SIMILAR PATTERNS OF AMINO ACIDS FOR 2X45_A_HSMA1160

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.
1cdz PROTEIN (DNA-REPAIR
PROTEIN XRCC1)

(Homo sapiens) 		PF16589
(BRCT_2) 		4 SER A  56
TYR A  14
VAL A  47
ASP A  54
 None
 1.39A 2x45A-1cdzA:
undetectable		 2x45A-1cdzA:
20.53
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.
1dd5 RIBOSOME RECYCLING
FACTOR

(Thermotoga
maritima) 		PF01765
(RRF) 		4 SER A  73
TYR A  44
VAL A  42
ASP A  71
 None
 1.48A 2x45A-1dd5A:
undetectable		 2x45A-1dd5A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		4 SER A 367
TYR A 332
VAL A 329
TYR A 354
 None
 1.10A 2x45A-1ddgA:
0.0		 2x45A-1ddgA:
17.56
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.
1e8t HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 SER A 324
VAL A 390
ASP A 294
TRP A 295
 None
 1.14A 2x45A-1e8tA:
0.2		 2x45A-1e8tA:
14.82
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.
1ej6 LAMBDA1

(Reovirus sp.) 		no annotation 4 SER B1057
VAL B 301
TYR B1150
ASP B1206
 None
 1.34A 2x45A-1ej6B:
0.0		 2x45A-1ej6B:
7.22
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 SER A 451
TYR A 453
VAL A 472
ASP A 536
 None
 1.32A 2x45A-1gq1A:
undetectable		 2x45A-1gq1A:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mdw CALPAIN II,
CATALYTIC SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		4 SER A  50
VAL A 152
TYR A  27
ASP A  48
 None
 1.40A 2x45A-1mdwA:
0.0		 2x45A-1mdwA:
17.02
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.
1qi9 PROTEIN (VANADIUM
BROMOPEROXIDASE)

(Ascophyllum
nodosum) 		no annotation 4 SER A 413
TYR A 487
VAL A 141
ASP A 490
 None
 1.35A 2x45A-1qi9A:
undetectable		 2x45A-1qi9A:
12.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qvr CLPB PROTEIN

(Thermus
thermophilus) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 SER A 539
TYR A 371
VAL A 530
ASP A 614
 None
 1.42A 2x45A-1qvrA:
undetectable		 2x45A-1qvrA:
8.48
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.
1tr1 BETA-GLUCOSIDASE A

(Paenibacillus
polymyxa) 		PF00232
(Glyco_hydro_1) 		4 SER A  57
VAL A 104
TYR A 100
ASP A  64
 None
 1.15A 2x45A-1tr1A:
undetectable		 2x45A-1tr1A:
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.
1woi AGMATINASE

(Deinococcus
radiodurans) 		PF00491
(Arginase) 		4 SER A 124
TYR A 225
VAL A 139
ASP A 271
 None
 1.13A 2x45A-1woiA:
undetectable		 2x45A-1woiA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zzv IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA

(Escherichia
coli) 		PF07660
(STN) 		4 SER A  48
TYR A  44
VAL A   3
TYR A  17
 None
 1.19A 2x45A-1zzvA:
undetectable		 2x45A-1zzvA:
22.22
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.
2bw3 TRANSPOSASE

(Musca domestica) 		PF05699
(Dimer_Tnp_hAT)
PF10683
(DBD_Tnp_Hermes) 		4 SER A 309
VAL A 361
TYR A 323
ASP A 331
 None
 1.38A 2x45A-2bw3A:
undetectable		 2x45A-2bw3A:
13.35
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.
2dvz PUTATIVE EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF03401
(TctC) 		4 SER A 199
VAL A 241
TYR A 243
ASP A 195
 None
None
GLU  A1055 (-4.2A)
None
 1.11A 2x45A-2dvzA:
undetectable		 2x45A-2dvzA:
18.41
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.
2hqy CONSERVED
HYPOTHETICAL PROTEIN

