA-5dmnA:
22.10
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.
5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL

(Homo sapiens) 		PF03630
(Fumble) 		4 SER A 542
ARG A 506
LEU A 546
ASP A 539
 None
 1.47A 4xdtA-5e26A:
undetectable		 4xdtA-5e26A:
22.66
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.
5ee4 HPUA

(Kingella
denitrificans) 		PF16960
(HpuA) 		4 SER A 280
LYS A 267
LEU A 162
ASP A 160
 None
 1.46A 4xdtA-5ee4A:
undetectable		 4xdtA-5ee4A:
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.
5jxd TUMOR NECROSIS
FACTOR ALPHA-INDUCED
PROTEIN 8

(Mus musculus) 		PF05527
(DUF758) 		4 SER A 129
ARG A 125
LEU A 168
ASP A 164
 None
 1.38A 4xdtA-5jxdA:
undetectable		 4xdtA-5jxdA:
19.58
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.
5kwy EPIDIDYMAL SECRETORY
PROTEIN E1

(Homo sapiens) 		PF02221
(E1_DerP2_DerF2) 		4 SER C  63
LYS C 103
LEU C 138
ASP C  31
 None
 1.29A 4xdtA-5kwyC:
undetectable		 4xdtA-5kwyC:
16.47
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.
5nnl INACTIVE
DIHYDROOROTASE-LIKE
DOMAIN

(Chaetomium
thermophilum) 		no annotation 4 SER A1566
LYS A1567
LEU A1537
ASP A1544
 None
 1.16A 4xdtA-5nnlA:
undetectable		 4xdtA-5nnlA:
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.
5xxi CYTOCHROME P450 2C9

(Homo sapiens) 		no annotation 4 SER A 460
LYS A 459
LEU A 467
ASP A 463
 None
 1.38A 4xdtA-5xxiA:
undetectable		 4xdtA-5xxiA:
21.00
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.
5y2a INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 SER A2225
LYS A2226
ARG A2227
ASP A2274
 None
 1.21A 4xdtA-5y2aA:
undetectable		 4xdtA-5y2aA:
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.
6f0k ACTF

(Rhodothermus
marinus) 		no annotation 4 SER F 199
LYS F 197
ARG F 196
LEU F  89
 None
 1.25A 4xdtA-6f0kF:
undetectable		 4xdtA-6f0kF:
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC8

(Saccharomyces
cerevisiae) 		no annotation 4 SER G  90
LYS G  91
LEU G 102
ASP G 106
 None
 1.45A 4xdtA-6f42G:
undetectable		 4xdtA-6f42G:
undetectable