SIMILAR PATTERNS OF AMINO ACIDS FOR 4RRW_C_LURC705

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
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) 		9 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 ( 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)
 0.55A 4rrwC-1ebvA:
58.1		 4rrwC-1ebvA:
64.26
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) 		7 VAL A 349
SER A 353
TYR A 355
LEU A 384
GLY A 526
ALA A 527
LEU A 531
 SCL  A 700 ( 4.6A)
None
SCL  A 700 (-4.3A)
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 (-4.1A)
 0.64A 4rrwC-1ebvA:
58.1		 4rrwC-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.
1f2h TUMOR NECROSIS
FACTOR RECEPTOR TYPE
1 ASSOCIATED DEATH
DOMAIN PROTEIN

(Homo sapiens) 		PF09034
(TRADD_N) 		5 VAL A  58
LEU A  59
SER A  55
LEU A  87
GLY A  84
 None
 1.01A 4rrwC-1f2hA:
undetectable		 4rrwC-1f2hA:
12.59
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.
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 4rrwC-1h17A:
undetectable		 4rrwC-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.
1h4l CELL DIVISION
PROTEIN KINASE 5

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 267
GLY A 189
ALA A 188
SER A 187
LEU A 127
 None
 1.02A 4rrwC-1h4lA:
0.0		 4rrwC-1h4lA:
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.
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
 1.09A 4rrwC-1iugA:
0.0		 4rrwC-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.
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
 0.93A 4rrwC-1jy1A:
0.0		 4rrwC-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
 1.03A 4rrwC-1lzkA:
0.0		 4rrwC-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.
1mo2 ERYTHRONOLIDE
SYNTHASE, MODULES 5
AND 6

(Saccharopolyspora
erythraea) 		PF00975
(Thioesterase) 		5 LEU A 212
LEU A 206
GLY A 207
ALA A  39
SER A  42
 None
 1.06A 4rrwC-1mo2A:
0.0		 4rrwC-1mo2A:
19.02
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.
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
 0.97A 4rrwC-1nj8A:
undetectable		 4rrwC-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.
1orf GRANZYME A

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A 155
TYR A  29
GLY A  44
ALA A  43
SER A 197
 None
 1.06A 4rrwC-1orfA:
undetectable		 4rrwC-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.
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
 1.09A 4rrwC-1q6wA:
undetectable		 4rrwC-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.
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)
 1.03A 4rrwC-1rrvA:
1.8		 4rrwC-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.
1umf CHORISMATE SYNTHASE

(Helicobacter
pylori) 		PF01264
(Chorismate_synt) 		5 LEU A 341
VAL A 133
GLY A 136
ALA A 137
LEU A  38
 None
 1.00A 4rrwC-1umfA:
undetectable		 4rrwC-1umfA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Thermotoga
maritima) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A  74
GLY A   8
ALA A   9
SER A  34
LEU A  55
 None
 1.06A 4rrwC-1vknA:
undetectable		 4rrwC-1vknA:
21.66
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.
1wz8 ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		5 LEU A 236
VAL A 153
GLY A 149
ALA A 148
LEU A 142
 None
 1.08A 4rrwC-1wz8A:
undetectable		 4rrwC-1wz8A:
19.25
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.
1yul PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF01467
(CTP_transf_like) 		5 VAL A  92
LEU A  96
LEU A  32
GLY A   6
LEU A  38
 None
 1.07A 4rrwC-1yulA:
undetectable		 4rrwC-1yulA:
17.17
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.
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 4rrwC-2a0uA:
0.0		 4rrwC-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.
2ch6 N-ACETYL-D-GLUCOSAMI
NE KINASE

(Homo sapiens) 		PF01869
(BcrAD_BadFG) 		5 LEU A  75
SER A  76
LEU A 318
GLY A 110
SER A 311
 None
 1.03A 4rrwC-2ch6A:
undetectable		 4rrwC-2ch6A:
19.77
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.
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
 0.86A 4rrwC-2dphA:
undetectable		 4rrwC-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  26
LEU A   9
VAL A  70
GLY A  72
ALA A  71
 None
 1.03A 4rrwC-2dstA:
undetectable		 4rrwC-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.
2ejb PROBABLE AROMATIC
ACID DECARBOXYLASE

