SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_S_TFPS201_1

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.
1att ANTITHROMBIN III

(Bos taurus) 		PF00079
(Serpin) 		4 PHE A 107
PHE A 109
GLY A 340
PHE A 124
 None
 1.08A 3ko0K-1attA:
0.3
3ko0S-1attA:
0.3		 3ko0K-1attA:
11.81
3ko0S-1attA:
11.81
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.
1b8g PROTEIN
(1-AMINOCYCLOPROPANE
-1-CARBOXYLATE
SYNTHASE)

(Malus domestica) 		PF00155
(Aminotran_1_2) 		4 GLY A 404
MET A  43
CYH A 409
PHE A 410
 None
 1.02A 3ko0K-1b8gA:
0.0
3ko0S-1b8gA:
0.0		 3ko0K-1b8gA:
13.21
3ko0S-1b8gA:
13.21
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.
1brl BACTERIAL LUCIFERASE

(Vibrio harveyi) 		PF00296
(Bac_luciferase) 		4 PHE A 327
CYH A 324
PHE A   3
PHE A  36
 None
 1.09A 3ko0K-1brlA:
undetectable
3ko0S-1brlA:
undetectable		 3ko0K-1brlA:
15.34
3ko0S-1brlA:
15.34
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.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		4 PHE A 345
GLY A 123
MET A 445
PHE A 403
 CLL  A 801 ( 4.9A)
CLL  A 801 (-3.3A)
None
None
 1.09A 3ko0K-1cleA:
2.1
3ko0S-1cleA:
2.2		 3ko0K-1cleA:
10.15
3ko0S-1cleA:
10.15
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.
1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 PHE A 140
GLY A 119
CYH A  46
PHE A 359
 None
None
ZN  A 376 ( 2.3A)
None
 0.93A 3ko0K-1d1tA:
undetectable
3ko0S-1d1tA:
undetectable		 3ko0K-1d1tA:
15.01
3ko0S-1d1tA:
15.01
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.
1dx8 RUBREDOXIN

(Guillardia
theta) 		PF00301
(Rubredoxin) 		4 PHE A  41
PHE A  34
GLY A  27
CYH A  10
 None
None
None
ZN  A  71 (-2.3A)
 1.14A 3ko0K-1dx8A:
undetectable
3ko0S-1dx8A:
undetectable		 3ko0K-1dx8A:
21.36
3ko0S-1dx8A:
21.36
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.
1g59 GLUTAMYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00749
(tRNA-synt_1c) 		4 PHE A 373
GLY A 455
MET A 355
PHE A 365
 None
 1.12A 3ko0K-1g59A:
0.0
3ko0S-1g59A:
0.0		 3ko0K-1g59A:
12.15
3ko0S-1g59A:
12.15
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.
1h7v RUBREDOXIN

(Guillardia
theta) 		PF00301
(Rubredoxin) 		4 PHE A  41
PHE A  34
GLY A  27
CYH A  10
 None
None
None
ZN  A  61 (-2.3A)
 1.13A 3ko0K-1h7vA:
undetectable
3ko0S-1h7vA:
undetectable		 3ko0K-1h7vA:
21.78
3ko0S-1h7vA:
21.78
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.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 PHE A2647
GLY A2825
PHE A2636
PHE A2600
 None
 1.05A 3ko0K-1js8A:
undetectable
3ko0S-1js8A:
undetectable		 3ko0K-1js8A:
13.47
3ko0S-1js8A:
13.47
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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		4 GLY A 313
CYH A 329
PHE A 332
PHE A 351
 None
 1.13A 3ko0K-1kzhA:
1.6
3ko0S-1kzhA:
1.7		 3ko0K-1kzhA:
10.99
3ko0S-1kzhA:
10.99
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 GLY A 970
CYH A 871
PHE A 870
PHE A1174
 None
 0.94A 3ko0K-1ofeA:
0.0
3ko0S-1ofeA:
0.0		 3ko0K-1ofeA:
6.25
3ko0S-1ofeA:
6.25
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.
1psu PHENYLACETIC ACID
DEGRADATION PROTEIN
PAAI

(Escherichia
coli) 		PF03061
(4HBT) 		4 PHE A  84
GLY A  47
PHE A  57
PHE A 125
 None
 0.97A 3ko0K-1psuA:
undetectable
3ko0S-1psuA:
undetectable		 3ko0K-1psuA:
21.62
3ko0S-1psuA:
21.62
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA
CYTOCHROME C OXIDASE
POLYPEPTIDE III