(Bacteroides
thetaiotaomicron) 		PF09924
(DUF2156) 		4 SER A 241
VAL A 213
TYR A 152
ASP A 239
 None
 1.32A 2x45A-2hqyA:
undetectable		 2x45A-2hqyA:
17.26
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.
2ibp CITRATE SYNTHASE

(Pyrobaculum
aerophilum) 		PF00285
(Citrate_synt) 		4 SER A 370
TYR A  62
VAL A  65
TYR A  48
 None
 1.40A 2x45A-2ibpA:
undetectable		 2x45A-2ibpA:
16.43
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 SER A 240
TYR A 122
TYR A 261
ASP A 242
 GOL  A1979 (-3.5A)
GOL  A1979 (-4.5A)
None
GOL  A1979 (-2.7A)
 1.27A 2x45A-2ivfA:
undetectable		 2x45A-2ivfA:
10.53
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.
2ja2 GLUTAMYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00749
(tRNA-synt_1c) 		4 SER A  88
VAL A 199
TYR A  94
ASP A  47
 None
 1.27A 2x45A-2ja2A:
undetectable		 2x45A-2ja2A:
13.88
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.
2v5d O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		4 SER A 493
TYR A 397
VAL A 399
TYR A 402
 None
 1.03A 2x45A-2v5dA:
undetectable		 2x45A-2v5dA:
12.57
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.
2v8j PECTATE LYASE

(Yersinia
enterocolitica) 		PF06917
(Pectate_lyase_2) 		4 SER A  30
VAL A 112
TYR A  97
ASP A  22
 None
 1.13A 2x45A-2v8jA:
undetectable		 2x45A-2v8jA:
14.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x46 ALLERGEN ARG R 1

(Argas reflexus) 		PF02098
(His_binding) 		6 SER A  28
TYR A  37
VAL A  53
TYR A  67
ASP A 110
TRP A 121
 TRS  A1160 (-2.7A)
TRS  A1160 (-3.4A)
TRS  A1160 (-4.1A)
TRS  A1160 (-4.7A)
TRS  A1160 (-3.0A)
TRS  A1160 (-3.3A)
 0.39A 2x45A-2x46A:
29.7		 2x45A-2x46A:
99.31
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.
2zzr UNSATURATED
GLUCURONYL HYDROLASE

(Streptococcus
agalactiae) 		PF07470
(Glyco_hydro_88) 		4 TYR A 290
VAL A 288
TYR A 347
ASP A 297
 SO4  A 402 (-4.5A)
None
None
None
 1.47A 2x45A-2zzrA:
undetectable		 2x45A-2zzrA:
15.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3brn LIPOCALIN

(Argas
monolakensis) 		PF02098
(His_binding) 		5 SER A  18
TYR A  27
VAL A  43
ASP A 106
TRP A 118
 SRO  A 158 (-3.6A)
SRO  A 158 (-3.5A)
SRO  A 158 ( 4.6A)
SRO  A 158 (-3.2A)
SRO  A 158 (-3.3A)
 0.25A 2x45A-3brnA:
22.7		 2x45A-3brnA:
36.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bu1 LIPOCALIN

(Argas
monolakensis) 		PF02098
(His_binding) 		6 SER A  12
TYR A  21
VAL A  37
TYR A  51
ASP A  94
TRP A 105
 HSM  A 301 (-3.6A)
HSM  A 301 (-3.2A)
None
HSM  A 301 (-4.6A)
HSM  A 301 (-2.9A)
HSM  A 301 (-3.3A)
 0.30A 2x45A-3bu1A:
26.0		 2x45A-3bu1A:
48.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e3c L0044

(Escherichia
coli) 		PF16518
(GrlR) 		4 TYR A  40
VAL A  54
TYR A  71
ASP A  35
 HHG  A 150 (-3.7A)
None
HHG  A 150 (-4.6A)
HHG  A 150 (-3.5A)
 1.34A 2x45A-3e3cA:
3.4		 2x45A-3e3cA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7x FEMALE-SPECIFIC
HISTAMINE-BINDING
PROTEIN 2

