SIMILAR PATTERNS OF AMINO ACIDS FOR 4RRW_A_LURA705

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
 1.17A 4rrwA-1b3bA:
0.0		 4rrwA-1b3bA:
20.55
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 VAL A 349
LEU A 352
SER A 353
TYR A 355
TYR A 385
TRP A 387
MET A 522
GLY A 526
ALA A 527
LEU A 531
 SCL  A 700 ( 4.6A)
SCL  A 700 ( 4.8A)
None
SCL  A 700 (-4.3A)
None
None
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 (-4.1A)
 0.56A 4rrwA-1ebvA:
58.1		 4rrwA-1ebvA:
64.26
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 283
SER A 280
MET A 304
VAL A 305
LEU A 312
 None
 1.09A 4rrwA-1h17A:
0.0		 4rrwA-1h17A:
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.
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)
 1.08A 4rrwA-1h17A:
0.0		 4rrwA-1h17A:
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.
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
 1.11A 4rrwA-1hrdA:
undetectable		 4rrwA-1hrdA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 4rrwA-1iugA:
undetectable		 4rrwA-1iugA:
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.
1jhd SULFATE
ADENYLYLTRANSFERASE

(Sulfur-oxidizing
endosymbiont of
Riftia
pachyptila) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 MET A  46
VAL A  45
GLY A  42
ALA A  41
SER A  38
 None
None
None
None
BR  A2007 (-4.8A)
 1.07A 4rrwA-1jhdA:
undetectable		 4rrwA-1jhdA:
19.61
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.
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
 0.95A 4rrwA-1jy1A:
0.0		 4rrwA-1jy1A:
22.93
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.
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
 1.01A 4rrwA-1lzkA:
0.0		 4rrwA-1lzkA:
20.87
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.
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
 0.98A 4rrwA-1nj8A:
0.0		 4rrwA-1nj8A:
21.23
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.
1nq3 14.3 KDA PERCHLORIC
ACID SOLUBLE PROTEIN

(Capra hircus) 		PF01042
(Ribonuc_L-PSP) 		5 VAL A  81
LEU A  83
VAL A  51
ALA A  55
LEU A  59
 None
 1.15A 4rrwA-1nq3A:
undetectable		 4rrwA-1nq3A:
13.23
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
 1.10A 4rrwA-1odiA:
undetectable		 4rrwA-1odiA:
16.98
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.
1oni 14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN

(Homo sapiens) 		PF01042
(Ribonuc_L-PSP) 		5 VAL A  81
LEU A  83
VAL A  51
ALA A  55
LEU A  59
 None
 1.17A 4rrwA-1oniA:
undetectable		 4rrwA-1oniA:
12.27
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.
1orf GRANZYME A

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A 155
TYR A  29
GLY A  44
ALA A  43
SER A 197
 None
 1.08A 4rrwA-1orfA:
undetectable		 4rrwA-1orfA:
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT
QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
9 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF08992
(QH-AmDH_gamma)
no annotation 		5 SER B 324
GLY C  60
ALA C  61
SER C  58
LEU C  71
 None
 1.18A 4rrwA-1pbyB:
undetectable		 4rrwA-1pbyB:
22.00
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.
1q6w MONOAMINE OXIDASE
REGULATORY PROTEIN,
PUTATIVE

(Archaeoglobus
fulgidus) 		PF01575
(MaoC_dehydratas) 		5 VAL A 138
LEU A 136
SER A 116
VAL A  79
GLY A  77
 None
 1.07A 4rrwA-1q6wA:
undetectable		 4rrwA-1q6wA:
13.99
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.
1qah PERCHLORIC ACID
SOLUBLE PROTEIN

(Rattus
norvegicus) 		PF01042
(Ribonuc_L-PSP) 		5 VAL A  80
LEU A  82
VAL A  50
ALA A  54
LEU A  58
 None
 1.13A 4rrwA-1qahA:
undetectable		 4rrwA-1qahA:
12.89
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.
1rrv GLYCOSYLTRANSFERASE
GTFD

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 VAL A  46
LEU A  43
VAL A  14
GLY A  17
LEU A 219
 VAL  A  46 ( 0.6A)
LEU  A  43 ( 0.6A)
VAL  A  14 ( 0.6A)
GLY  A  17 ( 0.0A)
LEU  A 219 ( 0.6A)
 1.01A 4rrwA-1rrvA:
1.8		 4rrwA-1rrvA:
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.
1sez PROTOPORPHYRINOGEN
OXIDASE,
MITOCHONDRIAL