(Paracoccus
denitrificans) 		PF00115
(COX1)
PF00510
(COX3) 		4 PHE A 204
GLY C  85
MET A 212
PHE A 215
 None
 1.13A 3ko0K-1qleA:
undetectable
3ko0S-1qleA:
undetectable		 3ko0K-1qleA:
10.65
3ko0S-1qleA:
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.
1qnr ENDO-1,4-B-D-MANNANA
SE

(Trichoderma
reesei) 		PF00150
(Cellulase) 		4 PHE A 240
PHE A 226
GLY A 254
PHE A 237
 None
 0.70A 3ko0K-1qnrA:
undetectable
3ko0S-1qnrA:
undetectable		 3ko0K-1qnrA:
13.95
3ko0S-1qnrA:
13.95
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.
1qwj CYTIDINE
MONOPHOSPHO-N-ACETYL
NEURAMINIC ACID
SYNTHETASE

(Mus musculus) 		PF02348
(CTP_transf_3) 		4 PHE A  83
GLY A 103
PHE A 215
PHE A 217
 None
 1.06A 3ko0K-1qwjA:
undetectable
3ko0S-1qwjA:
undetectable		 3ko0K-1qwjA:
15.95
3ko0S-1qwjA:
15.95
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 PHE A 521
GLY A 163
PHE A 269
PHE A 177
 None
 1.11A 3ko0K-1r8wA:
0.3
3ko0S-1r8wA:
0.2		 3ko0K-1r8wA:
9.70
3ko0S-1r8wA:
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 PHE A 521
GLY A 280
PHE A 269
PHE A 177
 None
 1.00A 3ko0K-1r8wA:
0.3
3ko0S-1r8wA:
0.2		 3ko0K-1r8wA:
9.70
3ko0S-1r8wA:
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 PHE A 660
GLY A 389
MET A 627
CYH A 513
 None
 0.94A 3ko0K-1rw9A:
0.7
3ko0S-1rw9A:
0.0		 3ko0K-1rw9A:
8.45
3ko0S-1rw9A:
8.45
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.
1t84 WISKOTT-ALDRICH
SYNDROME PROTEIN

(Homo sapiens) 		PF00786
(PBD) 		4 PHE A  52
PHE A  30
GLY A  80
PHE A  17
 None
None
None
WSK  A 108 (-3.7A)
 1.09A 3ko0K-1t84A:
0.0
3ko0S-1t84A:
0.0		 3ko0K-1t84A:
23.01
3ko0S-1t84A:
23.01
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.
1u2v ARP2/3 COMPLEX 20KDA
SUBUNIT
ARP2/3 COMPLEX 34KDA
SUBUNIT

(Bos taurus) 		PF04045
(P34-Arc)
PF05856
(ARPC4) 		4 PHE D 247
PHE F 164
GLY D 178
PHE F 168
 None
 1.09A 3ko0K-1u2vD:
0.7
3ko0S-1u2vD:
0.8		 3ko0K-1u2vD:
16.55
3ko0S-1u2vD:
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.
1v5s MAP/MICROTUBULE
AFFINITY-REGULATING
KINASE 3

(Mus musculus) 		PF02149
(KA1) 		4 PHE A  97
PHE A 107
GLY A 122
CYH A  67
 None
 0.82A 3ko0K-1v5sA:
undetectable
3ko0S-1v5sA:
undetectable		 3ko0K-1v5sA:
23.26
3ko0S-1v5sA:
23.26
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 PHE A  82
GLY A  89
PHE A  95
PHE A 120
 None
 1.10A 3ko0K-1xc6A:
undetectable
3ko0S-1xc6A:
undetectable		 3ko0K-1xc6A:
6.85
3ko0S-1xc6A:
6.85
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.
2b4x ANTITHROMBIN-III

(Homo sapiens) 		PF00079
(Serpin) 		4 PHE I 106
PHE I 108
GLY I 339
PHE I 123
 None
 0.82A 3ko0K-2b4xI:
undetectable
3ko0S-2b4xI:
undetectable		 3ko0K-2b4xI:
15.12
3ko0S-2b4xI:
15.12
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 PHE A 125
GLY A  59
PHE A  36
PHE A  38
 None
 1.12A 3ko0K-2bwgA:
undetectable
3ko0S-2bwgA:
undetectable		 3ko0K-2bwgA:
13.22
3ko0S-2bwgA:
13.22
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.
2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Homo sapiens) 		PF00698
(Acyl_transf_1) 		4 PHE A 211
GLY A 183
PHE A 170
PHE A 219
 None
 0.89A 3ko0K-2c2nA:
undetectable
3ko0S-2c2nA:
undetectable		 3ko0K-2c2nA:
13.91
3ko0S-2c2nA:
13.91
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.
2d7s RNA-DEPENDENT RNA
POLYMERASE

