SIMILAR PATTERNS OF AMINO ACIDS FOR 5IKR_A_ID8A601_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.
1b3b PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermotoga
maritima) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 LEU A  98
VAL A 345
GLY A 343
ALA A 342
LEU A 339
 None
 1.14A 5ikrA-1b3bA:
0.0		 5ikrA-1b3bA:
21.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 ARG A 120
VAL A 349
LEU A 352
SER A 353
TYR A 355
TYR A 385
TRP A 387
GLY A 526
ALA A 527
LEU A 531
 SCL  A 700 (-3.9A)
SCL  A 700 ( 4.6A)
SCL  A 700 ( 4.8A)
None
SCL  A 700 (-4.3A)
None
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 (-4.1A)
 0.49A 5ikrA-1ebvA:
58.6		 5ikrA-1ebvA:
63.88
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
 None
None
None
None
PG4  A9013 (-3.9A)
 1.09A 5ikrA-1h17A:
0.1		 5ikrA-1h17A:
20.41
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.
1hrd GLUTAMATE
DEHYDROGENASE

([Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 SER A 369
VAL A 427
GLY A 429
ALA A 430
LEU A 116
 None
 1.13A 5ikrA-1hrdA:
0.0		 5ikrA-1hrdA:
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.
1iug PUTATIVE ASPARTATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00266
(Aminotran_5) 		5 LEU A 193
SER A 183
VAL A 239
ALA A 238
LEU A  20
 None
 1.15A 5ikrA-1iugA:
0.0		 5ikrA-1iugA:
20.96
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.
1jgc BACTERIOFERRITIN

(Rhodobacter
capsulatus) 		PF00210
(Ferritin) 		5 VAL A 131
LEU A 134
TYR A  25
GLY A  93
LEU A  98
 None
 1.14A 5ikrA-1jgcA:
undetectable		 5ikrA-1jgcA:
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.
1jy1 TYROSYL-DNA
PHOSPHODIESTERASE

(Homo sapiens) 		PF06087
(Tyr-DNA_phospho) 		5 VAL A 227
TYR A 537
ALA A 332
SER A 334
LEU A 335
 None
 0.98A 5ikrA-1jy1A:
0.0		 5ikrA-1jy1A:
21.91
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.
1kyo HEAVY CHAIN (VH) OF
FV-FRAGMENT

(Mus musculus) 		PF07686
(V-set) 		5 LEU J  18
SER J  17
VAL J  12
GLY J  10
ALA J   9
 None
 1.17A 5ikrA-1kyoJ:
undetectable		 5ikrA-1kyoJ:
11.43
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.
1lzk HEROIN ESTERASE

(Rhodococcus sp.) 		PF07859
(Abhydrolase_3) 		5 LEU A 249
VAL A 170
GLY A 168
ALA A 167
LEU A 191
 None
 1.02A 5ikrA-1lzkA:
0.0		 5ikrA-1lzkA:
20.59
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.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		5 LEU A  11
SER A   8
TYR A  29
VAL A  19
GLY A  27
 None
 1.18A 5ikrA-1nj8A:
0.0		 5ikrA-1nj8A:
20.07
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.
1od6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Thermus
thermophilus) 		PF01467
(CTP_transf_like) 		5 VAL A 146
LEU A 145
GLY A 140
ALA A 136
LEU A 154
 None
 1.11A 5ikrA-1od6A:
undetectable		 5ikrA-1od6A:
15.23
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.
1odi PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermus
thermophilus) 		PF01048
(PNP_UDP_1) 		5 VAL A 153
SER A 155
GLY A  92
ALA A  91
LEU A 200
 None
None
ADN  A1237 (-3.4A)
None
None
 1.14A 5ikrA-1odiA:
undetectable		 5ikrA-1odiA:
17.78
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.
1orf GRANZYME A

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A 155
TYR A  29
GLY A  44
ALA A  43
SER A 197
 None
 1.16A 5ikrA-1orfA:
undetectable		 5ikrA-1orfA:
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.
1qhg ATP-DEPENDENT
HELICASE PCRA