(Nicotiana
tabacum) 		PF01593
(Amino_oxidase) 		5 VAL A 332
VAL A 173
GLY A 175
ALA A 174
LEU A 369
 None
None
OMN  A 601 (-3.6A)
None
OMN  A 601 (-3.7A)
 1.06A 4rrwA-1sezA:
undetectable		 4rrwA-1sezA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1taq TAQ DNA POLYMERASE

(Thermus
aquaticus) 		PF00476
(DNA_pol_A)
PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N)
PF09281
(Taq-exonuc) 		5 LEU A 622
MET A 751
GLY A 755
ALA A 757
LEU A 760
 None
 1.18A 4rrwA-1taqA:
undetectable		 4rrwA-1taqA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1te4 CONSERVED PROTEIN
MTH187

(Methanothermobacter
thermautotrophicus) 		PF13646
(HEAT_2) 		5 LEU A  31
VAL A  69
GLY A  72
ALA A  73
SER A  76
 None
 1.17A 4rrwA-1te4A:
undetectable		 4rrwA-1te4A:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1te4 CONSERVED PROTEIN
MTH187

(Methanothermobacter
thermautotrophicus) 		PF13646
(HEAT_2) 		5 VAL A  69
GLY A  72
ALA A  73
SER A  76
LEU A  58
 None
 1.18A 4rrwA-1te4A:
undetectable		 4rrwA-1te4A:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 VAL A1188
LEU A1190
VAL A1035
GLY A1034
LEU A1025
 None
 1.15A 4rrwA-1tllA:
1.0		 4rrwA-1tllA:
20.56
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 VAL A 332
VAL A 216
GLY A 214
ALA A 213
SER A 239
 None
 1.18A 4rrwA-1ukcA:
undetectable		 4rrwA-1ukcA:
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.
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
 1.08A 4rrwA-2a0uA:
0.0		 4rrwA-2a0uA:
20.70
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.
2cw6 HYDROXYMETHYLGLUTARY
L-COA LYASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like) 		5 LEU A 299
GLY A 262
ALA A 277
SER A 258
LEU A 276
 None
 1.11A 4rrwA-2cw6A:
undetectable		 4rrwA-2cw6A:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 4rrwA-2cw6A:
undetectable		 4rrwA-2cw6A:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 4rrwA-2dphA:
undetectable		 4rrwA-2dphA:
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.
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
 1.12A 4rrwA-2dstA:
undetectable		 4rrwA-2dstA:
11.41
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.
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
 1.18A 4rrwA-2ftpA:
undetectable		 4rrwA-2ftpA:
19.56
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.
2h3g BIOSYNTHETIC PROTEIN

(Bacillus
anthracis) 		PF03309
(Pan_kinase) 		5 VAL X  43
LEU X  47
MET X   1
VAL X  57
LEU X   5
 None
 1.12A 4rrwA-2h3gX:
undetectable		 4rrwA-2h3gX:
17.53
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.
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
 0.97A 4rrwA-2i34A:
undetectable		 4rrwA-2i34A:
17.60
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.
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
 1.14A 4rrwA-2j6iA:
undetectable		 4rrwA-2j6iA:
19.70
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.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 LEU A 176
MET A 255
VAL A 256
GLY A 258
ALA A 260
 None
 0.74A 4rrwA-2jg5A:
undetectable		 4rrwA-2jg5A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 4rrwA-2pblA:
undetectable		 4rrwA-2pblA:
17.70
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.
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
 1.14A 4rrwA-2pjrA:
undetectable		 4rrwA-2pjrA:
22.92
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.
2r7d RIBONUCLEASE II
FAMILY PROTEIN

(Deinococcus
radiodurans) 		PF00773
(RNB) 		5 VAL A 120
LEU A 173
SER A 174
GLY A 274
ALA A 273
 None
 1.16A 4rrwA-2r7dA:
undetectable		 4rrwA-2r7dA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 4rrwA-2ru4A:
undetectable		 4rrwA-2ru4A:
11.87
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.
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
 0.92A 4rrwA-2wskA:
undetectable		 4rrwA-2wskA:
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.
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
 0.89A 4rrwA-2xecA:
undetectable		 4rrwA-2xecA:
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.
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)
 1.04A 4rrwA-2xn8A:
undetectable		 4rrwA-2xn8A:
22.50
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.
2yib RNA-DIRECTED RNA
POLYMERASE

