SIMILAR PATTERNS OF AMINO ACIDS FOR 5G44_A_YTZA1512_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.
1fnn CELL DIVISION
CONTROL PROTEIN 6

(Pyrobaculum
aerophilum) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 LEU A 202
LEU A 219
ALA A 207
VAL A   8
ARG A 204
 None
None
None
None
ADP  A 398 (-3.4A)
 1.28A 5g44A-1fnnA:
0.0		 5g44A-1fnnA:
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.
1gq2 MALIC ENZYME

(Columba livia) 		PF00390
(malic)
PF03949
(Malic_M) 		5 LEU A 291
LEU A 302
ALA A 284
MET A 325
ALA A 326
 None
 1.49A 5g44A-1gq2A:
0.0		 5g44A-1gq2A:
19.20
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.
1jmu PROTEIN MU-1

(Reovirus sp.) 		PF05993
(Reovirus_M2) 		5 LEU B 326
LEU B 334
ALA B 491
ARG B 324
ARG B 366
 None
 1.43A 5g44A-1jmuB:
0.0		 5g44A-1jmuB:
17.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nq7 NUCLEAR RECEPTOR
ROR-BETA

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		5 GLN A 228
LEU A 234
ARG A 306
ARG A 309
ALA A 310
 ARL  A 800 (-4.7A)
None
ARL  A 800 (-4.4A)
ARL  A 800 ( 4.9A)
ARL  A 800 ( 4.1A)
 1.10A 5g44A-1nq7A:
34.0		 5g44A-1nq7A:
46.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nq7 NUCLEAR RECEPTOR
ROR-BETA

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		7 LEU A 234
ALA A 269
VAL A 303
ARG A 306
MET A 307
ARG A 309
ALA A 310
 None
ARL  A 800 ( 3.9A)
ARL  A 800 ( 4.7A)
ARL  A 800 (-4.4A)
ARL  A 800 (-3.7A)
ARL  A 800 ( 4.9A)
ARL  A 800 ( 4.1A)
 0.63A 5g44A-1nq7A:
34.0		 5g44A-1nq7A:
46.24
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.
1pzx HYPOTHETICAL PROTEIN
APC36103

(Geobacillus
stearothermophilus) 		PF02645
(DegV) 		5 LEU A  26
LEU A  71
ALA A  11
VAL A 130
ALA A  24
 None
 1.39A 5g44A-1pzxA:
undetectable		 5g44A-1pzxA:
23.87
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 LEU A 129
LEU A  52
ALA A  67
VAL A  43
ALA A  47
 None
 1.50A 5g44A-1rp0A:
undetectable		 5g44A-1rp0A:
20.12
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		5 LEU A 255
LEU A 241
VAL A 263
ARG A 239
ALA A 266
 None
 1.19A 5g44A-1sgvA:
0.0		 5g44A-1sgvA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sjp 60 KDA CHAPERONIN 2

(Mycobacterium
tuberculosis) 		PF00118
(Cpn60_TCP1) 		5 LEU A 158
LEU A 184
ALA A 146
MET A 163
ALA A 162
 None
 1.47A 5g44A-1sjpA:
0.1		 5g44A-1sjpA:
18.43
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.
1uwi BETA-GALACTOSIDASE

(Sulfolobus
solfataricus) 		PF00232
(Glyco_hydro_1) 		5 LEU A 231
LEU A 175
ARG A 233
MET A 236
ALA A 235
 None
 1.50A 5g44A-1uwiA:
undetectable		 5g44A-1uwiA:
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.
1w3b UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110

(Homo sapiens) 		PF00515
(TPR_1)
PF13181
(TPR_8)
PF13414
(TPR_11)
PF13424
(TPR_12) 		5 LEU A 221
LEU A 225
ALA A 241
VAL A 251
ALA A 234
 None
 1.43A 5g44A-1w3bA:
undetectable		 5g44A-1w3bA:
22.47
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.
1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]

