SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_T_TFPT201_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
 1.10A 3ko0R-1attA:
0.3
3ko0T-1attA:
0.3		 3ko0R-1attA:
11.81
3ko0T-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
 1.10A 3ko0R-1b8gA:
0.0
3ko0T-1b8gA:
undetectable		 3ko0R-1b8gA:
13.21
3ko0T-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.
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 3ko0R-1cleA:
2.3
3ko0T-1cleA:
2.3		 3ko0R-1cleA:
10.15
3ko0T-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.
1g2p ADENINE
PHOSPHORIBOSYLTRANSF
ERASE 1

(Saccharomyces
cerevisiae) 		PF00156
(Pribosyltran) 		4 PHE A 157
GLY A 136
PHE A 175
PHE A  47
 None
SO4  A 301 (-3.8A)
None
None
 1.12A 3ko0R-1g2pA:
undetectable
3ko0T-1g2pA:
undetectable		 3ko0R-1g2pA:
20.86
3ko0T-1g2pA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.06A 3ko0R-1kzhA:
1.7
3ko0T-1kzhA:
undetectable		 3ko0R-1kzhA:
10.99
3ko0T-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.
1lvg GUANYLATE KINASE

(Mus musculus) 		PF00625
(Guanylate_kin) 		4 GLY A 106
CYH A  98
PHE A  32
PHE A  25
 5GP  A1202 (-3.2A)
None
None
None
 1.12A 3ko0R-1lvgA:
0.0
3ko0T-1lvgA:
undetectable		 3ko0R-1lvgA:
20.83
3ko0T-1lvgA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.92A 3ko0R-1ofeA:
0.0
3ko0T-1ofeA:
undetectable		 3ko0R-1ofeA:
6.25
3ko0T-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
 1.02A 3ko0R-1psuA:
undetectable
3ko0T-1psuA:
undetectable		 3ko0R-1psuA:
21.62
3ko0T-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.
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
 0.62A 3ko0R-1qnrA:
undetectable
3ko0T-1qnrA:
undetectable		 3ko0R-1qnrA:
13.95
3ko0T-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.
1qnr ENDO-1,4-B-D-MANNANA
SE

(Trichoderma
reesei) 		PF00150
(Cellulase) 		4 PHE A 240
PHE A 226
GLY A 256
PHE A 237
 None
 1.07A 3ko0R-1qnrA:
undetectable
3ko0T-1qnrA:
undetectable		 3ko0R-1qnrA:
13.95
3ko0T-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.
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
 1.12A 3ko0R-1r8wA:
0.3
3ko0T-1r8wA:
0.2		 3ko0R-1r8wA:
9.70
3ko0T-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
 0.93A 3ko0R-1r8wA:
0.3
3ko0T-1r8wA:
0.2		 3ko0R-1r8wA:
9.70
3ko0T-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
 0.95A 3ko0R-1rw9A:
0.1
3ko0T-1rw9A:
undetectable		 3ko0R-1rw9A:
8.45
3ko0T-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.
1s1d APYRASE

(Homo sapiens) 		PF06079
(Apyrase) 		4 PHE A 227
PHE A 277
GLY A 160
PHE A 279
 None
 1.00A 3ko0R-1s1dA:
undetectable
3ko0T-1s1dA:
undetectable		 3ko0R-1s1dA:
13.98
3ko0T-1s1dA:
13.98
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.
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)
 1.03A 3ko0R-1t84A:
0.0
3ko0T-1t84A:
undetectable		 3ko0R-1t84A:
23.01
3ko0T-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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		4 PHE C  12
PHE C 120
GLY C 266
PHE C  10
 None
 0.91A 3ko0R-1usyC:
undetectable
3ko0T-1usyC:
undetectable		 3ko0R-1usyC:
16.79
3ko0T-1usyC:
16.79
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.
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
 0.96A 3ko0R-1v5sA:
undetectable
3ko0T-1v5sA:
undetectable		 3ko0R-1v5sA:
23.26
3ko0T-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
 1.13A 3ko0R-1xc6A:
undetectable
3ko0T-1xc6A:
undetectable		 3ko0R-1xc6A:
6.85
3ko0T-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
 0.92A 3ko0R-2b4xI:
undetectable
3ko0T-2b4xI:
0.0		 3ko0R-2b4xI:
15.12
3ko0T-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.
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
 0.99A 3ko0R-2c2nA:
undetectable
3ko0T-2c2nA:
0.3		 3ko0R-2c2nA:
13.91
3ko0T-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.
2eng ENDOGLUCANASE V

(Humicola
insolens) 		PF02015
(Glyco_hydro_45) 		4 PHE A 174
GLY A 149
PHE A 182
PHE A  94
 None
 1.12A 3ko0R-2engA:
undetectable
3ko0T-2engA:
undetectable		 3ko0R-2engA:
18.57
3ko0T-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 447
PHE A 411
PHE A 396
 None
 1.09A 3ko0R-2g3nA:
undetectable
3ko0T-2g3nA:
undetectable		 3ko0R-2g3nA:
11.28
3ko0T-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.
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
 0.94A 3ko0R-2g3nA:
undetectable
3ko0T-2g3nA:
undetectable		 3ko0R-2g3nA:
11.28
3ko0T-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
 0.92A 3ko0R-2gmiB:
undetectable
3ko0T-2gmiB:
1.2		 3ko0R-2gmiB:
20.15
3ko0T-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
 0.97A 3ko0R-2jokA:
undetectable
3ko0T-2jokA:
undetectable		 3ko0R-2jokA:
17.20
3ko0T-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
 1.07A 3ko0R-2jokA:
undetectable
3ko0T-2jokA:
undetectable		 3ko0R-2jokA:
17.20
3ko0T-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.
2mqs MATRIX
METALLOPROTEINASE-14