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A  40
LEU A  41
GLY A 250
ALA A  31
LEU A 282
 None
 1.13A 5ikrA-1qhgA:
undetectable		 5ikrA-1qhgA:
20.08
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.
1qhh PROTEIN (PCRA
(SUBUNIT))

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A  40
LEU A  41
GLY B 250
ALA A  31
LEU B 282
 None
 1.16A 5ikrA-1qhhA:
undetectable		 5ikrA-1qhhA:
14.83
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 104
GLY A 349
ALA A 350
SER A 353
LEU A 354
 None
 1.09A 5ikrA-1tqyA:
undetectable		 5ikrA-1tqyA:
21.78
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.
1u5q SERINE/THREONINE
PROTEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		5 LEU A 159
VAL A 131
GLY A 134
ALA A 135
LEU A 167
 None
 1.15A 5ikrA-1u5qA:
undetectable		 5ikrA-1u5qA:
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.
1xf1 C5A PEPTIDASE

(Streptococcus
pyogenes) 		PF00082
(Peptidase_S8)
PF02225
(PA)
PF06280
(fn3_5)
PF13585
(CHU_C) 		5 VAL A 518
LEU A 517
VAL A 111
ALA A 577
LEU A 549
 None
 1.15A 5ikrA-1xf1A:
1.1		 5ikrA-1xf1A:
20.24
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.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		5 VAL A 179
TYR A 294
GLY A 163
ALA A 164
LEU A 168
 None
 1.12A 5ikrA-2a0uA:
undetectable		 5ikrA-2a0uA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cw6 HYDROXYMETHYLGLUTARY
L-COA LYASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like) 		5 LEU A 299
VAL A 260
GLY A 262
ALA A 261
SER A 316
 None
 1.03A 5ikrA-2cw6A:
undetectable		 5ikrA-2cw6A:
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.
2det TRNA-SPECIFIC
2-THIOURIDYLASE MNMA

(Escherichia
coli) 		PF03054
(tRNA_Me_trans) 		5 LEU A  24
SER A  21
VAL A 178
ALA A 182
LEU A 187
 None
 1.12A 5ikrA-2detA:
undetectable		 5ikrA-2detA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 236
GLY A 280
ALA A 281
SER A 284
LEU A 285
 NAD  A1403 (-4.7A)
NAD  A1403 ( 4.4A)
NAD  A1403 ( 4.0A)
None
None
 0.98A 5ikrA-2dphA:
undetectable		 5ikrA-2dphA:
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.
2dst HYPOTHETICAL PROTEIN
TTHA1544

(Thermus
thermophilus) 		no annotation 5 LEU A  48
VAL A  70
GLY A  72
ALA A  74
LEU A  79
 None
 1.15A 5ikrA-2dstA:
undetectable		 5ikrA-2dstA:
13.46
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.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE

(Pseudomonas
aeruginosa) 		PF00682
(HMGL-like) 		5 VAL A 274
LEU A 273
GLY A 236
ALA A 235
SER A 290
 None
 1.09A 5ikrA-2ftpA:
undetectable		 5ikrA-2ftpA:
19.63
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.
2gcd SERINE/THREONINE-PRO
TEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		5 LEU A 159
VAL A 131
GLY A 134
ALA A 135
LEU A 167
 None
 1.15A 5ikrA-2gcdA:
undetectable		 5ikrA-2gcdA:
20.58
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.
2gk9 PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE II,
GAMMA

(Homo sapiens) 		PF01504
(PIP5K) 		5 LEU A 126
TYR A 189
GLY A  54
ALA A  56
SER A  58
 None
 1.12A 5ikrA-2gk9A:
undetectable		 5ikrA-2gk9A:
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.
2i34 ACID PHOSPHATASE

(Bacillus
anthracis) 		PF03767
(Acid_phosphat_B) 		5 VAL A  70
LEU A  71
GLY A 142
ALA A 143
LEU A 110
 None
 0.85A 5ikrA-2i34A:
undetectable		 5ikrA-2i34A:
16.39
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.
2j6i FORMATE
DEHYDROGENASE