(Aquifex
aeolicus) 		PF02441
(Flavoprotein) 		5 SER A  75
LEU A 121
VAL A 113
GLY A 111
LEU A 106
 None
 1.02A 4rrwC-2ejbA:
undetectable		 4rrwC-2ejbA:
16.04
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.
2hi1 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 2

(Salmonella
enterica) 		PF04166
(PdxA) 		5 VAL A 155
VAL A 187
GLY A 189
ALA A 191
LEU A 195
 None
 1.07A 4rrwC-2hi1A:
undetectable		 4rrwC-2hi1A:
20.94
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.
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 4rrwC-2i34A:
undetectable		 4rrwC-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.
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 4rrwC-2pblA:
undetectable		 4rrwC-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.
2ppl PANCREATIC
LIPASE-RELATED
PROTEIN 1

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 LEU A 209
VAL A 176
GLY A 178
ALA A 180
SER A 182
 None
None
CA  A 478 ( 4.9A)
None
None
 0.92A 4rrwC-2pplA:
undetectable		 4rrwC-2pplA:
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.
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 4rrwC-2ru4A:
undetectable		 4rrwC-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.
2vos FOLYLPOLYGLUTAMATE
SYNTHASE PROTEIN
FOLC

(Mycobacterium
tuberculosis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 103
VAL A 475
GLY A 478
ALA A 479
LEU A 483
 None
 0.95A 4rrwC-2vosA:
undetectable		 4rrwC-2vosA:
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.
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
 0.93A 4rrwC-2wskA:
0.0		 4rrwC-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
 0.91A 4rrwC-2xecA:
undetectable		 4rrwC-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)
 1.05A 4rrwC-2xn8A:
undetectable		 4rrwC-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.
2yfk ASPARTATE/ORNITHINE
CARBAMOYLTRANSFERASE

(Enterococcus
faecalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A 156
SER A 138
LEU A  92
ALA A 109
SER A 113
 None
 1.08A 4rrwC-2yfkA:
undetectable		 4rrwC-2yfkA:
23.99
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.
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
 1.06A 4rrwC-2yibD:
undetectable		 4rrwC-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.
2yxz THIAMIN-MONOPHOSPHAT
E KINASE

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 VAL A 134
LEU A 132
VAL A 105
GLY A 107
ALA A 108
 None
 1.08A 4rrwC-2yxzA:
undetectable		 4rrwC-2yxzA:
20.68
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.
3dfa CALCIUM-DEPENDENT
PROTEIN KINASE
CGD3_920

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 LEU A 244
GLY A 192
ALA A 191
SER A 190
LEU A 130
 None
 1.08A 4rrwC-3dfaA:
undetectable		 4rrwC-3dfaA:
18.89
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.
3dqq PUTATIVE TRNA
SYNTHASE

(Salmonella
enterica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 VAL A 219
LEU A 117
GLY A 224
ALA A 226
LEU A 229
 None
 1.08A 4rrwC-3dqqA:
undetectable		 4rrwC-3dqqA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 4rrwC-3et5A:
undetectable		 4rrwC-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.
3f3z CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 LEU A 263
GLY A 211
ALA A 210
SER A 209
LEU A 149
 None
 1.04A 4rrwC-3f3zA:
undetectable		 4rrwC-3f3zA:
19.15
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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A 235
VAL A 267
GLY A 270
SER A 274
LEU A 275
 None
NAD  A 601 (-3.7A)
None
None
None
 0.87A 4rrwC-3glqA:
undetectable		 4rrwC-3glqA:
19.11
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.
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 4rrwC-3h2zA:
undetectable		 4rrwC-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
 1.02A 4rrwC-3i5pA:
undetectable		 4rrwC-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.
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 4rrwC-3ikfA:
undetectable		 4rrwC-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.
3is5 CALCIUM-DEPENDENT
PROTEIN KINASE

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		5 LEU A 374
GLY A 323
ALA A 322
SER A 321
LEU A 261
 None
 0.99A 4rrwC-3is5A:
undetectable		 4rrwC-3is5A:
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.
3oky PLEXIN-A2

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		5 LEU A 483
SER A 499
LEU A 117
GLY A  65
ALA A  66
 None
 1.01A 4rrwC-3okyA:
undetectable		 4rrwC-3okyA:
22.21
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.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 VAL A 322
LEU A 241
GLY A 276
ALA A 278
LEU A 281
 None
 1.09A 4rrwC-3oneA:
undetectable		 4rrwC-3oneA:
19.90
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.
3pg1 MITOGEN-ACTIVATED
PROTEIN KINASE,
PUTATIVE (MAP
KINASE-LIKE PROTEIN)