(Rhipicephalus
appendiculatus) 		PF02098
(His_binding) 		4 SER A  20
TYR A  29
ASP A 120
TRP A 137
 None
 0.83A 2x45A-3g7xA:
17.9		 2x45A-3g7xA:
24.59
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.
3g7x FEMALE-SPECIFIC
HISTAMINE-BINDING
PROTEIN 2

(Rhipicephalus
appendiculatus) 		PF02098
(His_binding) 		4 TYR A  29
VAL A  51
ASP A 120
TRP A 137
 None
 0.52A 2x45A-3g7xA:
17.9		 2x45A-3g7xA:
24.59
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.
3gyc PUTATIVE GLYCOSIDE
HYDROLASE

(Parabacteroides
distasonis) 		PF12876
(Cellulase-like) 		4 SER A 140
VAL A 118
ASP A  83
TRP A  52
 None
 1.46A 2x45A-3gycA:
undetectable		 2x45A-3gycA:
15.65
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.
3iu0 PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Streptomyces
mobaraensis) 		PF09017
(Transglut_prok) 		4 SER A  32
TYR A 108
VAL A 111
TYR A 121
 None
 1.39A 2x45A-3iu0A:
undetectable		 2x45A-3iu0A:
16.49
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF17

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		4 SER L  61
TYR L  64
VAL L  79
ASP L  59
 None
 1.39A 2x45A-3jb9L:
undetectable		 2x45A-3jb9L:
19.75
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.
3kcm THIOREDOXIN FAMILY
PROTEIN

(Geobacter
metallireducens) 		PF00578
(AhpC-TSA) 		4 SER A  92
VAL A 131
ASP A  94
TRP A  63
 None
None
None
SO4  A   1 (-3.9A)
 1.26A 2x45A-3kcmA:
undetectable		 2x45A-3kcmA:
19.88
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.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		4 TYR A 253
VAL A 252
TYR A  48
ASP A  35
 None
 1.27A 2x45A-3n23A:
undetectable		 2x45A-3n23A:
10.09
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.
3nqh GLYCOSYL HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		4 SER A 187
VAL A 119
TYR A 121
ASP A 189
 None
 1.16A 2x45A-3nqhA:
undetectable		 2x45A-3nqhA:
15.65
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.
3nt8 ANCYLOSTOMA SECRETED
PROTEIN 1

(Necator
americanus) 		PF00188
(CAP) 		4 SER A 116
TYR A 164
VAL A 173
ASP A  36
 None
 1.43A 2x45A-3nt8A:
undetectable		 2x45A-3nt8A:
16.36
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.
3p02 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		4 SER A 302
TYR A 231
TYR A 225
ASP A 299
 EDO  A   3 ( 4.3A)
None
None
EDO  A   3 ( 4.9A)
 1.22A 2x45A-3p02A:
undetectable		 2x45A-3p02A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qz4 ENDO-1,4-BETA-XYLANA
SE D

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		4 TYR A 229
VAL A 222
TYR A 178
ASP A 169
 None
 1.21A 2x45A-3qz4A:
undetectable		 2x45A-3qz4A:
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.
3slc ACETATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		4 SER A 108
VAL A 103
TYR A  99
ASP A 106
 None
 1.45A 2x45A-3slcA:
undetectable		 2x45A-3slcA:
15.35
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.
3suj CERATO-PLATANIN 1

