SIMILAR PATTERNS OF AMINO ACIDS FOR 4RRW_D_LURD705

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) 		5 TYR A 355
LEU A 384
GLY A 526
ALA A 527
LEU A 531
 SCL  A 700 (-4.3A)
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 (-4.1A)
 0.79A 4rrwD-1ebvA:
58.1		 4rrwD-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) 		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)
 0.36A 4rrwD-1ebvA:
58.1		 4rrwD-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.
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
 1.03A 4rrwD-1h4lA:
undetectable		 4rrwD-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.
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
 1.07A 4rrwD-1hrdA:
undetectable		 4rrwD-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.
1ia5 POLYGALACTURONASE

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		5 VAL A  26
LEU A  27
SER A  28
GLY A  78
ALA A  79
 None
 1.04A 4rrwD-1ia5A:
0.0		 4rrwD-1ia5A:
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.
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
 0.94A 4rrwD-1jy1A:
0.0		 4rrwD-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.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis) 		PF00759
(Glyco_hydro_9) 		5 VAL A 260
LEU A 263
TYR A 273
LEU A 222
ALA A 235
 None
 1.07A 4rrwD-1ks8A:
0.0		 4rrwD-1ks8A:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Homo sapiens) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 VAL A  99
LEU A   8
LEU A  68
GLY A 127
LEU A 132
 None
None
XMP  A 901 (-4.1A)
XMP  A 901 (-3.4A)
None
 1.03A 4rrwD-1pl0A:
undetectable		 4rrwD-1pl0A:
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.
1suj CONE ARRESTIN

(Ambystoma
tigrinum) 		PF00339
(Arrestin_N)
PF02752
(Arrestin_C) 		5 LEU A 105
LEU A  21
VAL A  40
GLY A  38
LEU A  94
 None
 1.05A 4rrwD-1sujA:
0.0		 4rrwD-1sujA:
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.
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
 1.03A 4rrwD-1umfA:
0.0		 4rrwD-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
 1.02A 4rrwD-1vknA:
undetectable		 4rrwD-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
 1.02A 4rrwD-1wz8A:
undetectable		 4rrwD-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.
2ark FLAVODOXIN

(Aquifex
aeolicus) 		PF00258
(Flavodoxin_1) 		5 VAL A   6
LEU A  36
GLY A  25
ALA A  26
LEU A 158
 None
 1.02A 4rrwD-2arkA:
undetectable		 4rrwD-2arkA:
16.70
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
 0.96A 4rrwD-2ch6A:
undetectable		 4rrwD-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.
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
 1.05A 4rrwD-2cw6A:
undetectable		 4rrwD-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.
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
 1.00A 4rrwD-2ejbA:
undetectable		 4rrwD-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.
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
 1.01A 4rrwD-2gk9A:
undetectable		 4rrwD-2gk9A:
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.
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 4rrwD-2hi1A:
undetectable		 4rrwD-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.
2ib0 CONSERVED
HYPOTHETICAL ALANINE
RICH PROTEIN

(Mycobacterium
tuberculosis) 		PF14530
(DUF4439) 		5 VAL A 147
LEU A 148
LEU A 102
VAL A 104
LEU A  54
 None
 0.86A 4rrwD-2ib0A:
undetectable		 4rrwD-2ib0A:
13.97
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.
2p31 GLUTATHIONE
PEROXIDASE 7

(Homo sapiens) 		PF00255
(GSHPx) 		5 VAL A  50
LEU A  49
SER A  48
GLY A 157
LEU A 132
 None
 0.97A 4rrwD-2p31A:
undetectable		 4rrwD-2p31A:
14.78
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.
2pe4 HYALURONIDASE-1

(Homo sapiens) 		PF01630
(Glyco_hydro_56) 		5 LEU A 379
LEU A 382
VAL A 351
GLY A 354
ALA A 355
 None
NAG  A 550 (-4.4A)
None
None
None
 0.94A 4rrwD-2pe4A:
undetectable		 4rrwD-2pe4A:
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.
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
 1.08A 4rrwD-2pjrA:
1.6		 4rrwD-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.
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
 0.88A 4rrwD-2pplA:
undetectable		 4rrwD-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.
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
 1.00A 4rrwD-2r7dA:
undetectable		 4rrwD-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
 0.94A 4rrwD-2ru4A:
undetectable		 4rrwD-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.
2v8p 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Aquifex
aeolicus) 		PF00288
(GHMP_kinases_N) 		5 VAL A 163
LEU A 162
GLY A 247
ALA A 248
LEU A 252
 None
 1.04A 4rrwD-2v8pA:
undetectable		 4rrwD-2v8pA:
19.08
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.
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
 0.97A 4rrwD-2vosA:
undetectable		 4rrwD-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.
2vq0 COAT PROTEIN