(Leishmania
major) 		PF00069
(Pkinase) 		5 LEU A 300
GLY A 220
ALA A 219
SER A 218
LEU A 159
 None
 1.10A 4rrwC-3pg1A:
undetectable		 4rrwC-3pg1A:
21.64
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.
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 4rrwC-3pzuA:
undetectable		 4rrwC-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.
3rr1 PUTATIVE
D-GALACTONATE
DEHYDRATASE

(Ralstonia
pickettii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 288
LEU A  18
GLY A  85
ALA A  84
SER A  81
 None
 0.94A 4rrwC-3rr1A:
0.2		 4rrwC-3rr1A:
22.11
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.
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
 1.04A 4rrwC-3uw2A:
undetectable		 4rrwC-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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 LEU A 178
LEU A 481
VAL A 443
GLY A 545
ALA A 444
 None
 1.07A 4rrwC-3viuA:
undetectable		 4rrwC-3viuA:
22.21
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.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 LEU A  93
TYR A  96
GLY A 164
ALA A 165
LEU A 171
 None
FMN  A 500 (-3.4A)
None
None
None
 0.92A 4rrwC-3x0yA:
undetectable		 4rrwC-3x0yA:
20.83
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.
4buc UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Thermotoga
maritima) 		PF08245
(Mur_ligase_M) 		5 LEU A 384
LEU A 362
VAL A 364
ALA A 367
LEU A 341
 None
 1.08A 4rrwC-4bucA:
undetectable		 4rrwC-4bucA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bz0 PUTATIVE TYPE IV
PILUS BIOSYNTHESIS
PROTEIN

(Burkholderia
pseudomallei) 		PF06864
(PAP_PilO) 		5 LEU A  39
LEU A  17
GLY A  56
ALA A  55
LEU A  22
 None
K  A1191 ( 4.1A)
None
None
None
 1.03A 4rrwC-4bz0A:
undetectable		 4rrwC-4bz0A:
16.15
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.
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
 1.07A 4rrwC-4c13A:
undetectable		 4rrwC-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.
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
 1.04A 4rrwC-4czpA:
undetectable		 4rrwC-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.
4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE

(Azoarcus sp.
BH72) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 102
SER A  30
LEU A 136
GLY A   6
ALA A   7
 None
 0.79A 4rrwC-4d5gA:
undetectable		 4rrwC-4d5gA:
21.88
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.
4ej6 PUTATIVE
ZINC-BINDING
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A  31
LEU A 134
VAL A 137
GLY A 139
ALA A 140
 None
 0.99A 4rrwC-4ej6A:
undetectable		 4rrwC-4ej6A:
20.13
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.
4f6c AUSA REDUCTASE
DOMAIN PROTEIN

(Staphylococcus
aureus) 		PF07993
(NAD_binding_4) 		5 VAL A2229
TYR A2203
GLY A2133
ALA A2132
LEU A2056
 None
 1.10A 4rrwC-4f6cA:
undetectable		 4rrwC-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.
4gkl ALPHA-AMYLASE

(Thermotoga
neapolitana) 		PF00128
(Alpha-amylase) 		5 VAL A 100
LEU A 173
TYR A 141
GLY A 172
ALA A 171
 None
 1.06A 4rrwC-4gklA:
undetectable		 4rrwC-4gklA:
20.83
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		6 LEU A 109
VAL A  79
GLY A  81
ALA A  83
SER A  85
LEU A  86
 None
 1.44A 4rrwC-4j9uA:
3.4		 4rrwC-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.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A 233
VAL A 265
GLY A 268
SER A 272
LEU A 273
 None
NAD  A 503 (-3.6A)
None
None
None
 0.78A 4rrwC-4lvcA:
undetectable		 4rrwC-4lvcA:
20.36
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.
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
 1.09A 4rrwC-4m3nA:
undetectable		 4rrwC-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.
4mrq PHOSPHOMANNOMUTASE/P
HOSPHOGLUCOMUTASE