([Candida]
boidinii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 238
TYR A 194
VAL A 227
GLY A 171
ALA A 229
 None
 1.13A 5ikrA-2j6iA:
undetectable		 5ikrA-2j6iA:
20.96
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.
2jpd DNA EXCISION REPAIR
PROTEIN ERCC-1

(Homo sapiens) 		PF03834
(Rad10) 		5 VAL A 171
LEU A 141
SER A 142
ALA A 181
LEU A 182
 None
 1.00A 5ikrA-2jpdA:
undetectable		 5ikrA-2jpdA:
13.57
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.
2pbl PUTATIVE
ESTERASE/LIPASE/THIO
ESTERASE

(Ruegeria sp.
TM1040) 		PF07859
(Abhydrolase_3) 		5 TRP A  81
GLY A 138
ALA A 137
SER A 136
LEU A 168
 None
None
None
UNL  A 263 (-3.7A)
None
 1.17A 5ikrA-2pblA:
undetectable		 5ikrA-2pblA:
18.01
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.
2pjr PROTEIN (HELICASE
PCRA)

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A  40
LEU A  41
GLY A 250
ALA A  31
LEU A 282
 None
 1.06A 5ikrA-2pjrA:
undetectable		 5ikrA-2pjrA:
21.08
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.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ARG A 421
VAL A 405
LEU A 383
TYR A 373
ALA A 376
 None
 1.18A 5ikrA-2qf7A:
undetectable		 5ikrA-2qf7A:
18.66
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.
2rau PUTATIVE ESTERASE

(Sulfolobus
solfataricus) 		PF12146
(Hydrolase_4) 		5 VAL A 345
LEU A 349
VAL A  52
ALA A 148
LEU A 175
 None
 1.02A 5ikrA-2rauA:
undetectable		 5ikrA-2rauA:
20.76
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.
2ru4 ARMADILLO REPEAT
PROTEIN, C-TERMINAL
FRAGMENT, MAII
ARMADILLO REPEAT
PROTEIN, N-TERMINAL
FRAGMENT, YIIM2

(synthetic
construct) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 SER A 110
VAL B 123
GLY B 127
ALA B 128
LEU B 132
 None
 1.00A 5ikrA-2ru4A:
undetectable		 5ikrA-2ru4A:
12.13
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 SER A 421
TRP A 579
GLY A 412
ALA A 413
LEU A 409
 None
 0.90A 5ikrA-2wskA:
undetectable		 5ikrA-2wskA:
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.
2xec PUTATIVE MALEATE
ISOMERASE

(Nocardia
farcinica) 		no annotation 5 LEU A 158
VAL A 174
ALA A 178
SER A 180
LEU A 181
 None
 0.87A 5ikrA-2xecA:
undetectable		 5ikrA-2xecA:
19.07
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.
2xn8 PUTATIVE CYTOCHROME
P450 125

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 VAL A 313
LEU A 415
VAL A 267
GLY A 269
ALA A 268
 HEM  A1434 ( 4.9A)
None
None
HEM  A1434 (-3.3A)
HEM  A1434 (-3.5A)
 1.05A 5ikrA-2xn8A:
0.0		 5ikrA-2xn8A:
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.
2xwx GLCNAC-BINDING
PROTEIN A

(Vibrio cholerae) 		PF03067
(LPMO_10) 		5 VAL A  66
SER A  65
TRP A 115
GLY A  37
LEU A  93
 None
 1.15A 5ikrA-2xwxA:
undetectable		 5ikrA-2xwxA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH) 		5 VAL A 152
LEU A 153
GLY A 159
ALA A 162
LEU A 165
 None
 1.16A 5ikrA-2ynmA:
undetectable		 5ikrA-2ynmA:
21.46
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.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		5 LEU A 593
VAL A 546
GLY A 548
ALA A 551
LEU A 555
 None
 1.17A 5ikrA-2ziuA:
undetectable		 5ikrA-2ziuA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ab4 ASPARTOKINASE

(Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		5 VAL A 217
SER A 216
VAL B   5
GLY B 102
ALA B 103
 None
 1.16A 5ikrA-3ab4A:
undetectable		 5ikrA-3ab4A:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e1h PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 VAL A 380
VAL A 267
ALA A 271
SER A 274
LEU A 275
 None
 1.14A 5ikrA-3e1hA:
undetectable		 5ikrA-3e1hA:
22.69
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.
3e7w D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A   4
TYR A 203
VAL A  73
GLY A  71
SER A  36
 None
 1.07A 5ikrA-3e7wA:
undetectable		 5ikrA-3e7wA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3euo TYPE III PENTAKETIDE
SYNTHASE

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 VAL A 380
VAL A 267
ALA A 271
SER A 274
LEU A 275
 None
 1.15A 5ikrA-3euoA:
undetectable		 5ikrA-3euoA:
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.
3i5p NUCLEOPORIN NUP170

(Saccharomyces
cerevisiae) 		PF03177
(Nucleoporin_C) 		5 LEU A1307
VAL A1268
GLY A1270
ALA A1269
LEU A1229
 None
 1.10A 5ikrA-3i5pA:
undetectable		 5ikrA-3i5pA:
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.
3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2

(Homo sapiens) 		PF00069
(Pkinase)
PF00498
(FHA) 		5 LEU A 421
SER A 422
TYR A 424
TRP A 485
LEU A 467
 None
 1.15A 5ikrA-3i6uA:
undetectable		 5ikrA-3i6uA:
22.68
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.
3ikf 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Burkholderia
pseudomallei) 		PF02542
(YgbB) 		5 VAL A  96
SER A  98
GLY A   6
ALA A  49
LEU A  50
 None
 1.07A 5ikrA-3ikfA:
undetectable		 5ikrA-3ikfA:
17.37
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.
3ioy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Novosphingobium
aromaticivorans) 		PF00106
(adh_short) 		5 VAL A 170
LEU A 173
SER A 174
VAL A 124
GLY A 123
 None
 1.14A 5ikrA-3ioyA:
undetectable		 5ikrA-3ioyA:
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.
3khn MOTB PROTEIN,
PUTATIVE

(Desulfovibrio
vulgaris) 		PF00691
(OmpA) 		5 VAL A  49
SER A  51
GLY A  65
ALA A  66
LEU A  70
 None
 0.80A 5ikrA-3khnA:
undetectable		 5ikrA-3khnA:
16.64
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.
3lfu DNA HELICASE II

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A  38
LEU A  39
GLY A 247
ALA A  29
LEU A 279
 None
 1.13A 5ikrA-3lfuA:
undetectable		 5ikrA-3lfuA:
20.99
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.
3m0o MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
B-0618) 		PF01266
(DAO) 		5 LEU A  64
VAL A 356
GLY A 354
SER A 351
LEU A  71
 None
 1.01A 5ikrA-3m0oA:
undetectable		 5ikrA-3m0oA:
20.11
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.
3mbr GLUTAMINE
CYCLOTRANSFERASE

(Xanthomonas
campestris) 		PF05096
(Glu_cyclase_2) 		5 VAL X 163
LEU X 170
TRP X 206
ALA X 185
LEU X 183
 None
 1.05A 5ikrA-3mbrX:
undetectable		 5ikrA-3mbrX:
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.
3p41 GERANYLTRANSTRANSFER
ASE

(Pseudomonas
protegens) 		PF00348
(polyprenyl_synt) 		5 LEU A 283
VAL A 189
GLY A 192
ALA A 193
LEU A  58
 None
 0.86A 5ikrA-3p41A:
undetectable		 5ikrA-3p41A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qxf ENDOGLUCANASE

(Escherichia
coli) 		PF01270
(Glyco_hydro_8) 		5 LEU A 163
VAL A 119
GLY A 117
SER A 113
LEU A  93
 None
 1.10A 5ikrA-3qxfA:
undetectable		 5ikrA-3qxfA:
20.21
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 LEU A  75
SER A 167
GLY A 173
ALA A 172
LEU A 125
 None
 1.08A 5ikrA-3rh9A:
undetectable		 5ikrA-3rh9A:
21.72
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.
3s8d COENZYME A
TRANSFERASE