(Moniliophthora
perniciosa) 		PF07249
(Cerato-platanin) 		4 SER A  67
TYR A  82
VAL A 133
ASP A  69
 None
None
CL  A 206 ( 4.8A)
ZN  A 204 ( 2.1A)
 1.45A 2x45A-3sujA:
undetectable		 2x45A-3sujA:
19.48
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.
3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 SER A 199
VAL A 222
TYR A 227
ASP A 174
 None
 1.11A 2x45A-3sxfA:
undetectable		 2x45A-3sxfA:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3taw HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Parabacteroides
distasonis) 		PF04041
(Glyco_hydro_130) 		4 SER A 118
VAL A 377
TYR A 367
ASP A 120
 None
 1.47A 2x45A-3tawA:
undetectable		 2x45A-3tawA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w53 BETA-GLUCOSIDASE

(Micrococcus
antarcticus) 		PF00232
(Glyco_hydro_1) 		4 SER A  84
TYR A 105
VAL A 154
TYR A 150
 None
 1.47A 2x45A-3w53A:
undetectable		 2x45A-3w53A:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3whe HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 TYR A 100
VAL A 102
TYR A 105
ASP A  68
 None
 1.47A 2x45A-3wheA:
undetectable		 2x45A-3wheA:
13.59
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.
3wov OLIGOSACCHARYL
TRANSFERASE

(Pyrococcus
abyssi) 		no annotation 4 SER A 506
TYR A 508
VAL A 829
ASP A 862
 None
 1.31A 2x45A-3wovA:
undetectable		 2x45A-3wovA:
12.92
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.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 SER A 324
VAL A 390
ASP A 294
TRP A 295
 None
 1.13A 2x45A-4fzhA:
undetectable		 2x45A-4fzhA:
13.81
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.
4hbs PUTATIVE HYDROLASE

(Bacteroides
ovatus) 		PF16396
(DUF5005) 		4 TYR A 325
VAL A 318
TYR A 257
ASP A 249
 None
 1.29A 2x45A-4hbsA:
undetectable		 2x45A-4hbsA:
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.
4it4 CG17282

(Drosophila
melanogaster) 		no annotation 4 SER A  53
TYR A  55
VAL A  41
ASP A  80
 None
 1.31A 2x45A-4it4A:
undetectable		 2x45A-4it4A:
22.70
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.
4it6 CG17282

(Drosophila
melanogaster) 		no annotation 4 SER A  53
TYR A  55
VAL A  41
ASP A  80
 None
None
FMT  A 203 (-4.2A)
None
 1.37A 2x45A-4it6A:
undetectable		 2x45A-4it6A:
22.70
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.
4jx2 HYPOTHETICAL PROTEIN

(Legionella
pneumophila) 		no annotation 4 SER A 231
VAL A 220
TYR A 216
ASP A 228
 None
 1.34A 2x45A-4jx2A:
undetectable		 2x45A-4jx2A:
17.26
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.
4k91 D-ALA-D-ALA-CARBOXYP
EPTIDASE

(Pseudomonas
aeruginosa) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		4 SER A 217
TYR A 171
TYR A 165
ASP A 200
 None
 1.43A 2x45A-4k91A:
undetectable		 2x45A-4k91A:
15.43
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.
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos taurus) 		PF00085
(Thioredoxin)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 SER A 135
TYR A 139
VAL A 130
TRP A 230
 None
 1.39A 2x45A-4kcaA:
3.0		 2x45A-4kcaA:
10.79
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.
4kt5 GRLR

(Escherichia
coli) 		PF16518
(GrlR) 		4 TYR A  40
VAL A  54
TYR A  71
ASP A  35
 PG4  A 201 (-4.0A)
None
None
None
 1.46A 2x45A-4kt5A:
3.0		 2x45A-4kt5A:
21.57
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.
4n02 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Streptococcus
pneumoniae) 		PF01070
(FMN_dh) 		4 SER A 251
TYR A  57
VAL A  87
ASP A 202
 FNR  A 404 ( 4.4A)
None
None
None
 1.40A 2x45A-4n02A:
undetectable		 2x45A-4n02A:
15.19
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.
4p27 VENOM ALLERGEN-LIKE
(VAL) 4 PROTEIN