(Foot-and-mouth
disease virus) 		PF00680
(RdRP_1) 		4 PHE A 199
GLY A 208
PHE A 265
PHE A 267
 None
 1.10A 3ko0K-2d7sA:
undetectable
3ko0S-2d7sA:
undetectable		 3ko0K-2d7sA:
12.39
3ko0S-2d7sA:
12.39
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.
2eng ENDOGLUCANASE V

(Humicola
insolens) 		PF02015
(Glyco_hydro_45) 		4 PHE A 174
GLY A 149
PHE A 182
PHE A  94
 None
 1.13A 3ko0K-2engA:
undetectable
3ko0S-2engA:
undetectable		 3ko0K-2engA:
18.57
3ko0S-2engA:
18.57
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 PHE A 210
GLY A 448
PHE A 411
PHE A 396
 None
 1.12A 3ko0K-2g3nA:
undetectable
3ko0S-2g3nA:
undetectable		 3ko0K-2g3nA:
11.28
3ko0S-2g3nA:
11.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gmi UBIQUITIN-CONJUGATIN
G ENZYME VARIANT
MMS2

(Saccharomyces
cerevisiae) 		PF00179
(UQ_con) 		4 PHE B  77
PHE B 137
GLY B  43
CYH B  85
 None
 0.98A 3ko0K-2gmiB:
1.1
3ko0S-2gmiB:
1.0		 3ko0K-2gmiB:
20.15
3ko0S-2gmiB:
20.15
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.
2jok PUTATIVE
G-NUCLEOTIDE
EXCHANGE FACTOR

(Burkholderia
pseudomallei) 		PF07487
(SopE_GEF) 		4 GLY A 171
MET A 132
CYH A 131
PHE A 130
 None
 1.07A 3ko0K-2jokA:
undetectable
3ko0S-2jokA:
undetectable		 3ko0K-2jokA:
17.20
3ko0S-2jokA:
17.20
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.
2jok PUTATIVE
G-NUCLEOTIDE
EXCHANGE FACTOR

(Burkholderia
pseudomallei) 		PF07487
(SopE_GEF) 		4 GLY A 173
MET A 132
CYH A 131
PHE A 130
 None
 1.08A 3ko0K-2jokA:
undetectable
3ko0S-2jokA:
undetectable		 3ko0K-2jokA:
17.20
3ko0S-2jokA:
17.20
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.
2lf2 UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF08327
(AHSA1) 		4 PHE A  92
GLY A  62
PHE A  35
PHE A 118
 None
 1.06A 3ko0K-2lf2A:
undetectable
3ko0S-2lf2A:
undetectable		 3ko0K-2lf2A:
22.49
3ko0S-2lf2A:
22.49
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.
2mqs MATRIX
METALLOPROTEINASE-14

(Homo sapiens) 		PF00045
(Hemopexin) 		4 PHE A 336
GLY A 352
PHE A 390
PHE A 381
 None
 1.08A 3ko0K-2mqsA:
undetectable
3ko0S-2mqsA:
undetectable		 3ko0K-2mqsA:
24.71
3ko0S-2mqsA:
24.71
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		4 PHE A 117
GLY A  86
PHE A 100
PHE A  72
 None
 1.10A 3ko0K-2qy6A:
undetectable
3ko0S-2qy6A:
undetectable		 3ko0K-2qy6A:
18.18
3ko0S-2qy6A:
18.18
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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 PHE A 197
PHE A 349
GLY A 211
PHE A 601
 None
 1.04A 3ko0K-2xr1A:
undetectable
3ko0S-2xr1A:
undetectable		 3ko0K-2xr1A:
9.52
3ko0S-2xr1A:
9.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfu CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		no annotation 4 PHE A  27
GLY A  14
PHE A  77
PHE A 134
 GOL  A1143 (-4.6A)
None
None
None
 1.06A 3ko0K-2yfuA:
undetectable
3ko0S-2yfuA:
undetectable		 3ko0K-2yfuA:
24.10
3ko0S-2yfuA:
24.10
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.
3a14 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Thermotoga
maritima) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 PHE A 208
PHE A 309
GLY A  95
PHE A 293
 None
 1.12A 3ko0K-3a14A:
undetectable
3ko0S-3a14A:
undetectable		 3ko0K-3a14A:
14.79
3ko0S-3a14A:
14.79
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 PHE A 118
GLY A 100
PHE A  74
PHE A 777
 None
 1.09A 3ko0K-3abzA:
undetectable
3ko0S-3abzA:
undetectable		 3ko0K-3abzA:
9.16
3ko0S-3abzA:
9.16
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.
3cea MYO-INOSITOL
2-DEHYDROGENASE