(Yersinia pestis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 VAL A  57
LEU A  27
SER A  28
ALA A  66
LEU A  71
 None
 1.15A 5ikrA-3s8dA:
undetectable		 5ikrA-3s8dA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tpa HEME-BINDING PROTEIN
A

(Glaesserella
parasuis) 		PF00496
(SBP_bac_5) 		5 VAL A  97
VAL A  44
GLY A  56
ALA A  58
LEU A  74
 None
 1.15A 5ikrA-3tpaA:
undetectable		 5ikrA-3tpaA:
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.
3u9l 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF00106
(adh_short) 		5 VAL A  90
LEU A 140
VAL A 251
GLY A 253
LEU A  23
 None
 1.09A 5ikrA-3u9lA:
undetectable		 5ikrA-3u9lA:
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 TYR A 338
TRP A 337
VAL A  82
ALA A  86
LEU A  91
 None
 0.98A 5ikrA-3uw2A:
undetectable		 5ikrA-3uw2A:
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.
3vzb SPHINGOSINE KINASE 1

(Homo sapiens) 		PF00781
(DAGK_cat) 		5 LEU A 263
GLY A 269
ALA A 115
SER A 119
LEU A 116
 None
None
SQS  A 401 ( 4.8A)
None
None
 1.05A 5ikrA-3vzbA:
undetectable		 5ikrA-3vzbA:
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.
3zou FARNESYL
PYROPHOSPHATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00348
(polyprenyl_synt) 		5 LEU A 283
VAL A 189
GLY A 192
ALA A 193
LEU A  58
 None
 0.95A 5ikrA-3zouA:
undetectable		 5ikrA-3zouA:
20.40
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.
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.10A 5ikrA-4c13A:
undetectable		 5ikrA-4c13A:
21.03
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.
4c8g 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Burkholderia
cenocepacia) 		PF02542
(YgbB) 		5 VAL A  96
SER A  98
GLY A   6
ALA A  49
LEU A  50
 None
 1.11A 5ikrA-4c8gA:
undetectable		 5ikrA-4c8gA:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4czp EXTRALONG MANGANESE
PEROXIDASE

(Gelatoporia
subvermispora) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 VAL A  28
LEU A  29
VAL A 112
GLY A 110
ALA A 109
 None
 1.10A 5ikrA-4czpA:
undetectable		 5ikrA-4czpA:
21.95
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.
4czp EXTRALONG MANGANESE
PEROXIDASE

(Gelatoporia
subvermispora) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 VAL A  28
VAL A 112
GLY A 110
ALA A 109
LEU A  90
 None
 1.07A 5ikrA-4czpA:
undetectable		 5ikrA-4czpA:
21.95
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.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 VAL A 147
LEU A 148
GLY A 191
ALA A 192
LEU A 139
 None
 0.97A 5ikrA-4dwqA:
undetectable		 5ikrA-4dwqA:
21.08
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.
4f6c AUSA REDUCTASE
DOMAIN PROTEIN

(Staphylococcus
aureus) 		PF07993
(NAD_binding_4) 		5 VAL A2229
TYR A2203
GLY A2133
ALA A2132
LEU A2056
 None
 1.12A 5ikrA-4f6cA:
undetectable		 5ikrA-4f6cA:
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.
4frf INOSITOL
POLYPHOSPHATE
MULTIKINASE ALPHA

(Arabidopsis
thaliana) 		PF03770
(IPK) 		5 LEU A 155
SER A 135
GLY A 162
ALA A 163
LEU A 167
 None
 1.15A 5ikrA-4frfA:
undetectable		 5ikrA-4frfA:
18.66
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.
4heq FLAVODOXIN

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1) 		5 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 0.98A 5ikrA-4heqA:
undetectable		 5ikrA-4heqA:
14.63
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		5 VAL A  79
GLY A  81
ALA A  83
SER A  85
LEU A  86
 None
 0.79A 5ikrA-4j9uA:
0.0		 5ikrA-4j9uA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 LEU A 155
SER A 154
VAL A 435
GLY A 411
ALA A 412
 None
 1.00A 5ikrA-4j9vA:
undetectable		 5ikrA-4j9vA:
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.
4ky0 PROTON/GLUTAMATE
SYMPORTER, SDF
FAMILY