(Schistosoma
mansoni) 		PF00188
(CAP) 		4 TYR A  81
TYR A  58
ASP A  90
TRP A  91
 None
 1.25A 2x45A-4p27A:
undetectable		 2x45A-4p27A:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q85 RIBOSOMAL PROTEIN
S12
METHYLTHIOTRANSFERAS
E ACCESSORY FACTOR
YCAO

(Escherichia
coli) 		PF02624
(YcaO) 		4 SER A 162
VAL A 167
TYR A 371
ASP A 163
 None
 1.28A 2x45A-4q85A:
undetectable		 2x45A-4q85A:
11.95
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.
4qqs GLYCOSIDE HYDROLASE
FAMILY 43

(Halothermothrix
orenii) 		PF04616
(Glyco_hydro_43) 		4 TYR A 206
VAL A 199
TYR A 140
ASP A 132
 None
 1.11A 2x45A-4qqsA:
undetectable		 2x45A-4qqsA:
19.37
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.
4rgj CALCIUM-DEPENDENT
PROTEIN KINASE 4

(Plasmodium
falciparum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 SER A 417
VAL A 100
TYR A 144
ASP A 420
 None
 0.90A 2x45A-4rgjA:
undetectable		 2x45A-4rgjA:
15.68
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.
4u9c LACTOFERRIN-BINDING
PROTEIN B

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		4 SER A 334
VAL A 288
TYR A 271
ASP A 332
 None
 1.37A 2x45A-4u9cA:
undetectable		 2x45A-4u9cA:
18.55
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.
4uon CAPSID PROTEASE

(Aura virus) 		PF00944
(Peptidase_S3) 		4 SER A 162
TYR A 165
VAL A 248
TRP A 250
 None
 1.48A 2x45A-4uonA:
undetectable		 2x45A-4uonA:
23.21
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.
4xuy PROBABLE
ENDO-1,4-BETA-XYLANA
SE C

(Aspergillus
niger) 		PF00331
(Glyco_hydro_10) 		4 SER A  74
VAL A  96
TYR A 145
ASP A  48
 None
 1.48A 2x45A-4xuyA:
undetectable		 2x45A-4xuyA:
19.45
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.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		4 SER C 392
VAL C 345
TYR C 481
ASP C 385
 None
 1.25A 2x45A-4yfaC:
undetectable		 2x45A-4yfaC:
12.16
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.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		4 SER A 493
TYR A 397
VAL A 399
TYR A 402
 None
 1.07A 2x45A-4zxlA:
undetectable		 2x45A-4zxlA:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b2o CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Francisella
tularensis) 		no annotation 4 SER A1210
TYR A1140
VAL A1143
ASP A1207
 None
 1.36A 2x45A-5b2oA:
undetectable		 2x45A-5b2oA:
5.44
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.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		4 SER A 594
VAL A 547
TYR A 683
ASP A 587
 None
 1.31A 2x45A-5c9iA:
undetectable		 2x45A-5c9iA:
10.65
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.
5ine PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX

(Lymphocytic
choriomeningitis
mammarenavirus) 		PF00798
(Arena_glycoprot) 		4 SER A 275
TYR A 284
VAL A 304
ASP A 323
 None
 1.45A 2x45A-5ineA:
undetectable		 2x45A-5ineA:
14.35
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.
5izd D-GLYCERALDEHYDE
DEHYDROGENASE
(NADP(+))

(Thermoplasma
acidophilum) 		PF00171
(Aldedh) 		4 VAL A 395
TYR A 399
ASP A 417
TRP A 257
 None
 0.97A 2x45A-5izdA:
undetectable		 2x45A-5izdA:
15.70
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.
5k1c WD REPEAT-CONTAINING
PROTEIN 20

(Homo sapiens) 		PF00400
(WD40) 		4 SER C 171
TYR C 175
VAL C 167
ASP C 148
 None
 1.33A 2x45A-5k1cC:
undetectable		 2x45A-5k1cC:
13.18
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.
5k8f ACETYL-COENZYME A
SYNTHETASE

