SIMILAR PATTERNS OF AMINO ACIDS FOR 3RET_A_SALA201

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.
1ee6 PECTATE LYASE

(Bacillus sp.
KSM-P15) 		PF03211
(Pectate_lyase) 		5 VAL A   5
VAL A  65
TYR A  24
ILE A  57
ILE A   9
 None
 1.26A 3retA-1ee6A:
undetectable
3retB-1ee6A:
undetectable		 3retA-1ee6A:
18.59
3retB-1ee6A:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		5 VAL A  15
ALA A  82
VAL A  56
TYR A  90
ILE A  12
 None
 1.04A 3retA-1l1lA:
undetectable
3retB-1l1lA:
undetectable		 3retA-1l1lA:
8.57
3retB-1l1lA:
8.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p3y MRSD PROTEIN

(Bacillus sp.
HIL-Y85/54728) 		PF02441
(Flavoprotein) 		5 VAL 1  41
ALA 1 108
VAL 1 111
ILE 1  87
ILE 1  78
 None
 1.17A 3retA-1p3y1:
undetectable
3retB-1p3y1:
undetectable		 3retA-1p3y1:
17.17
3retB-1p3y1:
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.
1s2j PEPTIDOGLYCAN
RECOGNITION PROTEIN
SA CG11709-PA

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		5 ALA A 128
VAL A  86
TYR A  76
ILE A 109
ILE A 112
 None
 1.35A 3retA-1s2jA:
undetectable
3retB-1s2jA:
undetectable		 3retA-1s2jA:
15.57
3retB-1s2jA:
15.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uj2 URIDINE-CYTIDINE
KINASE 2

(Homo sapiens) 		PF00485
(PRK) 		5 VAL A  41
ALA A 129
VAL A 126
GLN A  46
ILE A  58
 None
 1.43A 3retA-1uj2A:
undetectable
3retB-1uj2A:
1.4		 3retA-1uj2A:
15.16
3retB-1uj2A:
15.16
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.
1v6u ENDO-1,4-BETA-D-XYLA
NASE

(Streptomyces
olivaceoviridis) 		PF00331
(Glyco_hydro_10)
PF00652
(Ricin_B_lectin) 		5 VAL A 189
ALA A 226
VAL A 232
TYR A 169
ILE A 199
 None
 1.50A 3retA-1v6uA:
undetectable
3retB-1v6uA:
undetectable		 3retA-1v6uA:
12.85
3retB-1v6uA:
12.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vl7 HYPOTHETICAL PROTEIN
ALR5027

(Nostoc sp. PCC
7120) 		PF01243
(Putative_PNPOx) 		5 ALA A  21
VAL A  69
TYR A  48
ILE A  49
ILE A  41
 EDO  A 147 ( 4.9A)
None
None
None
None
 1.17A 3retA-1vl7A:
undetectable
3retB-1vl7A:
undetectable		 3retA-1vl7A:
22.64
3retB-1vl7A:
22.64
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.
1vlv ORNITHINE
CARBAMOYLTRANSFERASE

(Thermotoga
maritima) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 VAL A 307
ALA A 139
ARG A 300
TYR A 127
ILE A 304
 None
None
PO4  A 314 (-3.2A)
None
None
 1.39A 3retA-1vlvA:
undetectable
3retB-1vlvA:
undetectable		 3retA-1vlvA:
15.79
3retB-1vlvA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wue MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A1266
VAL A1267
ALA A1277
VAL A1287
ILE A1242
 None
 1.45A 3retA-1wueA:
undetectable
3retB-1wueA:
undetectable		 3retA-1wueA:
15.49
3retB-1wueA:
15.49
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.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		5 VAL A  32
VAL A  76
MET A  79
GLN A 293
ILE A  10
 None
 1.40A 3retA-1wyeA:
undetectable
3retB-1wyeA:
undetectable		 3retA-1wyeA:
18.29
3retB-1wyeA:
18.29
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.
1yb4 TARTRONIC
SEMIALDEHYDE
REDUCTASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 VAL A  69
ALA A 104
ARG A 106
VAL A 107
ILE A  89
 None
 1.43A 3retA-1yb4A:
undetectable
3retB-1yb4A:
undetectable		 3retA-1yb4A:
15.33
3retB-1yb4A:
15.33
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		5 ALA A 441
VAL A 445
TYR A 207
ILE A 206
ILE A 217
 None
 1.38A 3retA-2dkdA:
undetectable
3retB-2dkdA:
undetectable		 3retA-2dkdA:
12.87
3retB-2dkdA:
12.87
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.
2f2l PEPTIDOGLYCAN
RECOGNITION
PROTEIN-LC ISOFORM
LCX