(Lactobacillus
plantarum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 PHE A 172
PHE A 169
GLY A  16
MET A 185
 NAD  A 400 (-4.4A)
None
NAD  A 400 (-3.3A)
None
 0.88A 3ko0K-3ceaA:
undetectable
3ko0S-3ceaA:
undetectable		 3ko0K-3ceaA:
15.03
3ko0S-3ceaA:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dmc NTF2-LIKE PROTEIN

(Trichormus
variabilis) 		PF12680
(SnoaL_2) 		4 PHE A  40
GLY A 116
PHE A  20
PHE A  63
 None
 1.09A 3ko0K-3dmcA:
undetectable
3ko0S-3dmcA:
undetectable		 3ko0K-3dmcA:
23.19
3ko0S-3dmcA:
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.
3k17 LIN0012 PROTEIN

(Listeria
innocua) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 PHE A 217
PHE A 327
GLY A 220
PHE A 264
 None
 1.01A 3ko0K-3k17A:
undetectable
3ko0S-3k17A:
undetectable		 3ko0K-3k17A:
14.88
3ko0S-3k17A:
14.88
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.
3l5k HALOACID
DEHALOGENASE-LIKE
HYDROLASE
DOMAIN-CONTAINING
PROTEIN 1A

(Homo sapiens) 		PF13419
(HAD_2) 		4 PHE A 130
MET A  15
PHE A  13
PHE A 134
 None
 0.88A 3ko0K-3l5kA:
undetectable
3ko0S-3l5kA:
undetectable		 3ko0K-3l5kA:
18.44
3ko0S-3l5kA:
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		4 PHE A 450
PHE A 410
GLY A 371
PHE A 437
 None
 1.04A 3ko0K-3lvvA:
undetectable
3ko0S-3lvvA:
undetectable		 3ko0K-3lvvA:
10.31
3ko0S-3lvvA:
10.31
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.
3lxz GLUTATHIONE
S-TRANSFERASE FAMILY
PROTEIN

(Pseudomonas
putida) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		4 PHE A 133
PHE A 181
GLY A 169
PHE A 142
 None
 1.00A 3ko0K-3lxzA:
undetectable
3ko0S-3lxzA:
undetectable		 3ko0K-3lxzA:
19.65
3ko0S-3lxzA:
19.65
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.
3oaj PUTATIVE
RING-CLEAVING
DIOXYGENASE MHQO

(Bacillus
subtilis) 		PF00903
(Glyoxalase) 		4 PHE A  51
PHE A  64
GLY A 284
PHE A  25
 None
 1.06A 3ko0K-3oajA:
undetectable
3ko0S-3oajA:
undetectable		 3ko0K-3oajA:
15.87
3ko0S-3oajA:
15.87
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.
3oix DIHYDROOROTATE
OXIDASE
PUTATIVE
DIHYDROOROTATE
DEHYDROGENASE

(Streptococcus
mutans) 		PF01180
(DHO_dh) 		4 PHE A 281
GLY A 248
CYH A  25
PHE A  42
 None
FMN  A 400 (-3.3A)
MLY  A  45 ( 3.2A)
None
 1.08A 3ko0K-3oixA:
undetectable
3ko0S-3oixA:
undetectable		 3ko0K-3oixA:
12.75
3ko0S-3oixA:
12.75
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.
3q71 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF01661
(Macro) 		4 PHE A1144
GLY A1074
PHE A1169
PHE A1182
 None
 1.13A 3ko0K-3q71A:
undetectable
3ko0S-3q71A:
undetectable		 3ko0K-3q71A:
16.74
3ko0S-3q71A:
16.74
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.
3qre ENOYL-COA HYDRATASE,
ECHA12_1

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		4 PHE A 104
GLY A  34
MET A 130
CYH A 131
 None
 1.08A 3ko0K-3qreA:
undetectable
3ko0S-3qreA:
undetectable		 3ko0K-3qreA:
16.15
3ko0S-3qreA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t5v NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		4 PHE B  16
CYH B  65
PHE B  68
PHE B  90
 None
 0.84A 3ko0K-3t5vB:
undetectable
3ko0S-3t5vB:
undetectable		 3ko0K-3t5vB:
13.08
3ko0S-3t5vB:
13.08
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.
3tze TRYPTOPHANYL-TRNA
SYNTHETASE