(Cryptococcus
neoformans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 SER A 339
VAL A 411
TYR A 380
TRP A 334
 None
ATP  A 703 (-4.8A)
None
6R9  A 704 ( 4.2A)
 1.16A 2x45A-5k8fA:
undetectable		 2x45A-5k8fA:
11.80
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.
5lpc VANADIUM-DEPENDENT
BROMOPEROXIDASE

(Acaryochloris
marina) 		no annotation 4 SER A 515
TYR A 595
VAL A 177
ASP A 598
 None
 1.37A 2x45A-5lpcA:
undetectable		 2x45A-5lpcA:
11.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5med ARACHIDONATE
15-LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		4 TYR A 163
VAL A 194
TYR A 196
ASP A 248
 None
 1.33A 2x45A-5medA:
undetectable		 2x45A-5medA:
15.20
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.
5ns8 -

(-) 		no annotation 4 SER A  16
VAL A  83
TYR A  99
ASP A 121
 None
 1.40A 2x45A-5ns8A:
undetectable		 2x45A-5ns8A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5okz EXOSOME COMPLEX
COMPONENT RRP4

(Saccharomyces
cerevisiae) 		PF14382
(ECR1_N)
PF15985
(KH_6) 		4 SER H 343
VAL H 328
TYR H 329
ASP H 347
 None
 1.28A 2x45A-5okzH:
undetectable		 2x45A-5okzH:
18.39
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.
5opt ACTIVATED PROTEIN
KINASE C RECEPTOR,
PUTATIVE

(Trypanosoma
cruzi) 		no annotation 4 SER p  45
VAL p 311
TYR p 301
ASP p  48
 None
 1.48A 2x45A-5optp:
undetectable		 2x45A-5optp:
18.50
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.
5tur SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		no annotation 4 SER A  59
VAL A  64
TYR A  38
ASP A  60
 None
 1.41A 2x45A-5turA:
undetectable		 2x45A-5turA:
12.92
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.
5u5g 6-PHOSPHOGLUCONATE
DEHYDROGENASE

(Pseudomonas
syringae) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 SER A 231
TYR A 224
VAL A 220
ASP A 278
 None
 1.23A 2x45A-5u5gA:
undetectable		 2x45A-5u5gA:
14.77
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.
5xtw MACROPHAGE MANNOSE
RECEPTOR 1

(Homo sapiens) 		no annotation 4 SER A 256
VAL A 228
TYR A 230
ASP A 294
 None
 1.49A 2x45A-5xtwA:
undetectable		 2x45A-5xtwA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y10 MEMBRANE
GLYCOPROTEIN
POLYPROTEIN

(SFTS
phlebovirus) 		PF07243
(Phlebovirus_G1) 		4 SER C  97
VAL C  80
TYR C  82
ASP C 100
 None
 1.27A 2x45A-5y10C:
undetectable		 2x45A-5y10C:
18.73
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.
6bnf PHOSPHOETHANOLAMINE
TRANSFERASE

(Moraxella sp.
HMSC061H09) 		no annotation 4 SER A 360
VAL A 271
ASP A 357
TRP A 355
 ACT  A 609 ( 4.7A)
None
None
None
 1.43A 2x45A-6bnfA:
undetectable		 2x45A-6bnfA:
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.
6bnf PHOSPHOETHANOLAMINE
TRANSFERASE

(Moraxella sp.
HMSC061H09) 		no annotation 4 SER A 360
VAL A 319
ASP A 357
TRP A 355
 ACT  A 609 ( 4.7A)
None
None
None
 1.46A 2x45A-6bnfA:
undetectable		 2x45A-6bnfA:
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.
6gu8 -

(-) 		no annotation 4 SER A 289
VAL A  68
TYR A 312
ASP A 325
 None
 1.26A 2x45A-6gu8A:
undetectable		 2x45A-6gu8A:
undetectable