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		5 ALA X 450
VAL X 409
TYR X 399
ILE X 432
ILE X 435
 None
None
MLD  X 201 (-4.6A)
None
None
 1.24A 3retA-2f2lX:
undetectable
3retB-2f2lX:
undetectable		 3retA-2f2lX:
20.11
3retB-2f2lX:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fko 173AA LONG
HYPOTHETICAL
FERRIPYOCHELIN
BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF00132
(Hexapep) 		5 VAL A  95
ALA A  84
VAL A  86
ILE A  80
ILE A 109
 None
 1.47A 3retA-2fkoA:
undetectable
3retB-2fkoA:
undetectable		 3retA-2fkoA:
19.21
3retB-2fkoA:
19.21
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 VAL A   5
VAL A 123
MET A 125
ILE A  19
ILE A 171
 None
 1.46A 3retA-2g1sA:
undetectable
3retB-2g1sA:
undetectable		 3retA-2g1sA:
15.17
3retB-2g1sA:
15.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h9c SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB

(Pseudomonas
aeruginosa) 		PF01817
(CM_2) 		5 ARG A  31
VAL A  54
MET A  57
ILE A  87
GLN A  90
 NO3  A 100 (-2.8A)
None
NO3  A 100 (-3.5A)
None
None
 0.74A 3retA-2h9cA:
12.9
3retB-2h9cA:
13.2		 3retA-2h9cA:
98.99
3retB-2h9cA:
98.99
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.
2iy9 SUBA

(Escherichia
coli) 		PF00082
(Peptidase_S8) 		5 VAL A 320
ALA A 326
VAL A 281
ILE A  30
ILE A 249
 None
 1.38A 3retA-2iy9A:
undetectable
3retB-2iy9A:
undetectable		 3retA-2iy9A:
14.20
3retB-2iy9A:
14.20
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.
2jir PERIPLASMIC NITRATE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 VAL A 104
ARG A  93
VAL A 507
ILE A 123
ILE A  96
 None
 1.34A 3retA-2jirA:
undetectable
3retB-2jirA:
undetectable		 3retA-2jirA:
10.37
3retB-2jirA:
10.37
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.
2nm0 PROBABLE
3-OXACYL-(ACYL-CARRI
ER-PROTEIN)
REDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		5 VAL A  29
ALA A 212
ARG A 209
VAL A 208
ILE A  73
 None
 1.44A 3retA-2nm0A:
undetectable
3retB-2nm0A:
undetectable		 3retA-2nm0A:
17.77
3retB-2nm0A:
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.
2nun AVIRULENCE B PROTEIN

(Pseudomonas
savastanoi) 		PF05394
(AvrB_AvrC) 		5 ALA A 136
ARG A 137
VAL A 138
TYR A 131
ILE A 298
 None
None
None
TRS  A1503 (-4.9A)
None
 1.50A 3retA-2nunA:
1.5
3retB-2nunA:
undetectable		 3retA-2nunA:
15.81
3retB-2nunA:
15.81
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.
2r3b YJEF-RELATED PROTEIN

(Enterococcus
faecalis) 		PF01256
(Carb_kinase) 		5 VAL A 115
ALA A  93
VAL A  95
GLN A 118
ILE A  31
 None
 1.39A 3retA-2r3bA:
undetectable
3retB-2r3bA:
undetectable		 3retA-2r3bA:
17.04
3retB-2r3bA:
17.04
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.
2r3b YJEF-RELATED PROTEIN