(Pseudomonas
aeruginosa) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A   9
LEU A  68
GLY A  36
ALA A  38
LEU A 143
 None
 0.99A 4rrwC-4mrqA:
undetectable		 4rrwC-4mrqA:
21.66
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) 		9 VAL A 350
LEU A 353
SER A 354
TYR A 356
LEU A 385
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)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.77A 4rrwC-4ph9A:
63.7		 4rrwC-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)
 0.72A 4rrwC-4ph9A:
63.7		 4rrwC-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) 		9 VAL A 350
SER A 354
TYR A 356
LEU A 526
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
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)
 1.32A 4rrwC-4ph9A:
63.7		 4rrwC-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.
4pht TYPE II SECRETION
SYSTEM PROTEIN L

(Vibrio
vulnificus) 		PF05134
(T2SSL) 		5 LEU X  96
VAL X  62
GLY X 112
SER X  99
LEU X 101
 None
 1.06A 4rrwC-4phtX:
undetectable		 4rrwC-4phtX:
16.67
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.
4u8u GLOBIN A CHAIN

(Glossoscolex
paulistus) 		PF00042
(Globin) 		5 VAL A 124
LEU A  68
VAL A  36
GLY A  34
ALA A  35
 None
 1.09A 4rrwC-4u8uA:
undetectable		 4rrwC-4u8uA:
13.12
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.
4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 VAL A 234
LEU A 228
GLY A 243
ALA A 242
SER A 245
 None
None
COA  A 401 ( 4.3A)
COA  A 401 (-3.5A)
COA  A 401 ( 4.0A)
 0.94A 4rrwC-4ubtA:
undetectable		 4rrwC-4ubtA:
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.
4wbh PROTEIN NOTUM
HOMOLOG

(Homo sapiens) 		PF03283
(PAE) 		5 LEU A 146
LEU A 124
GLY A 234
ALA A 233
SER A 232
 None
 1.08A 4rrwC-4wbhA:
undetectable		 4rrwC-4wbhA:
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.
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
 1.01A 4rrwC-4xriA:
undetectable		 4rrwC-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.
4xyd NITRIC-OXIDE
REDUCTASE SUBUNIT B

(Roseobacter
denitrificans) 		PF00115
(COX1) 		5 VAL A 344
LEU A 375
VAL A 426
GLY A 429
ALA A 430
 None
None
HEM  A 501 ( 4.5A)
None
None
 0.95A 4rrwC-4xydA:
undetectable		 4rrwC-4xydA:
21.11
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.
4z3n PUTATIVE DRUG/SODIUM
ANTIPORTER

(Escherichia
coli) 		PF01554
(MatE) 		5 LEU A 424
VAL A 435
GLY A 438
ALA A 439
SER A 417
 None
None
None
OLC  A 501 (-3.3A)
OLC  A 501 (-3.4A)
 1.10A 4rrwC-4z3nA:
undetectable		 4rrwC-4z3nA:
21.35
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.
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 4rrwC-4z7yA:
undetectable		 4rrwC-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.
4zqb NADP-DEPENDENT
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF02826
(2-Hacid_dh_C) 		5 VAL A 176
LEU A 198
GLY A 149
ALA A 150
LEU A 154
 None
 1.05A 4rrwC-4zqbA:
undetectable		 4rrwC-4zqbA:
19.50
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.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 VAL A 240
LEU A 234
GLY A 253
ALA A 252
SER A 255
 None
 0.97A 4rrwC-5bz4A:
undetectable		 4rrwC-5bz4A:
22.26
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.
5cbk SHHTL5

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		6 LEU A  70
LEU A  77
VAL A 103
GLY A 101
ALA A 102
SER A  98
 None
 1.17A 4rrwC-5cbkA:
undetectable		 4rrwC-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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCOP1

(Pseudomonas
stutzeri) 		PF13442
(Cytochrome_CBB3)
PF14715
(FixP_N) 		5 LEU C 301
LEU C 293
VAL C 132
GLY C 135
ALA C 136
 None
 0.94A 4rrwC-5djqC:
undetectable		 4rrwC-5djqC:
20.63
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.
5dwf PEPTIDOGLYCAN
RECOGNITION PROTEIN
1

(Camelus
dromedarius) 		PF01510
(Amidase_2) 		5 TYR A 111
LEU A  80
GLY A  79
ALA A 120
LEU A 121
 None
 1.07A 4rrwC-5dwfA:
undetectable		 4rrwC-5dwfA:
14.48
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.
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
 1.08A 4rrwC-5ejyA:
undetectable		 4rrwC-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.
5ggy IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-COMPOUND-BINDIN
G PROTEIN