(Sesbania mosaic
virus) 		PF00729
(Viral_coat) 		5 VAL A 155
LEU A 158
SER A 159
GLY A 167
SER A 138
 None
 1.09A 4rrwD-2vq0A:
undetectable		 4rrwD-2vq0A:
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.
2vrg MULTIPLE COAGULATION
FACTOR DEFICIENCY
PROTEIN 2

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 VAL A 100
LEU A 145
SER A 144
LEU A  74
LEU A  93
 None
 1.07A 4rrwD-2vrgA:
undetectable		 4rrwD-2vrgA:
10.92
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.
2wy0 ANGIOTENSINOGEN

(Mus musculus) 		PF00079
(Serpin) 		5 VAL C 130
LEU C 128
LEU C 114
GLY C 143
LEU C  11
 None
None
NA  C1456 ( 4.9A)
NA  C1456 (-4.0A)
None
 0.94A 4rrwD-2wy0C:
undetectable		 4rrwD-2wy0C:
23.16
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.
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
 0.98A 4rrwD-2xecA:
undetectable		 4rrwD-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 4rrwD-2xn8A:
undetectable		 4rrwD-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.
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)
 1.07A 4rrwD-2ylzA:
undetectable		 4rrwD-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.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		6 LEU A 225
SER A 222
LEU A 196
VAL A 362
ALA A 366
LEU A 371
 None
 1.43A 4rrwD-2ywbA:
undetectable		 4rrwD-2ywbA:
22.76
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.
3a3h ENDOGLUCANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		5 LEU A 264
SER A  34
TRP A  56
GLY A  31
ALA A 260
 None
 1.06A 4rrwD-3a3hA:
undetectable		 4rrwD-3a3hA:
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.
3a6p EXPORTIN-5

(Homo sapiens) 		PF08389
(Xpo1) 		5 VAL A 325
LEU A 272
GLY A 266
ALA A 267
LEU A 258
 None
 0.97A 4rrwD-3a6pA:
undetectable		 4rrwD-3a6pA:
17.92
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.
3gd8 AQUAPORIN-4

(Homo sapiens) 		PF00230
(MIP) 		5 LEU A  46
LEU A 135
GLY A 131
ALA A 130
LEU A  53
 None
 1.08A 4rrwD-3gd8A:
undetectable		 4rrwD-3gd8A:
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.
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 4rrwD-3glqA:
undetectable		 4rrwD-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.
3h2s PUTATIVE NADH-FLAVIN
REDUCTASE

(Lactobacillus
paracasei) 		PF13460
(NAD_binding_10) 		5 VAL A  27
LEU A  28
VAL A  31
GLY A   7
ALA A   8
 None
None
None
NDP  A 301 (-3.2A)
None
 1.05A 4rrwD-3h2sA:
undetectable		 4rrwD-3h2sA:
18.47
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.
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 4rrwD-3ikfA:
undetectable		 4rrwD-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
 1.00A 4rrwD-3is5A:
undetectable		 4rrwD-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.
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
 1.08A 4rrwD-3oneA:
undetectable		 4rrwD-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.
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
 1.07A 4rrwD-3othA:
undetectable		 4rrwD-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.
3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT

(Bacillus cereus) 		PF02378
(PTS_EIIC) 		5 LEU A  31
VAL A  85
GLY A  87
ALA A  89
LEU A  92
 ZDM  A 600 (-4.5A)
None
None
None
None
 1.05A 4rrwD-3qnqA:
1.7		 4rrwD-3qnqA:
21.53
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.
3re2 PREDICTED PROTEIN

(Nematostella
vectensis) 		PF05053
(Menin) 		5 VAL A 378
LEU A 379
GLY A 410
SER A 408
LEU A 351
 None
 0.97A 4rrwD-3re2A:
undetectable		 4rrwD-3re2A:
22.60
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.
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 4rrwD-3uw2A:
undetectable		 4rrwD-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.
3wp5 CDBFV

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		5 LEU A  59
GLY A 204
ALA A 203
SER A  95
LEU A 117
 None
 1.02A 4rrwD-3wp5A:
undetectable		 4rrwD-3wp5A:
16.34
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.
3wvs PUTATIVE
MONOOXYGENASE

(Streptomyces
sp. SN-593) 		PF00067
(p450) 		5 LEU A  25
SER A  26
LEU A 287
GLY A 288
SER A 291
 None
None
HEM  A 501 (-4.3A)
RRM  A 502 (-3.6A)
None
 1.05A 4rrwD-3wvsA:
undetectable		 4rrwD-3wvsA:
21.71
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.
3wxx ACRH