(Enterococcus
faecalis) 		PF01256
(Carb_kinase) 		5 VAL A 115
ALA A  93
VAL A  95
GLN A 118
ILE A  98
 None
 1.40A 3retA-2r3bA:
undetectable
3retB-2r3bA:
undetectable		 3retA-2r3bA:
17.04
3retB-2r3bA:
17.04
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.
2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN

(Bacillus
thuringiensis) 		PF01338
(Bac_thur_toxin) 		5 ALA A 211
VAL A 107
MET A 110
ILE A 205
ILE A 193
 ALA  A 211 ( 0.0A)
VAL  A 107 ( 0.6A)
MET  A 110 ( 0.0A)
ILE  A 205 ( 0.7A)
ILE  A 193 ( 0.6A)
 1.25A 3retA-2rciA:
undetectable
3retB-2rciA:
undetectable		 3retA-2rciA:
18.27
3retB-2rciA:
18.27
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.
2wvl MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Thermus
thermophilus) 		PF09488
(Osmo_MPGsynth) 		5 VAL A 244
VAL A  15
ILE A 300
GLN A 302
ILE A 233
 None
 1.28A 3retA-2wvlA:
undetectable
3retB-2wvlA:
undetectable		 3retA-2wvlA:
15.41
3retB-2wvlA:
15.41
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.
3c4q PREDICTED
GLYCOSYLTRANSFERASES

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 VAL A 344
ALA A 335
ARG A 336
VAL A 353
ILE A 333
 None
 1.39A 3retA-3c4qA:
undetectable
3retB-3c4qA:
undetectable		 3retA-3c4qA:
13.38
3retB-3c4qA:
13.38
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.
3d6e BETA-GLUCANASE

(Bacillus
licheniformis) 		PF00722
(Glyco_hydro_16) 		5 ALA A 135
VAL A  64
TYR A  79
ILE A  95
ILE A 166
 None
 1.03A 3retA-3d6eA:
undetectable
3retB-3d6eA:
undetectable		 3retA-3d6eA:
19.54
3retB-3d6eA:
19.54
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.
3f65 CHAPERONE PROTEIN
FAEE

(Escherichia
coli) 		PF00345
(PapD_N) 		5 ARG A 112
ALA A 148
ARG A   8
TYR A 145
ILE A  10
 None
None
MPD  A 225 (-3.7A)
None
None
 1.30A 3retA-3f65A:
undetectable
3retB-3f65A:
undetectable		 3retA-3f65A:
19.00
3retB-3f65A:
19.00
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.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 VAL A 204
ALA A 156
VAL A 336
MET A 334
ILE A 215
 None
 1.43A 3retA-3fedA:
undetectable
3retB-3fedA:
0.6		 3retA-3fedA:
9.73
3retB-3fedA:
9.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gp9 NUCLEOSIDE
DIPHOSPHATE KINASE

(Acanthamoeba
polyphaga
mimivirus) 		PF00334
(NDK) 		5 VAL A   6
ALA A  12
VAL A  18
ILE A  72
ILE A  25
 None
 1.39A 3retA-3gp9A:
undetectable
3retB-3gp9A:
undetectable		 3retA-3gp9A:
20.00
3retB-3gp9A:
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF19

(Schizosaccharomyces
pombe) 		no annotation 5 VAL c 567
ALA c 520
MET c 599
TYR c 491
ILE c 489
 None
 1.47A 3retA-3jb9c:
undetectable
3retB-3jb9c:
undetectable		 3retA-3jb9c:
10.34
3retB-3jb9c:
10.34
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.
3lpe PUTATIVE
TRANSCRIPTION
ANTITERMINATION
PROTEIN NUSG