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		5 VAL A  67
LEU A 113
VAL A  96
GLY A  76
ALA A  77
 None
 1.01A 4rrwC-5ggyA:
undetectable		 4rrwC-5ggyA:
19.81
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.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 VAL A 365
LEU A 363
LEU A 312
VAL A 297
GLY A 296
 None
 1.10A 4rrwC-5hy7A:
undetectable		 4rrwC-5hy7A:
19.52
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) 		11 VAL A 349
LEU A 352
SER A 353
TYR A 355
TYR A 385
TRP A 387
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 (-3.6A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
ID8  A 601 (-3.5A)
 0.43A 4rrwC-5ikrA:
62.4		 4rrwC-5ikrA:
87.88
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) 		9 VAL A 349
SER A 353
TYR A 355
LEU A 384
VAL A 523
GLY A 526
ALA A 527
SER A 530
LEU A 531
 ID8  A 601 (-3.9A)
ID8  A 601 ( 4.7A)
ID8  A 601 (-3.8A)
ID8  A 601 ( 4.8A)
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)
 0.54A 4rrwC-5ikrA:
62.4		 4rrwC-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.
5in8 ARISTOLOCHENE
SYNTHASE

(Aspergillus
terreus) 		no annotation 6 VAL A 272
LEU A 275
SER A 276
LEU A 190
GLY A 284
ALA A 286
 None
 1.35A 4rrwC-5in8A:
undetectable		 4rrwC-5in8A:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		5 VAL A 205
LEU A 244
VAL A 120
GLY A 122
LEU A 128
 None
 1.04A 4rrwC-5jfmA:
0.4		 4rrwC-5jfmA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l5g PLEXIN-A2

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		5 LEU A 483
SER A 499
LEU A 117
GLY A  65
ALA A  66
 None
 0.97A 4rrwC-5l5gA:
undetectable		 4rrwC-5l5gA:
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.
5mux 2-METHYLCITRATE
DEHYDRATASE

(Bacillus
subtilis) 		no annotation 5 LEU A 109
LEU A  34
VAL A  32
GLY A  30
ALA A  29
 None
 1.07A 4rrwC-5muxA:
undetectable		 4rrwC-5muxA:
12.00
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.
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
 1.00A 4rrwC-5nugA:
undetectable		 4rrwC-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 4rrwC-5nzgA:
undetectable		 4rrwC-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.
5syn ACYL-PROTEIN
THIOESTERASE 2

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		5 VAL A 220
LEU A 224
LEU A 118
GLY A 119
LEU A 145
 None
 1.00A 4rrwC-5synA:
undetectable		 4rrwC-5synA:
16.18
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.
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
 0.88A 4rrwC-5tnxA:
undetectable		 4rrwC-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.
5veb CADHERIN-6

(Homo sapiens) 		PF00028
(Cadherin) 		6 VAL X 568
LEU X 527
SER X 526
LEU X 550
GLY X 548
ALA X 547
 None
 1.11A 4rrwC-5vebX:
undetectable		 4rrwC-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 4rrwC-5vymA:
undetectable		 4rrwC-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.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 VAL A 273
LEU A 192
GLY A 227
ALA A 229
LEU A 232
 None
 1.05A 4rrwC-5w4bA:
0.2		 4rrwC-5w4bA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		5 VAL A  55
LEU A  57
LEU A 103
VAL A 135
LEU A 142
 None
 1.08A 4rrwC-5w8oA:
undetectable		 4rrwC-5w8oA:
21.02
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.
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
 0.91A 4rrwC-5wy3A:
undetectable		 4rrwC-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.
6d79 SULFATE TRANSPORTER
CYSZ

(Pseudomonas
fragi) 		no annotation 5 VAL A  28
LEU A 103
LEU A 235
GLY A  15
LEU A  20
 None
 1.06A 4rrwC-6d79A:
undetectable		 4rrwC-6d79A:
9.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6en4 SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 5 LEU C1098
VAL C1143
GLY C1146
SER C1150
LEU C1151
 None
 1.00A 4rrwC-6en4C:
undetectable		 4rrwC-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
 0.90A 4rrwC-6g3dA:
undetectable		 4rrwC-6g3dA:
10.60