(Infectious
pancreatic
necrosis virus) 		PF04197
(Birna_RdRp) 		5 VAL D 611
LEU D 653
GLY D 603
ALA D 604
LEU D 593
 None
 1.04A 4rrwA-2yibD:
undetectable		 4rrwA-2yibD:
20.92
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.
2ylz PHENYLACETONE
MONOOXYGENASE

(Thermobifida
fusca) 		PF13738
(Pyr_redox_3) 		5 LEU A 146
VAL A  21
GLY A  23
ALA A 149
SER A 150
 None
None
FAD  A 700 (-3.3A)
None
FAD  A 700 (-4.9A)
 1.13A 4rrwA-2ylzA:
undetectable		 4rrwA-2ylzA:
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.
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 4rrwA-2ynmA:
undetectable		 4rrwA-2ynmA:
21.21
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.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		5 LEU A 593
VAL A 546
GLY A 548
ALA A 551
LEU A 555
 None
 1.13A 4rrwA-2ziuA:
undetectable		 4rrwA-2ziuA:
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.
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
 1.14A 4rrwA-3ab4A:
undetectable		 4rrwA-3ab4A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3et5 OUTER MEMBRANE
PROTEIN P4, NADP
PHOSPHATASE

(Haemophilus
influenzae) 		PF03767
(Acid_phosphat_B) 		5 VAL A 179
LEU A 216
VAL A 103
GLY A 105
ALA A 106
 None
 0.95A 4rrwA-3et5A:
undetectable		 4rrwA-3et5A:
18.90
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.
3fnb ACYLAMINOACYL
PEPTIDASE SMU_737

(Streptococcus
mutans) 		PF12146
(Hydrolase_4) 		5 VAL A 390
LEU A 334
GLY A 231
ALA A 230
LEU A 176
 None
 1.17A 4rrwA-3fnbA:
undetectable		 4rrwA-3fnbA:
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.
3fq6 METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00590
(TP_methylase) 		5 LEU A 199
SER A 198
GLY A 221
ALA A 220
LEU A 124
 None
 1.17A 4rrwA-3fq6A:
undetectable		 4rrwA-3fq6A:
13.20
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.
3h2z MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Shigella
flexneri) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		5 LEU A 226
VAL A 248
GLY A 250
ALA A 251
LEU A 324
 None
 1.09A 4rrwA-3h2zA:
undetectable		 4rrwA-3h2zA:
20.03
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.
3i5p NUCLEOPORIN NUP170

(Saccharomyces
cerevisiae) 		PF03177
(Nucleoporin_C) 		5 LEU A1307
VAL A1268
GLY A1270
ALA A1269
LEU A1229
 None
 1.00A 4rrwA-3i5pA:
undetectable		 4rrwA-3i5pA:
21.39
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.
3iic CHEC DOMAIN PROTEIN

(Shewanella
loihica) 		PF13690
(CheX) 		5 MET A  95
VAL A  96
GLY A  98
ALA A 100
LEU A 104
 None
 1.11A 4rrwA-3iicA:
undetectable		 4rrwA-3iicA:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 4rrwA-3ikfA:
undetectable		 4rrwA-3ikfA:
14.14
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.
3nip 3-GUANIDINOPROPIONAS
E

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 VAL A 282
MET A 144
VAL A 237
ALA A 280
LEU A 120
 None
 1.13A 4rrwA-3nipA:
undetectable		 4rrwA-3nipA:
18.71
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.
3oth CALG1

(Micromonospora
echinospora) 		PF00201
(UDPGT)
PF03033
(Glyco_transf_28) 		5 LEU A   8
SER A   7
GLY A 122
ALA A 123
LEU A 102
 None
 1.18A 4rrwA-3othA:
undetectable		 4rrwA-3othA:
18.44
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.
3oth CALG1

(Micromonospora
echinospora) 		PF00201
(UDPGT)
PF03033
(Glyco_transf_28) 		5 LEU A   8
SER A   7
GLY A 124
ALA A 123
LEU A 102
 None
 1.17A 4rrwA-3othA:
undetectable		 4rrwA-3othA:
18.44
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.
3pzu ENDOGLUCANASE