(Methanocaldococcus
jannaschii) 		PF03439
(Spt5-NGN) 		5 VAL A  63
ALA A   4
VAL A  45
ILE A  66
ILE A  15
 None
 1.21A 3retA-3lpeA:
undetectable
3retB-3lpeA:
undetectable		 3retA-3lpeA:
22.43
3retB-3lpeA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3msy MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(marine
actinobacterium
PHSC20C1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A 183
ALA A 205
ARG A 203
ILE A 168
ILE A 212
 None
 1.43A 3retA-3msyA:
undetectable
3retB-3msyA:
undetectable		 3retA-3msyA:
16.00
3retB-3msyA:
16.00
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.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 ALA A 117
VAL A 115
TYR A 125
ILE A 105
ILE A 145
 CA  A 405 (-4.7A)
None
None
None
None
 1.32A 3retA-3p4gA:
undetectable
3retB-3p4gA:
undetectable		 3retA-3p4gA:
14.95
3retB-3p4gA:
14.95
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.
3pvo C-REACTIVE PROTEIN

(Homo sapiens) 		PF00354
(Pentaxin) 		5 VAL A 127
ALA A  24
VAL A 184
MET A 161
ILE A  63
 None
 1.48A 3retA-3pvoA:
undetectable
3retB-3pvoA:
undetectable		 3retA-3pvoA:
16.99
3retB-3pvoA:
16.99
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.
3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)

(Archaeoglobus
fulgidus) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 ALA A 350
VAL A 359
MET A 362
TYR A 196
ILE A 343
 None
 1.38A 3retA-3qw2A:
undetectable
3retB-3qw2A:
undetectable		 3retA-3qw2A:
15.73
3retB-3qw2A:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tho EXONUCLEASE,
PUTATIVE

(Thermotoga
maritima) 		PF00149
(Metallophos) 		5 VAL B  41
ARG B  48
VAL B  50
ILE B  53
ILE B 265
 None
 1.42A 3retA-3thoB:
2.0
3retB-3thoB:
undetectable		 3retA-3thoB:
14.25
3retB-3thoB:
14.25
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 VAL A 578
ALA A 541
VAL A 507
TYR A 561
ILE A 472
 None
 1.36A 3retA-3w6qA:
undetectable
3retB-3w6qA:
undetectable		 3retA-3w6qA:
8.87
3retB-3w6qA:
8.87
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.
3wia NITRITE REDUCTASE

(Geobacillus
kaustophilus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 VAL A  74
ALA A 125
VAL A 102
TYR A 133
ILE A  43
 None
 1.45A 3retA-3wiaA:
undetectable
3retB-3wiaA:
undetectable		 3retA-3wiaA:
15.99
3retB-3wiaA:
15.99
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.
3wkq NITRITE REDUCTASE

(Geobacillus
thermodenitrificans) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 VAL A  74
ALA A 125
VAL A 102
TYR A 133
ILE A  43
 None
 1.38A 3retA-3wkqA:
undetectable
3retB-3wkqA:
undetectable		 3retA-3wkqA:
16.39
3retB-3wkqA:
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.
4azn FATTY ACID-BINDING
PROTEIN, EPIDERMAL

(Mus musculus) 		PF00061
(Lipocalin) 		5 VAL A  54
VAL A 118
MET A 116
ILE A 107
ILE A  45
 None
 1.25A 3retA-4aznA:
undetectable
3retB-4aznA:
undetectable		 3retA-4aznA:
14.47
3retB-4aznA:
14.47
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.
4fq7 MALEATE CIS-TRANS
ISOMERASE

(Pseudomonas
putida) 		no annotation 5 VAL A 133
ALA A 127
ARG A 126
ILE A 221
ILE A 156
 None
 1.31A 3retA-4fq7A:
undetectable
3retB-4fq7A:
undetectable		 3retA-4fq7A:
15.38
3retB-4fq7A:
15.38
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.
4gn4 OBODY AM2EP06

(Pyrobaculum
aerophilum) 		PF01336
(tRNA_anti-codon) 		5 VAL B  21
ALA B  24
VAL B  41
ILE B  78
ILE B  12
 None
 1.29A 3retA-4gn4B:
undetectable
3retB-4gn4B:
undetectable		 3retA-4gn4B:
20.18
3retB-4gn4B:
20.18
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.
4i70 INOSINE-ADENOSINE-GU
ANOSINE-NUCLEOSIDE
HYDROLASE