(Encephalitozoon
cuniculi) 		PF00579
(tRNA-synt_1b) 		4 PHE A 169
GLY A 201
CYH A 210
PHE A 215
 None
 0.86A 3ko0K-3tzeA:
undetectable
3ko0S-3tzeA:
undetectable		 3ko0K-3tzeA:
13.90
3ko0S-3tzeA:
13.90
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.
3ujh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Toxoplasma
gondii) 		PF00342
(PGI) 		4 PHE A 216
GLY A 157
CYH A 248
PHE A 247
 None
G6Q  A 571 ( 3.3A)
None
None
 0.92A 3ko0K-3ujhA:
2.0
3ko0S-3ujhA:
1.7		 3ko0K-3ujhA:
9.95
3ko0S-3ujhA:
9.95
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLY A1621
CYH A1351
PHE A1331
PHE A1271
 None
 1.11A 3ko0K-3va7A:
undetectable
3ko0S-3va7A:
undetectable		 3ko0K-3va7A:
5.82
3ko0S-3va7A:
5.82
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.
3vgj TYROSYL-TRNA
SYNTHETASE, PUTATIVE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		4 PHE A 120
GLY A  62
MET A 259
PHE A 353
 None
TYR  A 401 ( 3.3A)
None
None
 0.97A 3ko0K-3vgjA:
undetectable
3ko0S-3vgjA:
undetectable		 3ko0K-3vgjA:
15.55
3ko0S-3vgjA:
15.55
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.
3wfl BETA-MANNANASE

(Talaromyces
trachyspermus) 		PF00150
(Cellulase) 		4 PHE A 273
PHE A 259
GLY A 287
PHE A 270
 None
 0.69A 3ko0K-3wflA:
undetectable
3ko0S-3wflA:
undetectable		 3ko0K-3wflA:
13.24
3ko0S-3wflA:
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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		4 PHE A 240
PHE A 226
GLY A 254
PHE A 237
 None
 0.73A 3ko0K-3zizA:
undetectable
3ko0S-3zizA:
undetectable		 3ko0K-3zizA:
11.52
3ko0S-3zizA:
11.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zy3 PUTATIVE GDP-FUCOSE
PROTEIN
O-FUCOSYLTRANSFERASE
1

(Caenorhabditis
elegans) 		PF10250
(O-FucT) 		4 PHE A 118
PHE A 192
GLY A 156
PHE A  54
 None
 1.09A 3ko0K-3zy3A:
undetectable
3ko0S-3zy3A:
undetectable		 3ko0K-3zy3A:
16.10
3ko0S-3zy3A:
16.10
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.
4dw1 P2X PURINOCEPTOR

(Danio rerio) 		PF00864
(P2X_receptor) 		4 PHE A 322
PHE A 102
GLY A 253
PHE A 233
 None
 0.87A 3ko0K-4dw1A:
undetectable
3ko0S-4dw1A:
undetectable		 3ko0K-4dw1A:
13.78
3ko0S-4dw1A:
13.78
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.
4fch OUTER MEMBRANE
PROTEIN SUSE

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE) 		4 PHE A 340
GLY A 289
PHE A 314
PHE A 379
 None
 0.97A 3ko0K-4fchA:
undetectable
3ko0S-4fchA:
undetectable		 3ko0K-4fchA:
15.07
3ko0S-4fchA:
15.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fe9 OUTER MEMBRANE
PROTEIN SUSF

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE)
PF17142
(DUF5115) 		4 PHE A 446
GLY A 389
PHE A 416
PHE A 477
 None
None
None
EDO  A 511 ( 4.9A)
 1.03A 3ko0K-4fe9A:
undetectable
3ko0S-4fe9A:
undetectable		 3ko0K-4fe9A:
11.54
3ko0S-4fe9A:
11.54
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.
4fem OUTER MEMBRANE
PROTEIN SUSE

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE) 		4 PHE A 340
GLY A 289
PHE A 314
PHE A 379
 None
 0.94A 3ko0K-4femA:
undetectable
3ko0S-4femA:
undetectable		 3ko0K-4femA:
15.73
3ko0S-4femA:
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.
4ga7 LEUKOCYTE ELASTASE
INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		4 PHE A  58
PHE A  60
GLY A 292
PHE A  70
 None
 1.03A 3ko0K-4ga7A:
undetectable
3ko0S-4ga7A:
undetectable		 3ko0K-4ga7A:
14.47
3ko0S-4ga7A:
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.
4h41 PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF14488
(DUF4434)
PF17134
(DUF5109) 		4 PHE A 203
GLY A 198
CYH A 266
PHE A 220
 None
PE4  A 405 ( 3.1A)
None
None
 1.12A 3ko0K-4h41A:
undetectable
3ko0S-4h41A:
undetectable		 3ko0K-4h41A:
16.76
3ko0S-4h41A:
16.76
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.
4hva CASPASE-6