(Thermococcus
kodakarensis) 		PF00375
(SDF) 		5 VAL A 153
LEU A 154
GLY A 309
ALA A 310
LEU A 284
 None
 1.12A 5ikrA-4ky0A:
undetectable		 5ikrA-4ky0A:
22.86
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.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		5 VAL A 153
SER A 155
GLY A  92
ALA A  91
LEU A 200
 None
 1.12A 5ikrA-4m3nA:
undetectable		 5ikrA-4m3nA:
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.
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		5 VAL A 121
GLY A 103
ALA A 102
SER A 100
LEU A  34
 VAL  A 121 ( 0.6A)
GLY  A 103 ( 0.0A)
ALA  A 102 ( 0.0A)
SER  A 100 ( 0.0A)
LEU  A  34 ( 0.6A)
 1.17A 5ikrA-4mwtA:
undetectable		 5ikrA-4mwtA:
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.
4mzu WXCM-LIKE PROTEIN

(Shewanella
denitrificans) 		PF00132
(Hexapep)
PF05523
(FdtA) 		5 ARG A 205
TYR A 291
TYR A 260
ALA A 282
SER A 283
 TYD  A 402 (-3.6A)
None
None
None
None
 1.11A 5ikrA-4mzuA:
undetectable		 5ikrA-4mzuA:
18.77
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.
4oye 425AA LONG
HYPOTHETICAL PROTON
GLUTAMATE SYMPORT
PROTEIN

(Pyrococcus
horikoshii) 		PF00375
(SDF) 		5 VAL A 151
LEU A 152
GLY A 306
ALA A 307
LEU A 282
 None
 1.11A 5ikrA-4oyeA:
undetectable		 5ikrA-4oyeA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pfs COBYRINIC ACID
A,C-DIAMIDE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF13614
(AAA_31) 		5 VAL A 165
LEU A 169
GLY A 187
ALA A 188
LEU A 155
 None
 1.14A 5ikrA-4pfsA:
undetectable		 5ikrA-4pfsA:
19.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 ARG A 121
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.61A 5ikrA-4ph9A:
63.0		 5ikrA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 ARG A 121
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.33A 5ikrA-4ph9A:
63.0		 5ikrA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
 IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.72A 5ikrA-4ph9A:
63.0		 5ikrA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.50A 5ikrA-4ph9A:
63.0		 5ikrA-4ph9A:
88.02
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 VAL A 544
LEU A 547
SER A 548
VAL A 584
ALA A 587
 None
 1.16A 5ikrA-4xriA:
0.6		 5ikrA-4xriA:
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.
4z7y DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Sulfolobus
solfataricus) 		PF00288
(GHMP_kinases_N) 		5 VAL A  92
TYR A  72
VAL A  45
ALA A 113
SER A 117
 None
 1.16A 5ikrA-4z7yA:
undetectable		 5ikrA-4z7yA:
17.38
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.
5a62 PUTATIVE ALPHA/BETA
HYDROLASE FOLD
PROTEIN

(Candidatus
Nitrososphaera
gargensis) 		PF00561
(Abhydrolase_1) 		5 ARG A 207
VAL A 213
VAL A 203
GLY A 205
SER A 209
 None
 0.98A 5ikrA-5a62A:
undetectable		 5ikrA-5a62A:
20.61
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.
5c3u L-SERINE
AMMONIA-LYASE

(Rhizomucor
miehei) 		PF00291
(PALP) 		5 VAL A 258
GLY A 283
ALA A 285
SER A 287
LEU A 288
 None
 1.15A 5ikrA-5c3uA:
undetectable		 5ikrA-5c3uA:
20.58
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.
5cyr RNA-DEPENDENT RNA
POLYMERASE

(Thosea asigna
virus) 		no annotation 5 VAL B 389
GLY B 302
ALA B 303
SER B 299
LEU B 194
 None
 1.17A 5ikrA-5cyrB:
undetectable		 5ikrA-5cyrB:
20.58
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.
5ejy MYOSIN-I HEAVY CHAIN