(Anaerobiospirillum
succiniciproducens) 		PF01293
(PEPCK_ATP) 		5 LEU A 101
LEU A 196
ALA A  94
VAL A  90
ALA A 183
 None
 1.30A 5g44A-1ytmA:
undetectable		 5g44A-1ytmA:
18.15
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.
2d2e SUFC PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran) 		5 LEU A  19
VAL A 223
ARG A 221
MET A 218
ALA A  40
 None
 1.46A 5g44A-2d2eA:
undetectable		 5g44A-2d2eA:
23.83
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.
2f9y ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Escherichia
coli) 		PF01039
(Carboxyl_trans) 		5 LEU B  61
ALA B 107
VAL B 138
ARG B 141
ALA B 123
 None
 1.21A 5g44A-2f9yB:
undetectable		 5g44A-2f9yB:
22.98
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.
2i5c PLECKSTRIN

(Homo sapiens) 		PF00169
(PH) 		5 LEU A 275
LEU A 292
VAL A 244
ARG A 269
ALA A 345
 None
 1.41A 5g44A-2i5cA:
undetectable		 5g44A-2i5cA:
19.37
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.
2j5c 1,8-CINEOLE SYNTHASE

(Salvia
fruticosa) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 GLN A 193
LEU A 192
LEU A 219
ALA A 151
ALA A 215
 None
 1.02A 5g44A-2j5cA:
undetectable		 5g44A-2j5cA:
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.
2rqk MESODERM DEVELOPMENT
CANDIDATE 2

(Mus musculus) 		PF10185
(Mesd) 		5 LEU A  14
LEU A  15
ALA A 105
VAL A  66
MET A  64
 None
 0.96A 5g44A-2rqkA:
undetectable		 5g44A-2rqkA:
18.36
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 LEU A 894
LEU A 765
ALA A 705
MET A 899
ALA A 898
 None
 1.19A 5g44A-2vcaA:
undetectable		 5g44A-2vcaA:
14.75
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.
2x4g NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		5 LEU A  39
LEU A  41
ALA A  31
ARG A  30
ALA A  20
 None
 1.46A 5g44A-2x4gA:
undetectable		 5g44A-2x4gA:
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.
3asf MAGNETOSOME PROTEIN
MAMA

(Magnetospirillum
gryphiswaldense) 		PF13181
(TPR_8)
PF13432
(TPR_16) 		5 LEU A 154
LEU A 158
ALA A 174
VAL A 184
ALA A 167
 None
 1.33A 5g44A-3asfA:
undetectable		 5g44A-3asfA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dzc UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Vibrio cholerae) 		PF02350
(Epimerase_2) 		5 LEU A 202
LEU A 208
VAL A 278
MET A 281
ALA A 284
 None
 1.49A 5g44A-3dzcA:
undetectable		 5g44A-3dzcA:
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.
3g64 PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
coelicolor) 		PF00378
(ECH_1) 		5 LEU A 164
LEU A 177
ALA A 132
VAL A 104
MET A 158
 None
 1.07A 5g44A-3g64A:
undetectable		 5g44A-3g64A:
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.
3g87 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Burkholderia
pseudomallei) 		PF00698
(Acyl_transf_1) 		5 GLN A  60
LEU A  47
ALA A 118
VAL A 114
ALA A  65
 None
 1.23A 5g44A-3g87A:
undetectable		 5g44A-3g87A:
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.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 LEU A 336
LEU A  59
ALA A 342
MET A 366
ALA A 367
 None
 1.44A 5g44A-3lscA:
undetectable		 5g44A-3lscA:
18.61
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.
3n0r RESPONSE REGULATOR

(Caulobacter
vibrioides) 		PF00072
(Response_reg) 		5 LEU A 117
LEU A 102
ALA A  62
VAL A  59
ARG A  58
 None
 1.40A 5g44A-3n0rA:
undetectable		 5g44A-3n0rA:
24.19
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.
3n2o BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Vibrio
vulnificus) 		PF02784
(Orn_Arg_deC_N) 		5 GLN A 127
LEU A 128
LEU A 117
VAL A 176
ALA A 145
 None
 1.48A 5g44A-3n2oA:
undetectable		 5g44A-3n2oA:
18.86
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.
3n70 TRANSPORT ACTIVATOR