(Homo sapiens) 		PF00656
(Peptidase_C14) 		4 GLY A 153
MET A 208
CYH A 209
PHE A 278
 None
 1.12A 3ko0K-4hvaA:
undetectable
3ko0S-4hvaA:
undetectable		 3ko0K-4hvaA:
16.34
3ko0S-4hvaA:
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.
4ibn RIBONUCLEASE H

(uncultured
organism) 		PF00075
(RNase_H) 		4 PHE A  93
PHE A  79
GLY A  39
MET A 104
 None
 1.11A 3ko0K-4ibnA:
undetectable
3ko0S-4ibnA:
undetectable		 3ko0K-4ibnA:
16.82
3ko0S-4ibnA:
16.82
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.
4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		4 PHE A 124
GLY A 131
MET A  87
PHE A 137
 None
None
None
OXL  A 401 (-4.5A)
 1.04A 3ko0K-4jn6A:
undetectable
3ko0S-4jn6A:
undetectable		 3ko0K-4jn6A:
14.93
3ko0S-4jn6A:
14.93
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.
4jre NITRITE EXTRUSION
PROTEIN 1

(Escherichia
coli) 		PF07690
(MFS_1) 		4 PHE A 285
GLY A 343
PHE A 352
PHE A 277
 None
 1.10A 3ko0K-4jreA:
1.1
3ko0S-4jreA:
1.1		 3ko0K-4jreA:
12.10
3ko0S-4jreA:
12.10
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.
4lt6 POLY(A) POLYMERASE
GAMMA

(Homo sapiens) 		PF01909
(NTP_transf_2)
PF04926
(PAP_RNA-bind)
PF04928
(PAP_central) 		4 PHE A 132
GLY A  93
PHE A 160
PHE A 158
 None
 1.11A 3ko0K-4lt6A:
undetectable
3ko0S-4lt6A:
undetectable		 3ko0K-4lt6A:
12.50
3ko0S-4lt6A:
12.50
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.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae) 		PF00873
(ACR_tran) 		4 PHE A 481
GLY A  23
PHE A  11
PHE A   5
 None
 1.11A 3ko0K-4mt1A:
undetectable
3ko0S-4mt1A:
undetectable		 3ko0K-4mt1A:
7.01
3ko0S-4mt1A:
7.01
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.
4n54 INOSITOL
DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 PHE A 170
PHE A 167
GLY A  14
MET A 183
 NAI  A 401 (-4.1A)
None
NAI  A 401 (-3.1A)
2H3  A 402 (-3.5A)
 0.92A 3ko0K-4n54A:
undetectable
3ko0S-4n54A:
undetectable		 3ko0K-4n54A:
13.88
3ko0S-4n54A:
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.
4qs9 HEXOKINASE-1

(Arabidopsis
thaliana) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 PHE A 178
PHE A 176
GLY A 254
PHE A 144
 None
None
BGC  A 501 ( 3.7A)
None
 1.10A 3ko0K-4qs9A:
undetectable
3ko0S-4qs9A:
undetectable		 3ko0K-4qs9A:
11.11
3ko0S-4qs9A:
11.11
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.
4rcm METHYLATED
RNA-BINDING PROTEIN
1

(Saccharomyces
cerevisiae) 		PF04146
(YTH) 		4 GLY A 175
CYH A 213
PHE A 212
PHE A 290
 UNX  A 405 ( 4.2A)
None
None
None
 1.13A 3ko0K-4rcmA:
undetectable
3ko0S-4rcmA:
undetectable		 3ko0K-4rcmA:
22.02
3ko0S-4rcmA:
22.02
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.
4u8h CRYPTOCHROME-2

(Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 PHE A 427
GLY A 386
CYH A 333
PHE A 423
 None
 1.09A 3ko0K-4u8hA:
undetectable
3ko0S-4u8hA:
undetectable		 3ko0K-4u8hA:
11.93
3ko0S-4u8hA:
11.93
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.
4u8t ZYRO0G01672P

(Zygosaccharomyces
rouxii) 		PF04146
(YTH) 		4 GLY A 198
CYH A 236
PHE A 235
PHE A 313
 None
 1.04A 3ko0K-4u8tA:
undetectable
3ko0S-4u8tA:
undetectable		 3ko0K-4u8tA:
19.21
3ko0S-4u8tA:
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.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		4 PHE A 201
PHE A 138
GLY A  63
MET A 107
 None
 1.04A 3ko0K-4x5sA:
undetectable
3ko0S-4x5sA:
undetectable		 3ko0K-4x5sA:
19.90
3ko0S-4x5sA:
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.
4xdq GLYCOSIDE HYDROLASE
FAMILY PROTEIN