(Aeromonas
hydrophila) 		no annotation 5 LEU A 130
SER A 127
GLY A 146
ALA A 145
LEU A 141
 None
 0.90A 4rrwD-3wxxA:
undetectable		 4rrwD-3wxxA:
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.
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
 0.93A 4rrwD-3x0yA:
undetectable		 4rrwD-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.
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 4rrwD-4c13A:
undetectable		 4rrwD-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
 1.03A 4rrwD-4czpA:
4.2		 4rrwD-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.
4d9i DIAMINOPROPIONATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00291
(PALP) 		6 VAL A 373
LEU A 228
LEU A 319
VAL A 342
GLY A 320
ALA A 341
 None
 1.41A 4rrwD-4d9iA:
undetectable		 4rrwD-4d9iA:
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.
4ddd IMMUNOGENIC PROTEIN

(Ehrlichia
chaffeensis) 		PF16868
(NMT1_3) 		6 VAL A 263
LEU A 262
SER A 261
LEU A  33
GLY A  35
LEU A  78
 None
 1.46A 4rrwD-4dddA:
undetectable		 4rrwD-4dddA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dpp DIHYDRODIPICOLINATE
SYNTHASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00701
(DHDPS) 		5 VAL A 337
LEU A 336
LEU A 325
ALA A 307
LEU A 311
 None
 1.06A 4rrwD-4dppA:
undetectable		 4rrwD-4dppA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dpy MEVALONATE
DIPHOSPHATE
DECARBOXYLASE

(Staphylococcus
epidermidis) 		PF00288
(GHMP_kinases_N) 		5 LEU A 176
SER A 177
VAL A  36
GLY A 149
SER A 320
 None
 0.99A 4rrwD-4dpyA:
undetectable		 4rrwD-4dpyA:
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.
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
 0.96A 4rrwD-4ej6A:
undetectable		 4rrwD-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.
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 4rrwD-4gklA:
undetectable		 4rrwD-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
 1.43A 4rrwD-4j9uA:
3.0		 4rrwD-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.
4k2p T-LYMPHOMA INVASION
AND
METASTASIS-INDUCING
PROTEIN 1

(Homo sapiens) 		PF00169
(PH) 		5 SER A 456
LEU A 521
GLY A 522
ALA A 664
LEU A 665
 None
 1.05A 4rrwD-4k2pA:
undetectable		 4rrwD-4k2pA:
17.77
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.
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
 0.77A 4rrwD-4lvcA:
undetectable		 4rrwD-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) 		6 VAL A 153
LEU A 154
SER A 155
GLY A  92
ALA A  91
LEU A 200
 None
 1.24A 4rrwD-4m3nA:
undetectable		 4rrwD-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.
4n5a PROTEIN EFR3

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 536
LEU A 484
GLY A 552
ALA A 553
LEU A 557
 None
 1.03A 4rrwD-4n5aA:
2.2		 4rrwD-4n5aA:
20.67
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.
4nef AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		5 LEU A  21
VAL A  98
GLY A 100
ALA A 101
LEU A  28
 None
 1.04A 4rrwD-4nefA:
undetectable		 4rrwD-4nefA:
18.54
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.
4o1m ENOYL-ACYL CARRIER
REDUCTASE

(Toxoplasma
gondii) 		PF13561
(adh_short_C2) 		5 LEU A 286
VAL A 266
GLY A 268
ALA A 270
LEU A 274
 None
 0.99A 4rrwD-4o1mA:
undetectable		 4rrwD-4o1mA:
20.17
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.
4ogc HNH ENDONUCLEASE
DOMAIN PROTEIN

(Actinomyces
naeslundii) 		PF01844
(HNH) 		5 LEU A  43
SER A  44
GLY A  15
ALA A 740
SER A 741
 None
 0.97A 4rrwD-4ogcA:
undetectable		 4rrwD-4ogcA:
18.91
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A

(Vibrio cholerae) 		PF05896
(NQRA)
PF11973
(NQRA_SLBB) 		5 LEU A 181
VAL A 175
GLY A 177
ALA A 176
LEU A 252
 None
 1.06A 4rrwD-4p6vA:
undetectable		 4rrwD-4p6vA:
22.04
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) 		8 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 ( 4.7A)
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)
 0.65A 4rrwD-4ph9A:
63.8		 4rrwD-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) 		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)
 0.59A 4rrwD-4ph9A:
63.8		 4rrwD-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) 		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)
 0.36A 4rrwD-4ph9A:
63.8		 4rrwD-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) 		8 VAL A 350
SER A 354
TYR A 356
LEU A 526
VAL A 524
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 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 1.22A 4rrwD-4ph9A:
63.8		 4rrwD-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) 		8 VAL A 350
SER A 354
TYR A 356
LEU A 526
VAL A 524
GLY A 527
ALA A 528
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 ( 4.9A)
 1.30A 4rrwD-4ph9A:
63.8		 4rrwD-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 4rrwD-4phtX:
undetectable		 4rrwD-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.
4tym PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Streptococcus
agalactiae) 		PF01048
(PNP_UDP_1) 		5 VAL A 175
LEU A 176
SER A 177
GLY A 114
ALA A 113
 None
 1.04A 4rrwD-4tymA:
undetectable		 4rrwD-4tymA:
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.
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)
 0.97A 4rrwD-4ubtA:
undetectable		 4rrwD-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.
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
 0.98A 4rrwD-4xydA:
undetectable		 4rrwD-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.
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
 1.09A 4rrwD-4z7yA:
undetectable		 4rrwD-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.
4zdk CTP SYNTHASE