(Escherichia
coli) 		PF14532
(Sigma54_activ_2) 		5 LEU A 162
ALA A 183
VAL A 223
ARG A 250
ALA A 168
 None
 1.31A 5g44A-3n70A:
undetectable		 5g44A-3n70A:
18.15
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		5 GLN A 364
LEU A 370
LEU A 383
ALA A 211
ARG A 366
 None
 1.31A 5g44A-3nztA:
undetectable		 5g44A-3nztA:
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.
3pbk FATTY ACYL-ADENYLATE
LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding) 		5 LEU A  71
LEU A  99
ALA A 166
VAL A 168
ALA A  97
 None
 1.38A 5g44A-3pbkA:
undetectable		 5g44A-3pbkA:
19.64
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.
3qre ENOYL-COA HYDRATASE,
ECHA12_1

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 LEU A 190
LEU A 129
ALA A 136
ARG A 134
ALA A 128
 None
 1.41A 5g44A-3qreA:
undetectable		 5g44A-3qreA:
22.01
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.
3slk POLYKETIDE SYNTHASE
EXTENDER MODULE 2

(Saccharopolyspora
spinosa) 		PF08240
(ADH_N)
PF08659
(KR)
PF13602
(ADH_zinc_N_2) 		5 LEU A 663
LEU A 640
ALA A 118
VAL A 112
ALA A 667
 None
 1.46A 5g44A-3slkA:
undetectable		 5g44A-3slkA:
18.36
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.
3tau GUANYLATE KINASE

(Listeria
monocytogenes) 		PF00625
(Guanylate_kin) 		5 LEU A 128
VAL A 146
ARG A 149
MET A 150
ALA A 153
 None
 1.27A 5g44A-3tauA:
undetectable		 5g44A-3tauA:
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.
3ty4 PROBABLE
HOMOISOCITRATE
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00180
(Iso_dh) 		5 LEU A  75
LEU A   9
ALA A 275
VAL A 277
ALA A  73
 None
 1.24A 5g44A-3ty4A:
undetectable		 5g44A-3ty4A:
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.
3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB

(Aspergillus
oryzae) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 220
LEU A 222
ALA A 185
VAL A 121
ALA A 165
 None
 1.47A 5g44A-3wxyA:
undetectable		 5g44A-3wxyA:
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.
4bi9 3-KETOACYL-COA
THIOLASE, PUTATIVE

(Trypanosoma
brucei) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLN A 128
LEU A 291
ALA A 294
VAL A 313
ALA A 318
 None
 1.48A 5g44A-4bi9A:
undetectable		 5g44A-4bi9A:
19.73
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.
4ciu CHAPERONE PROTEIN
CLPB

(Escherichia
coli) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 LEU A 540
LEU A 376
ALA A 397
VAL A 531
ALA A 372
 None
 1.20A 5g44A-4ciuA:
undetectable		 5g44A-4ciuA:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dnx SULFATE
ADENYLYLTRANSFERASE

(Allochromatium
vinosum) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 GLN A 285
LEU A  10
ALA A 289
ARG A 184
ALA A 180
 None
 1.46A 5g44A-4dnxA:
undetectable		 5g44A-4dnxA:
19.01
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.
4e84 D-BETA-D-HEPTOSE
7-PHOSPHATE KINASE

(Burkholderia
cenocepacia) 		PF00294
(PfkB) 		5 LEU A 198
LEU A 182
VAL A 284
MET A 279
ALA A 277
 None
 1.22A 5g44A-4e84A:
undetectable		 5g44A-4e84A:
23.50
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.
4e84 D-BETA-D-HEPTOSE
7-PHOSPHATE KINASE

(Burkholderia
cenocepacia) 		PF00294
(PfkB) 		5 LEU A 292
LEU A 314
ALA A 255
ARG A 295
ALA A 296
 None
 1.46A 5g44A-4e84A:
undetectable		 5g44A-4e84A:
23.50
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.
4ht1 TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
12

(Homo sapiens) 		PF00229
(TNF) 		5 LEU T 120
LEU T  65
ALA T  93
VAL T  88
ALA T 122
 None
 1.47A 5g44A-4ht1T:
undetectable		 5g44A-4ht1T:
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
thermoresistibile) 		PF00082
(Peptidase_S8) 		5 LEU A 194
LEU A 151
ALA A 225
VAL A 233
ALA A  89
 IMD  A 508 ( 4.4A)
None
None
None
None
 1.40A 5g44A-4hvlA:
undetectable		 5g44A-4hvlA:
16.97
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.
4juo DNA TOPOISOMERASE 4
SUBUNIT B