(Trypanosoma
brucei) 		PF01156
(IU_nuc_hydro) 		5 VAL A 174
ALA A 167
ARG A 293
TYR A 188
ILE A 187
 None
 1.47A 3retA-4i70A:
undetectable
3retB-4i70A:
undetectable		 3retA-4i70A:
15.58
3retB-4i70A:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mk0 BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00169
(PH)
PF00615
(RGS) 		5 ALA A 128
VAL A 132
TYR A 112
ILE A 113
ILE A  89
 None
 1.36A 3retA-4mk0A:
undetectable
3retB-4mk0A:
undetectable		 3retA-4mk0A:
10.62
3retB-4mk0A:
10.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4myr CPAE2 PILUS ASSEMBLY
PROTEIN

(Sinorhizobium
meliloti) 		no annotation 5 VAL A  35
ALA A 147
VAL A 145
MET A  55
ILE A  33
 None
 1.35A 3retA-4myrA:
undetectable
3retB-4myrA:
undetectable		 3retA-4myrA:
21.58
3retB-4myrA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4phb UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF14262
(Cthe_2159) 		5 VAL A 230
ALA A 257
VAL A 259
ILE A 254
ILE A 217
 None
 1.41A 3retA-4phbA:
undetectable
3retB-4phbA:
undetectable		 3retA-4phbA:
15.60
3retB-4phbA:
15.60
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.
4y7m HI113 PROTEIN

(Lama glama) 		PF07686
(V-set) 		5 ALA A  33
VAL A  99
MET A 116
TYR A 109
ILE A 104
 None
 1.32A 3retA-4y7mA:
undetectable
3retB-4y7mA:
undetectable		 3retA-4y7mA:
21.23
3retB-4y7mA:
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.
4ywh ABC TRANSPORTER
SOLUTE BINDING
PROTEIN

(Actinobacillus
succinogenes) 		PF13407
(Peripla_BP_4) 		5 VAL A 330
ALA A 246
VAL A 310
ILE A 254
ILE A 320
 None
 1.24A 3retA-4ywhA:
undetectable
3retB-4ywhA:
undetectable		 3retA-4ywhA:
16.55
3retB-4ywhA:
16.55
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.
4zn1 TRANSCRIPTION
ELONGATION FACTOR
SPT5

(Methanocaldococcus
jannaschii) 		PF00467
(KOW)
PF03439
(Spt5-NGN) 		5 VAL A  63
ALA A   4
VAL A  45
ILE A  66
ILE A  15
 None
 1.15A 3retA-4zn1A:
undetectable
3retB-4zn1A:
undetectable		 3retA-4zn1A:
20.71
3retB-4zn1A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5afu DYNACTIN

(Sus scrofa) 		PF00022
(Actin) 		5 VAL A 318
ALA A 167
VAL A 156
ILE A 283
ILE A 330
 None
 1.20A 3retA-5afuA:
undetectable
3retB-5afuA:
undetectable		 3retA-5afuA:
12.95
3retB-5afuA:
12.95
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.
5bmo PUTATIVE
UNCHARACTERIZED
PROTEIN LNMX

(Streptomyces
atroolivaceus) 		PF02585
(PIG-L) 		5 VAL A 171
ALA A 141
VAL A 138
ILE A  18
ILE A 173
 None
 1.37A 3retA-5bmoA:
undetectable
3retB-5bmoA:
undetectable		 3retA-5bmoA:
18.70
3retB-5bmoA:
18.70
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.
5eco JASMONIC ACID-AMIDO
SYNTHETASE JAR1