(Dictyostelium
discoideum) 		PF00784
(MyTH4) 		5 SER A 149
VAL A 199
ALA A 203
SER A 206
LEU A 186
 None
 1.13A 5ikrA-5ejyA:
undetectable		 5ikrA-5ejyA:
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.
5fii PHENYLALANINE-4-HYDR
OXYLASE

(Homo sapiens) 		PF01842
(ACT) 		5 VAL A  51
LEU A  54
GLY A 103
ALA A 104
LEU A  41
 None
 1.17A 5ikrA-5fiiA:
undetectable		 5ikrA-5fiiA:
12.69
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.
5gl6 RIBOSOME MATURATION
FACTOR RIMP

(Mycolicibacterium
smegmatis) 		PF02576
(DUF150)
PF17384
(DUF150_C) 		5 VAL A  19
LEU A  22
GLY A  72
ALA A  70
LEU A  86
 None
 1.17A 5ikrA-5gl6A:
undetectable		 5ikrA-5gl6A:
15.44
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.
5ipx ORF49 PROTEIN

(Human
gammaherpesvirus
8) 		PF04793
(Herpes_BBRF1) 		5 ARG A 160
VAL A 153
GLY A 154
ALA A 155
LEU A 159
 SO4  A 402 (-4.1A)
None
None
None
None
 1.06A 5ikrA-5ipxA:
0.8		 5ikrA-5ipxA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldx NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
11

(Bos taurus) 		PF02466
(Tim17) 		5 VAL Y   4
LEU Y   5
GLY Y  28
ALA Y  30
SER Y  26
 None
 1.15A 5ikrA-5ldxY:
undetectable		 5ikrA-5ldxY:
13.27
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.
5mlz DOLICHOL
MONOPHOSPHATE
MANNOSE SYNTHASE

(Pyrococcus
furiosus) 		PF00535
(Glycos_transf_2)
PF04138
(GtrA) 		5 VAL A 156
VAL A 141
GLY A 137
ALA A 138
SER A 135
 None
 1.17A 5ikrA-5mlzA:
undetectable		 5ikrA-5mlzA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nzg UDP-GLUCOSE
PYROPHOSPHORYLASE

(Leishmania
major) 		no annotation 6 SER A  57
TYR A 234
VAL A 370
ALA A 368
SER A 367
LEU A 280
 None
 1.25A 5ikrA-5nzgA:
undetectable		 5ikrA-5nzgA:
9.47
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.
5tp4 AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Burkholderia
ambifaria) 		PF01546
(Peptidase_M20) 		5 ARG A  93
VAL A  97
LEU A 101
TRP A  49
ALA A  20
 EDO  A 506 (-3.6A)
None
None
None
EDO  A 506 ( 4.9A)
 1.11A 5ikrA-5tp4A:
undetectable		 5ikrA-5tp4A:
20.54
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.
5uld TRANSPORTER, NADC
FAMILY

(Vibrio cholerae) 		PF00939
(Na_sulph_symp) 		5 LEU A 270
VAL A 295
GLY A 298
ALA A 299
LEU A 303
 None
 0.90A 5ikrA-5uldA:
undetectable		 5ikrA-5uldA:
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.
5vym BETA-GALACTOSIDASE
BGAB

(Bifidobacterium
adolescentis) 		PF08532
(Glyco_hydro_42M) 		5 LEU A 119
TYR A 107
GLY A 109
ALA A 110
LEU A  69
 None
 1.13A 5ikrA-5vymA:
undetectable		 5ikrA-5vymA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 5 VAL A 434
SER A 433
VAL A 463
GLY A 476
ALA A 477
 None
 1.14A 5ikrA-5xilA:
undetectable		 5ikrA-5xilA:
9.38
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 LEU C 316
SER C 314
ALA C 362
SER C 360
LEU C 359
 None
 0.99A 5ikrA-5y3rC:
undetectable		 5ikrA-5y3rC:
8.99
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.
6d6k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Acinetobacter
baumannii) 		no annotation 5 LEU A 380
VAL A 445
GLY A 447
SER A 451
LEU A 452
 None
 1.13A 5ikrA-6d6kA:
undetectable		 5ikrA-6d6kA:
8.30