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
PF02518
(HATPase_c) 		5 GLN C 450
LEU C 603
ALA C 441
VAL C 432
ALA C 538
 None
 1.20A 5g44A-4juoC:
undetectable		 5g44A-4juoC:
18.59
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.
4nte DEPH

(Chromobacterium
violaceum) 		PF07992
(Pyr_redox_2) 		5 GLN A  23
LEU A  22
LEU A  69
VAL A   8
ALA A  75
 None
 1.40A 5g44A-4nteA:
undetectable		 5g44A-4nteA:
21.13
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.
4p63 PROBABLE
DEOXYHYPUSINE
SYNTHASE

(Pyrococcus
horikoshii) 		PF01916
(DS) 		5 LEU A  71
LEU A  89
ALA A 255
VAL A  57
ARG A  61
 None
 1.36A 5g44A-4p63A:
undetectable		 5g44A-4p63A:
21.07
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.
4q6u UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A 153
LEU A 313
ALA A 236
VAL A 322
ALA A 319
 None
 1.32A 5g44A-4q6uA:
undetectable		 5g44A-4q6uA:
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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		5 LEU A 103
LEU A 141
ALA A  96
VAL A  80
ALA A  74
 None
 1.41A 5g44A-4qjyA:
undetectable		 5g44A-4qjyA:
18.15
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.
4r0s PROTEIN TYROSINE
PHOSPHATASE TPBA

(Pseudomonas
aeruginosa) 		PF03162
(Y_phosphatase2) 		5 LEU A  56
VAL A 149
MET A 145
ARG A 147
ALA A 143
 None
 1.39A 5g44A-4r0sA:
undetectable		 5g44A-4r0sA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4s15 NUCLEAR RECEPTOR
ROR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 295
ALA A 330
VAL A 364
ARG A 367
MET A 368
ARG A 370
ALA A 371
 None
4D8  A 601 (-3.1A)
None
GOL  A 602 (-4.5A)
4D8  A 601 (-4.0A)
GOL  A 602 (-3.3A)
4D8  A 601 ( 4.0A)
 0.62A 5g44A-4s15A:
34.9		 5g44A-4s15A:
50.19
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.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 LEU A  86
LEU A  92
ALA A  79
VAL A  23
ALA A  17
 None
 1.37A 5g44A-4twiA:
undetectable		 5g44A-4twiA:
20.50
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.
4txk PROTEIN-METHIONINE
SULFOXIDE OXIDASE
MICAL1

(Mus musculus) 		PF00307
(CH)
PF01494
(FAD_binding_3) 		5 LEU A 106
VAL A 432
ARG A 422
MET A 419
ALA A 417
 None
 1.48A 5g44A-4txkA:
undetectable		 5g44A-4txkA:
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.
4xz3 ACYL-COA SYNTHETASE
(NDP FORMING)

(Candidatus
Korarchaeum
cryptofilum) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		5 LEU A 126
LEU A 190
ALA A  71
VAL A  92
MET A 123
 None
 1.39A 5g44A-4xz3A:
undetectable		 5g44A-4xz3A:
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.
4z3o DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE

(Streptococcus
pneumoniae) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		5 GLN A 450
LEU A 603
ALA A 441
VAL A 432
ALA A 538
 None
 1.27A 5g44A-4z3oA:
undetectable		 5g44A-4z3oA:
15.39
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.
4zoh PUTATIVE
OXIDOREDUCTASE
FAD-BINDING SUBUNIT