(Mycolicibacterium
thermoresistibile) 		PF00722
(Glyco_hydro_16) 		4 PHE A 195
PHE A 206
GLY A 192
PHE A 147
 None
 0.88A 3ko0K-4xdqA:
undetectable
3ko0S-4xdqA:
undetectable		 3ko0K-4xdqA:
14.87
3ko0S-4xdqA:
14.87
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.
5cvz COAT PROTEIN

(Panicum
papanivirus 1) 		no annotation 4 PHE A 147
GLY A  51
PHE A  39
PHE A  60
 None
 0.93A 3ko0K-5cvzA:
undetectable
3ko0S-5cvzA:
undetectable		 3ko0K-5cvzA:
16.77
3ko0S-5cvzA:
16.77
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.
5d8w ENDOGLUCANASE

(Ganoderma
lucidum) 		PF00150
(Cellulase) 		4 PHE A  75
GLY A  59
PHE A  24
PHE A 273
 None
 1.09A 3ko0K-5d8wA:
undetectable
3ko0S-5d8wA:
undetectable		 3ko0K-5d8wA:
11.58
3ko0S-5d8wA:
11.58
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.
5ei0 SERPIN A12

(Homo sapiens) 		PF00079
(Serpin) 		4 PHE A 102
PHE A 104
GLY A 327
PHE A 116
 None
 0.84A 3ko0K-5ei0A:
undetectable
3ko0S-5ei0A:
undetectable		 3ko0K-5ei0A:
13.45
3ko0S-5ei0A:
13.45
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.
5f1c PUTATIVE
UNCHARACTERIZED
PROTEIN

(Amblyomma
maculatum) 		PF00864
(P2X_receptor) 		4 PHE A 333
PHE A 110
GLY A 270
PHE A 250
 None
 0.96A 3ko0K-5f1cA:
undetectable
3ko0S-5f1cA:
undetectable		 3ko0K-5f1cA:
12.78
3ko0S-5f1cA:
12.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f2o FATTY ACID
O-METHYLTRANSFERASE

(Mycobacterium
marinum) 		PF03492
(Methyltransf_7) 		4 PHE A 195
GLY A  64
PHE A 274
PHE A 268
 None
SAH  A 400 (-3.8A)
None
None
 1.02A 3ko0K-5f2oA:
undetectable
3ko0S-5f2oA:
undetectable		 3ko0K-5f2oA:
13.62
3ko0S-5f2oA:
13.62
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.
5fsz MACRODOMAIN

(Trypanosoma
cruzi) 		PF01661
(Macro) 		4 GLY A 172
CYH A 200
PHE A 199
PHE A 238
 None
 1.11A 3ko0K-5fszA:
undetectable
3ko0S-5fszA:
undetectable		 3ko0K-5fszA:
16.67
3ko0S-5fszA:
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.
5hdm GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3) 		4 PHE A 366
GLY A 362
PHE A 391
PHE A 387
 None
 1.10A 3ko0K-5hdmA:
undetectable
3ko0S-5hdmA:
undetectable		 3ko0K-5hdmA:
15.70
3ko0S-5hdmA:
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.
5hgc SERPIN

(Taeniopygia
guttata) 		PF00079
(Serpin) 		4 PHE A 195
PHE A 389
GLY A 114
PHE A  56
 None
 1.13A 3ko0K-5hgcA:
undetectable
3ko0S-5hgcA:
undetectable		 3ko0K-5hgcA:
12.37
3ko0S-5hgcA:
12.37
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLY A1621
CYH A1351
PHE A1331
PHE A1271
 None
 1.11A 3ko0K-5i8iA:
undetectable
3ko0S-5i8iA:
undetectable		 3ko0K-5i8iA:
4.13
3ko0S-5i8iA:
4.13
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 PHE A  82
GLY A  89
PHE A  95
PHE A 120
 None
 1.10A 3ko0K-5ihrA:
undetectable
3ko0S-5ihrA:
undetectable		 3ko0K-5ihrA:
6.99
3ko0S-5ihrA:
6.99
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 PHE A 120
GLY A 136
CYH A  92
PHE A  82
 None
 1.04A 3ko0K-5ihrA:
undetectable
3ko0S-5ihrA:
undetectable		 3ko0K-5ihrA:
6.99
3ko0S-5ihrA:
6.99
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.
5mdx PHOTOSYSTEM II CP43
REACTION CENTER
PROTEIN
PHOTOSYSTEM II
PROTEIN D1