(Arabidopsis
thaliana) 		PF03321
(GH3) 		5 VAL A 522
ALA A 448
VAL A 445
ILE A 477
ILE A 481
 None
 1.45A 3retA-5ecoA:
undetectable
3retB-5ecoA:
undetectable		 3retA-5ecoA:
11.83
3retB-5ecoA:
11.83
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.
5ee7 GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		5 VAL A 279
VAL A 311
TYR A 233
ILE A 235
GLN A 232
 None
None
None
PE5  A1216 (-3.9A)
None
 1.25A 3retA-5ee7A:
1.5
3retB-5ee7A:
1.5		 3retA-5ee7A:
12.90
3retB-5ee7A:
12.90
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.
5epv BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE

(Brucella
abortus) 		PF07536
(HWE_HK) 		5 VAL A 370
ALA A 469
VAL A 467
MET A 419
ILE A 342
 None
 1.35A 3retA-5epvA:
undetectable
3retB-5epvA:
1.9		 3retA-5epvA:
19.50
3retB-5epvA:
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.
5exr DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
PF08996
(zf-DNA_Pol) 		5 ARG C1222
VAL C1220
ILE C1216
GLN C1215
ILE C1079
 None
 1.36A 3retA-5exrC:
1.4
3retB-5exrC:
1.0		 3retA-5exrC:
7.75
3retB-5exrC:
7.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 VAL A 185
ALA A  71
VAL A 122
ILE A 202
ILE A 241
 None
 1.31A 3retA-5f83A:
undetectable
3retB-5f83A:
undetectable		 3retA-5f83A:
19.40
3retB-5f83A:
19.40
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.
5foi MYCINAMICIN VIII C21
METHYL HYDROXYLASE

(Micromonospora
griseorubida) 		PF00067
(p450) 		5 VAL A  41
ALA A 280
ARG A 279
VAL A  56
ILE A 292
 None
None
HEM  A 413 (-2.9A)
None
None
 1.30A 3retA-5foiA:
1.7
3retB-5foiA:
0.4		 3retA-5foiA:
13.11
3retB-5foiA:
13.11
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.
5gjw VOLTAGE-DEPENDENT
CALCIUM CHANNEL
SUBUNIT
ALPHA-2/DELTA-1

(Oryctolagus
cuniculus) 		PF00092
(VWA)
PF08399
(VWA_N)
PF08473
(VGCC_alpha2) 		5 VAL F 278
ALA F 323
VAL F 303
ILE F 327
ILE F 258
 None
 1.19A 3retA-5gjwF:
undetectable
3retB-5gjwF:
undetectable		 3retA-5gjwF:
7.14
3retB-5gjwF:
7.14
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.
5go2 PROTEIN AROA(G)

(Bacillus
subtilis) 		PF01817
(CM_2) 		5 ARG A  27
VAL A  31
ARG A  50
MET A  54
GLN A  86
 None
 0.96A 3retA-5go2A:
9.5
3retB-5go2A:
9.1		 3retA-5go2A:
25.74
3retB-5go2A:
25.74
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.
5gz1 MESO-DIAMINOPIMELATE
D-DEHYDROGENASE

(Ureibacillus
thermosphaericus) 		PF01113
(DapB_N)
PF16654
(DAPDH_C) 		5 VAL A 121
ALA A 302
VAL A 116
TYR A 287
ILE A  90
 None
 1.47A 3retA-5gz1A:
undetectable
3retB-5gz1A:
undetectable		 3retA-5gz1A:
15.76
3retB-5gz1A:
15.76
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.
5hev RESPONSE REGULATOR
PROTEIN VRAR

(Enterococcus
faecium) 		PF00072
(Response_reg)
PF00196
(GerE) 		5 VAL A   4
ALA A 117
ARG A 116
ILE A  79
ILE A  27
 None
 1.17A 3retA-5hevA:
undetectable
3retB-5hevA:
undetectable		 3retA-5hevA:
20.59
3retB-5hevA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j6f 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE
SYNTHASE, CHORISMATE
MUTASE-ISOZYME 3