(Sulfurisphaera
tokodaii) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU B  59
LEU B  74
ALA B  17
VAL B  51
ALA B  31
 None
None
None
None
FAD  B 301 (-3.5A)
 1.28A 5g44A-4zohB:
undetectable		 5g44A-4zohB:
20.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c4t NUCLEAR RECEPTOR
ROR-GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLN A 286
LEU A 287
LEU A 292
ARG A 367
ALA A 368
 None
 0.95A 5g44A-5c4tA:
34.2		 5g44A-5c4tA:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c4t NUCLEAR RECEPTOR
ROR-GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLN A 286
LEU A 292
VAL A 363
ARG A 367
ALA A 368
 None
 1.28A 5g44A-5c4tA:
34.2		 5g44A-5c4tA:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c4t NUCLEAR RECEPTOR
ROR-GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 LEU A 287
LEU A 292
ALA A 327
VAL A 361
ARG A 364
MET A 365
ARG A 367
ALA A 368
 None
 0.53A 5g44A-5c4tA:
34.2		 5g44A-5c4tA:
99.59
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.
5da0 SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp)
PF01740
(STAS) 		5 LEU A  84
LEU A 234
ALA A  46
VAL A  48
ALA A 280
 None
 1.31A 5g44A-5da0A:
undetectable		 5g44A-5da0A:
20.31
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.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		5 GLN A 131
LEU A 134
LEU A  99
ALA A 127
ARG A 103
 None
 1.17A 5g44A-5h2vA:
undetectable		 5g44A-5h2vA:
14.03
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.
5iof SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp) 		5 LEU A  84
LEU A 234
ALA A  46
VAL A  48
ALA A 280
 None
 1.31A 5g44A-5iofA:
undetectable		 5g44A-5iofA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j5d 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00701
(DHDPS) 		5 GLN A 267
LEU A 289
ALA A 218
VAL A 244
ALA A 250
 None
 1.13A 5g44A-5j5dA:
undetectable		 5g44A-5j5dA:
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 GLN A1191
LEU A1165
VAL A1211
ARG A1099
ALA A1119
 None
 1.34A 5g44A-5kf7A:
undetectable		 5g44A-5kf7A:
12.39
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.
5l9s ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (MANNOPINE)

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		5 LEU A 245
LEU A 146
ALA A 250
VAL A 230
ALA A 148
 None
 1.21A 5g44A-5l9sA:
undetectable		 5g44A-5l9sA:
20.77
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.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 430
LEU A 406
ALA A 436
VAL A 269
ALA A 402
 None
 1.33A 5g44A-5toaA:
19.8		 5g44A-5toaA:
23.28
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.
5vym BETA-GALACTOSIDASE
BGAB

(Bifidobacterium
adolescentis) 		PF08532
(Glyco_hydro_42M) 		5 LEU A 217
LEU A 151
ALA A 223
ARG A 219
ALA A 150
 None
 1.20A 5g44A-5vymA:
undetectable		 5g44A-5vymA:
19.49
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.
5wat HOMOSERINE KINASE

(Corynebacterium
glutamicum) 		no annotation 5 LEU A 283
ALA A 181
VAL A 183
ARG A 287
ALA A 286
 None
 1.49A 5g44A-5watA:
undetectable		 5g44A-5watA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yat MITOCHONDRIAL
ALCOHOL
DEHYDROGENASE
ISOZYME III

(Komagataella
phaffii) 		no annotation 5 LEU A 198
LEU A 170
ALA A 189
VAL A 248
ALA A 168
 None
 1.18A 5g44A-5yatA:
undetectable		 5g44A-5yatA:
12.60
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.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 GLN A 158
LEU A 216
ALA A 152
VAL A 143
ALA A 211
 None
 1.44A 5g44A-5z73A:
undetectable		 5g44A-5z73A:
16.41
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.
6b3y DENN
DOMAIN-CONTAINING
PROTEIN 3

(Mus musculus) 		no annotation 5 LEU A 790
LEU A 830
ARG A 826
MET A 822
ALA A 821
 None
 1.29A 5g44A-6b3yA:
undetectable		 5g44A-6b3yA:
14.80
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.
6cyz HOMOSERINE KINASE

(Mycobacteroides
abscessus) 		no annotation 5 LEU A  22
LEU A 217
ALA A 273
VAL A 260
MET A 229
 None
 1.50A 5g44A-6cyzA:
undetectable		 5g44A-6cyzA:
16.94
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.
6et7 DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 5 LEU A 499
LEU A 434
ALA A 326
VAL A 323
ARG A 327
 None
 1.44A 5g44A-6et7A:
undetectable		 5g44A-6et7A:
18.45