(Arabidopsis
thaliana) 		PF00124
(Photo_RC)
PF00421
(PSII) 		4 PHE C 292
GLY A  90
CYH C 287
PHE C 289
 None
None
None
CLA  C 503 (-3.5A)
 1.03A 3ko0K-5mdxC:
undetectable
3ko0S-5mdxC:
undetectable		 3ko0K-5mdxC:
12.11
3ko0S-5mdxC:
12.11
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.
5mzh DYNEIN ASSEMBLY
FACTOR WITH WDR
REPEAT DOMAINS 1

(Chlamydomonas
reinhardtii) 		PF00400
(WD40) 		4 PHE A 109
PHE A 102
GLY A 112
PHE A  87
 None
 1.01A 3ko0K-5mzhA:
undetectable
3ko0S-5mzhA:
undetectable		 3ko0K-5mzhA:
12.61
3ko0S-5mzhA:
12.61
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 4 PHE A 157
GLY A 138
PHE A 112
PHE A 800
 None
 1.13A 3ko0K-5nbsA:
undetectable
3ko0S-5nbsA:
undetectable		 3ko0K-5nbsA:
18.81
3ko0S-5nbsA:
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.
5ols RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 PHE A 170
PHE A 159
GLY A 188
PHE A 141
 None
 1.13A 3ko0K-5olsA:
undetectable
3ko0S-5olsA:
undetectable		 3ko0K-5olsA:
11.55
3ko0S-5olsA:
11.55
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 5 PHE B 301
PHE B 332
GLY B 298
PHE B 317
PHE B 314
 None
 1.34A 3ko0K-5swiB:
undetectable
3ko0S-5swiB:
undetectable		 3ko0K-5swiB:
10.84
3ko0S-5swiB:
10.84
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 PHE B 306
GLY B 340
PHE B 328
PHE B 314
 None
 1.07A 3ko0K-5swiB:
undetectable
3ko0S-5swiB:
undetectable		 3ko0K-5swiB:
10.84
3ko0S-5swiB:
10.84
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 PHE B 317
PHE B 314
PHE B 301
PHE B 332
 None
 1.09A 3ko0K-5swiB:
undetectable
3ko0S-5swiB:
undetectable		 3ko0K-5swiB:
10.84
3ko0S-5swiB:
10.84
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 PHE B 328
GLY B 361
PHE B 270
PHE B  33
 None
 1.06A 3ko0K-5swiB:
undetectable
3ko0S-5swiB:
undetectable		 3ko0K-5swiB:
10.84
3ko0S-5swiB:
10.84
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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 4 PHE A 274
GLY A 193
CYH A 243
PHE A 264
 None
 1.12A 3ko0K-5ta1A:
undetectable
3ko0S-5ta1A:
undetectable		 3ko0K-5ta1A:
9.09
3ko0S-5ta1A:
9.09
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.
5u1w P2X PURINOCEPTOR

(Ailuropoda
melanoleuca) 		PF00864
(P2X_receptor) 		4 PHE A 317
PHE A 102
GLY A 249
PHE A 229
 None
 0.84A 3ko0K-5u1wA:
undetectable
3ko0S-5u1wA:
undetectable		 3ko0K-5u1wA:
12.43
3ko0S-5u1wA:
12.43
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.
5xw6 P2X PURINOCEPTOR

(Gallus gallus) 		no annotation 4 PHE C 304
PHE C  90
GLY C 237
PHE C 217
 None
 0.87A 3ko0K-5xw6C:
undetectable
3ko0S-5xw6C:
undetectable		 3ko0K-5xw6C:
13.15
3ko0S-5xw6C:
13.15
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.
6acd -

(-) 		no annotation 4 PHE A1034
GLY A1026
PHE A 782
PHE A 784
 None
 1.09A 3ko0K-6acdA:
1.2
3ko0S-6acdA:
1.2		 3ko0K-6acdA:
undetectable
3ko0S-6acdA:
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.
6c5x SUPPRESSOR OF
CYTOKINE SIGNALLING
1

(Xenopus laevis) 		no annotation 4 PHE D  79
GLY D  99
PHE D 209
PHE D 207
 None
 0.89A 3ko0K-6c5xD:
undetectable
3ko0S-6c5xD:
undetectable		 3ko0K-6c5xD:
21.78
3ko0S-6c5xD:
21.78
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.
6fj4 ENDO-1,4-BETA-XYLANA
SE Y

(Ruminiclostridium
thermocellum) 		no annotation 4 PHE A 860
GLY A 865
PHE A1011
PHE A1074
 None
SEP  A 954 ( 3.7A)
None
None
 0.90A 3ko0K-6fj4A:
undetectable
3ko0S-6fj4A:
undetectable		 3ko0K-6fj4A:
17.27
3ko0S-6fj4A:
17.27