(Bacillus
subtilis) 		PF00150
(Cellulase) 		5 VAL A  74
LEU A  79
VAL A 126
ALA A  93
LEU A  67
 None
 1.05A 4rrwA-3pzuA:
undetectable		 4rrwA-3pzuA:
18.88
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.
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
 1.12A 4rrwA-3rh9A:
undetectable		 4rrwA-3rh9A:
21.50
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.
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
 1.13A 4rrwA-3tpaA:
undetectable		 4rrwA-3tpaA:
22.71
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.
3ts0 PROTEIN LIN-28
HOMOLOG A

(Mus musculus) 		PF00098
(zf-CCHC)
PF00313
(CSD) 		5 LEU A  66
VAL A  64
GLY A  63
ALA A  62
LEU A  38
 None
 1.12A 4rrwA-3ts0A:
undetectable		 4rrwA-3ts0A:
12.78
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.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		5 VAL A 744
LEU A 746
VAL A 757
ALA A 761
LEU A 764
 None
 1.18A 4rrwA-3tsyA:
undetectable		 4rrwA-3tsyA:
20.97
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.
3tx8 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Corynebacterium
glutamicum) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 VAL A 270
LEU A 274
MET A 251
VAL A 183
LEU A 179
 None
 1.13A 4rrwA-3tx8A:
undetectable		 4rrwA-3tx8A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.03A 4rrwA-3uw2A:
undetectable		 4rrwA-3uw2A:
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.
3zgj 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE

(Streptomyces
coelicolor) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		5 VAL A 259
LEU A 337
SER A  91
ALA A  22
LEU A  95
 None
 1.10A 4rrwA-3zgjA:
undetectable		 4rrwA-3zgjA:
20.03
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.
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
 1.06A 4rrwA-4c13A:
undetectable		 4rrwA-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.09A 4rrwA-4c8gA:
undetectable		 4rrwA-4c8gA:
14.97
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.
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
 1.03A 4rrwA-4czpA:
1.3		 4rrwA-4czpA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dnx SULFATE
ADENYLYLTRANSFERASE

(Allochromatium
vinosum) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 MET A  46
VAL A  45
GLY A  42
ALA A  41
SER A  38
 None
 1.04A 4rrwA-4dnxA:
undetectable		 4rrwA-4dnxA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.09A 4rrwA-4dwqA:
undetectable		 4rrwA-4dwqA:
20.35
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.
4etz PELD

(Pseudomonas
aeruginosa) 		PF13492
(GAF_3)
PF16963
(PelD_GGDEF) 		5 VAL A 188
LEU A 192
GLY A 301
ALA A 304
LEU A 307
 None
 1.15A 4rrwA-4etzA:
undetectable		 4rrwA-4etzA:
19.55
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.
4f6c AUSA REDUCTASE
DOMAIN PROTEIN

(Staphylococcus
aureus) 		PF07993
(NAD_binding_4) 		5 VAL A2229
TYR A2203
GLY A2133
ALA A2132
LEU A2056
 None
 1.08A 4rrwA-4f6cA:
undetectable		 4rrwA-4f6cA:
21.31
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.
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
 0.83A 4rrwA-4j9uA:
3.5		 4rrwA-4j9uA:
21.63
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.
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
 1.16A 4rrwA-4j9vA:
undetectable		 4rrwA-4j9vA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 4rrwA-4m3nA:
undetectable		 4rrwA-4m3nA:
18.72
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.
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 4rrwA-4pfsA:
undetectable		 4rrwA-4pfsA:
18.15
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) 		11 VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
MET A 523
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
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.56A 4rrwA-4ph9A:
63.7		 4rrwA-4ph9A:
99.46
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) 		11 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
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 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.73A 4rrwA-4ph9A:
63.7		 4rrwA-4ph9A:
99.46
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 VAL A 673
LEU A 677
SER A 681
ALA A 647
LEU A 650
 None
 1.02A 4rrwA-4xriA:
undetectable		 4rrwA-4xriA:
20.56
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.
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
 1.08A 4rrwA-4z7yA:
undetectable		 4rrwA-4z7yA:
18.81
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.
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 4rrwA-5c3uA:
undetectable		 4rrwA-5c3uA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cbk SHHTL5

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		5 LEU A  70
VAL A 103
GLY A 101
ALA A 102
SER A  98
 None
 1.07A 4rrwA-5cbkA:
undetectable		 4rrwA-5cbkA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.16A 4rrwA-5cyrB:
undetectable		 4rrwA-5cyrB:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 4rrwA-5ejyA:
undetectable		 4rrwA-5ejyA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g1d SYNTENIN-1