(Geobacillus sp.
GHH01) 		PF00793
(DAHP_synth_1)
PF01817
(CM_2) 		5 ARG A  27
VAL A  31
ARG A  50
MET A  54
GLN A  86
 PRE  A 404 (-3.4A)
PRE  A 404 ( 4.9A)
PRE  A 404 (-4.6A)
PRE  A 404 (-3.6A)
PRE  A 404 (-3.3A)
 0.72A 3retA-5j6fA:
10.7
3retB-5j6fA:
10.2		 3retA-5j6fA:
17.46
3retB-5j6fA:
17.46
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.
5jxx ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Moraxella
catarrhalis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 VAL A 134
ALA A 140
VAL A 124
ILE A 118
ILE A 148
 None
 1.38A 3retA-5jxxA:
undetectable
3retB-5jxxA:
undetectable		 3retA-5jxxA:
16.80
3retB-5jxxA:
16.80
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.
5nij VACUOLAR-PROCESSING
ENZYME GAMMA-ISOZYME

(Arabidopsis
thaliana) 		no annotation 5 VAL A  64
ALA A  61
TYR A 174
ILE A 172
ILE A  79
 None
None
SNN  A 176 ( 4.4A)
None
None
 1.21A 3retA-5nijA:
undetectable
3retB-5nijA:
undetectable		 3retA-5nijA:
15.84
3retB-5nijA:
15.84
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.
5tv1 BETA-ARRESTIN-2

(Bos taurus) 		no annotation 5 VAL A 257
VAL A 219
ILE A 232
GLN A 259
ILE A 275
 None
 1.15A 3retA-5tv1A:
undetectable
3retB-5tv1A:
undetectable		 3retA-5tv1A:
15.92
3retB-5tv1A:
15.92
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.
5u94 SERINE/THREONINE-PRO
TEIN KINASE PKNB

(Mycobacterium
tuberculosis) 		no annotation 5 VAL A 152
VAL A 209
MET A 110
ILE A 119
ILE A 146
 None
None
GOL  A 306 (-3.9A)
None
GOL  A 306 ( 3.5A)
 1.16A 3retA-5u94A:
2.0
3retB-5u94A:
undetectable		 3retA-5u94A:
22.11
3retB-5u94A:
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.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 VAL A 413
ALA A 393
VAL A 253
ILE A 407
ILE A 388
 None
 1.20A 3retA-5vm1A:
undetectable
3retB-5vm1A:
undetectable		 3retA-5vm1A:
12.66
3retB-5vm1A:
12.66
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.
5xyj ACETYL-COA
ACETYLTRANSFERASE

(Saccharomyces
cerevisiae) 		no annotation 5 VAL B 264
ALA B 115
TYR B   6
ILE B   7
ILE B 105
 None
 1.24A 3retA-5xyjB:
undetectable
3retB-5xyjB:
undetectable		 3retA-5xyjB:
18.81
3retB-5xyjB:
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.
5y00 GREEN FLUORESCENT
PROTEIN

(Olindias) 		no annotation 5 VAL A  35
ALA A  66
TYR A  52
ILE A 219
ILE A  22
 None
 1.17A 3retA-5y00A:
undetectable
3retB-5y00A:
undetectable		 3retA-5y00A:
17.65
3retB-5y00A:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6az1 RIBOSOMAL PROTEIN S2
RIBOSOMAL PROTEIN
S21E

(Leishmania
donovani) 		no annotation 5 ALA B  65
ARG B  66
VAL B  67
ILE B 162
ILE Y  82
 None
 1.37A 3retA-6az1B:
undetectable
3retB-6az1B:
undetectable		 3retA-6az1B:
16.04
3retB-6az1B:
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.
6co7 PREDICTED PROTEIN

(Nematostella
vectensis) 		no annotation 5 ALA A 330
VAL A 308
MET A 311
ILE A 382
ILE A 392
 None
 1.08A 3retA-6co7A:
undetectable
3retB-6co7A:
undetectable		 3retA-6co7A:
17.00
3retB-6co7A:
17.00
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 5 VAL A1090
ARG A1108
VAL A1116
ILE A1023
ILE A1099
 None
 1.42A 3retA-6eojA:
undetectable
3retB-6eojA:
undetectable		 3retA-6eojA:
5.45
3retB-6eojA:
5.45