(Mycobacterium
tuberculosis) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 VAL A 340
SER A 342
GLY A 350
ALA A 351
LEU A 355
 None
 0.89A 4rrwD-4zdkA:
undetectable		 4rrwD-4zdkA:
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.
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
 1.03A 4rrwD-4zqbA:
undetectable		 4rrwD-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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT H

(Oryctolagus
cuniculus) 		PF01398
(JAB) 		5 VAL H  39
LEU H  76
VAL H 117
GLY H 118
LEU H 150
 None
 1.06A 4rrwD-5a5tH:
undetectable		 4rrwD-5a5tH:
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.
5b1q U14 PROTEIN

(Human
betaherpesvirus
6B) 		PF04637
(Herpes_pp85) 		5 LEU A 447
VAL A 434
GLY A 437
ALA A 438
SER A 441
 None
 0.90A 4rrwD-5b1qA:
undetectable		 4rrwD-5b1qA:
23.19
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.
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
 1.00A 4rrwD-5bz4A:
undetectable		 4rrwD-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) 		5 LEU A  77
VAL A 103
GLY A 101
ALA A 102
SER A  98
 None
 1.05A 4rrwD-5cbkA:
undetectable		 4rrwD-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.
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
 1.05A 4rrwD-5dwfA:
undetectable		 4rrwD-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.
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
 1.05A 4rrwD-5fiiA:
undetectable		 4rrwD-5fiiA:
11.13
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.
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
 1.02A 4rrwD-5ggyA:
undetectable		 4rrwD-5ggyA:
19.81
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)
 0.48A 4rrwD-5ikrA:
62.5		 4rrwD-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)
 0.59A 4rrwD-5ikrA:
62.5		 4rrwD-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.
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 4rrwD-5jfmA:
undetectable		 4rrwD-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.
5m32 PROTEASOME SUBUNIT
BETA TYPE-2

(Homo sapiens) 		PF00227
(Proteasome) 		5 LEU J   4
TYR J 117
GLY J 135
ALA J 136
LEU J 140
 None
 0.87A 4rrwD-5m32J:
undetectable		 4rrwD-5m32J:
15.64
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.
5mul NEURAMINIDASE

(Bacteroides
thetaiotaomicron) 		PF15892
(BNR_4) 		5 VAL A  46
LEU A  45
SER A  44
GLY A  66
LEU A 103
 None
 1.01A 4rrwD-5mulA:
undetectable		 4rrwD-5mulA:
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.
5n4a INTRAFLAGELLAR
TRANSPORT PROTEIN 80

(Chlamydomonas
reinhardtii) 		no annotation 5 LEU A 371
LEU A 388
GLY A 393
ALA A 392
SER A 391
 None
None
GOL  A 807 ( 4.7A)
None
None
 1.00A 4rrwD-5n4aA:
undetectable		 4rrwD-5n4aA:
9.70
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 5 VAL A 270
LEU A 281
LEU A 232
GLY A 301
LEU A 247
 None
 1.02A 4rrwD-5n7qA:
undetectable		 4rrwD-5n7qA:
8.84
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.27A 4rrwD-5nzgA:
undetectable		 4rrwD-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.
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 4rrwD-5tnxA:
0.2		 4rrwD-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.
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
 0.95A 4rrwD-5uldA:
undetectable		 4rrwD-5uldA:
18.12
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.
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
 1.04A 4rrwD-5w4bA:
undetectable		 4rrwD-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.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		5 LEU A   9
GLY A  17
ALA A  50
SER A  15
LEU A  52
 None
 0.98A 4rrwD-5xblA:
undetectable		 4rrwD-5xblA:
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.
5xhq APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Escherichia
coli) 		PF00795
(CN_hydrolase) 		5 LEU A 149
LEU A  26
ALA A  37
SER A  40
LEU A  41
 None
 1.03A 4rrwD-5xhqA:
2.4		 4rrwD-5xhqA:
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		6 LEU C 316
SER C 314
LEU C 368
ALA C 362
SER C 360
LEU C 359
 None
 1.33A 4rrwD-5y3rC:
undetectable		 4rrwD-5y3rC:
9.07