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 LEU A 131
VAL A 143
GLY A 128
ALA A 149
LEU A 119
 None
 1.18A 4rrwA-5g1dA:
undetectable		 4rrwA-5g1dA:
15.11
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.
5hxf 3C PROTEASE

(Enterovirus A) 		PF00548
(Peptidase_C3) 		5 VAL A 158
LEU A 175
VAL A  31
GLY A  30
LEU A  11
 None
 1.18A 4rrwA-5hxfA:
undetectable		 4rrwA-5hxfA:
15.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		12 VAL A 349
LEU A 352
SER A 353
TYR A 355
TYR A 385
TRP A 387
MET A 522
VAL A 523
GLY A 526
ALA A 527
SER A 530
LEU A 531
 ID8  A 601 (-3.9A)
ID8  A 601 (-4.1A)
ID8  A 601 ( 4.7A)
ID8  A 601 (-3.8A)
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
ID8  A 601 (-4.2A)
ID8  A 601 (-3.6A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
ID8  A 601 (-3.5A)
 0.43A 4rrwA-5ikrA:
62.4		 4rrwA-5ikrA:
87.88
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 VAL A4309
LEU A4312
TRP A4320
GLY A4152
ALA A4155
 None
 1.01A 4rrwA-5nugA:
undetectable		 4rrwA-5nugA:
8.64
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.
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
 1.26A 4rrwA-5nzgA:
undetectable		 4rrwA-5nzgA:
9.19
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.
5tii 3-OXOACYL-ACP
REDUCTASE

(uncultured
bacterium) 		PF13561
(adh_short_C2) 		5 VAL A  92
VAL A 225
GLY A 227
ALA A 226
LEU A  29
 None
 1.11A 4rrwA-5tiiA:
undetectable		 4rrwA-5tiiA:
18.71
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.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN

(Burkholderia
ambifaria) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 TYR A 110
GLY A 320
ALA A 184
SER A 188
LEU A 189
 None
 0.89A 4rrwA-5tnxA:
undetectable		 4rrwA-5tnxA:
19.87
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.
5uqd DUMPY: SHORTER THAN
WILD-TYPE

(Caenorhabditis
elegans) 		no annotation 5 VAL A1528
LEU A1577
VAL A1292
GLY A1291
LEU A1587
 None
 1.13A 4rrwA-5uqdA:
undetectable		 4rrwA-5uqdA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 5 VAL A 946
LEU A 950
TYR A 943
GLY A 927
LEU A 905
 None
 1.10A 4rrwA-5ve8A:
undetectable		 4rrwA-5ve8A:
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.
5veb CADHERIN-6

(Homo sapiens) 		PF00028
(Cadherin) 		5 VAL X 568
LEU X 527
SER X 526
GLY X 548
ALA X 547
 None
 0.99A 4rrwA-5vebX:
undetectable		 4rrwA-5vebX:
10.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.88A 4rrwA-5vymA:
undetectable		 4rrwA-5vymA:
17.29
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.
5vym BETA-GALACTOSIDASE
BGAB

(Bifidobacterium
adolescentis) 		PF08532
(Glyco_hydro_42M) 		5 VAL A  89
LEU A 119
TYR A 107
GLY A 109
LEU A  69
 None
 1.00A 4rrwA-5vymA:
undetectable		 4rrwA-5vymA:
17.29
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.
5wy3 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 VAL A 308
LEU A 278
GLY A 284
ALA A 283
LEU A 335
 None
 0.92A 4rrwA-5wy3A:
undetectable		 4rrwA-5wy3A:
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.
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
 1.17A 4rrwA-5xilA:
undetectable		 4rrwA-5xilA:
8.80
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.
5yem CATALASE

(Mycothermus
thermophilus) 		no annotation 5 LEU A 564
VAL A 610
GLY A 612
ALA A 613
LEU A 616
 None
 1.13A 4rrwA-5yemA:
1.4		 4rrwA-5yemA:
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 5 LEU C1098
VAL C1143
GLY C1146
SER C1150
LEU C1151
 None
 1.02A 4rrwA-6en4C:
1.0		 4rrwA-6en4C:
10.97
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.
6g3d ARGININOSUCCINATE
LYASE

(Chelativorans
sp. BNC1) 		no annotation 5 VAL A  51
LEU A  60
SER A  65
VAL A 102
GLY A 104
 None
 0.91A 4rrwA-6g3dA:
undetectable		 4rrwA-6g3dA:
10.60