(Homo sapiens) 		PF00045
(Hemopexin) 		4 PHE A 336
GLY A 352
PHE A 390
PHE A 381
 None
 0.95A 3ko0R-2mqsA:
undetectable
3ko0T-2mqsA:
undetectable		 3ko0R-2mqsA:
24.71
3ko0T-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.
2nq9 ENDONUCLEASE 4

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		4 PHE A  29
GLY A 214
CYH A  98
PHE A  52
 None
 1.11A 3ko0R-2nq9A:
undetectable
3ko0T-2nq9A:
undetectable		 3ko0R-2nq9A:
16.31
3ko0T-2nq9A:
16.31
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.
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 3ko0R-2qy6A:
undetectable
3ko0T-2qy6A:
undetectable		 3ko0R-2qy6A:
18.18
3ko0T-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.
2uyd HEMOPHORE HASA

(Serratia
marcescens) 		PF06438
(HasA) 		4 PHE X 115
GLY X 138
PHE X  11
PHE X 166
 None
 1.10A 3ko0R-2uydX:
0.6
3ko0T-2uydX:
0.8		 3ko0R-2uydX:
16.13
3ko0T-2uydX:
16.13
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.
2vws YFAU, 2-KETO-3-DEOXY
SUGAR ALDOLASE

(Escherichia
coli) 		PF03328
(HpcH_HpaI) 		4 PHE A   9
GLY A  90
PHE A 174
PHE A 233
 None
 1.13A 3ko0R-2vwsA:
undetectable
3ko0T-2vwsA:
undetectable		 3ko0R-2vwsA:
15.67
3ko0T-2vwsA:
15.67
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.
2wq4 LECTIN

(Burkholderia
cenocepacia) 		no annotation 4 PHE A  59
GLY A  23
MET A 115
PHE A  73
 None
 0.96A 3ko0R-2wq4A:
undetectable
3ko0T-2wq4A:
undetectable		 3ko0R-2wq4A:
20.89
3ko0T-2wq4A:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xhs NUCLEAR HORMONE
RECEPTOR FTZ-F1

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		4 GLY A 783
MET A 936
CYH A 935
PHE A 938
 None
 1.13A 3ko0R-2xhsA:
0.5
3ko0T-2xhsA:
undetectable		 3ko0R-2xhsA:
16.60
3ko0T-2xhsA:
16.60
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.
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
 1.07A 3ko0R-3abzA:
undetectable
3ko0T-3abzA:
undetectable		 3ko0R-3abzA:
9.16
3ko0T-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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		4 PHE A 103
GLY A 271
PHE A 228
PHE A 169
 None
K  A 703 (-4.8A)
None
None
 1.04A 3ko0R-3bolA:
undetectable
3ko0T-3bolA:
undetectable		 3ko0R-3bolA:
11.31
3ko0T-3bolA:
11.31
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.
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
 0.93A 3ko0R-3ceaA:
undetectable
3ko0T-3ceaA:
undetectable		 3ko0R-3ceaA:
15.03
3ko0T-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
 1.06A 3ko0R-3dmcA:
undetectable
3ko0T-3dmcA:
undetectable		 3ko0R-3dmcA:
23.19
3ko0T-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.
3hbz PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13201
(PCMD) 		4 PHE A 167
GLY A 345
CYH A 177
PHE A 133
 None
 1.11A 3ko0R-3hbzA:
undetectable
3ko0T-3hbzA:
undetectable		 3ko0R-3hbzA:
14.96
3ko0T-3hbzA:
14.96
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		4 PHE A 450
PHE A 410
GLY A 371
PHE A 437
 None
 1.11A 3ko0R-3lvvA:
undetectable
3ko0T-3lvvA:
undetectable		 3ko0R-3lvvA:
10.31
3ko0T-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.
3lws AROMATIC AMINO ACID
BETA-ELIMINATING
LYASE/THREONINE
ALDOLASE

(Exiguobacterium
sibiricum) 		PF01212
(Beta_elim_lyase) 		4 PHE A 289
GLY A 206
PHE A 315
PHE A 271
 None
LLP  A 205 ( 2.4A)
None
None
 1.04A 3ko0R-3lwsA:
undetectable
3ko0T-3lwsA:
undetectable		 3ko0R-3lwsA:
15.81
3ko0T-3lwsA:
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.
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
 1.04A 3ko0R-3lxzA:
undetectable
3ko0T-3lxzA:
undetectable		 3ko0R-3lxzA:
19.65
3ko0T-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.
3mbf FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Encephalitozoon
cuniculi) 		PF00274
(Glycolytic) 		4 PHE A 261
PHE A 293
GLY A 258
PHE A 274
 None
 1.12A 3ko0R-3mbfA:
undetectable
3ko0T-3mbfA:
undetectable		 3ko0R-3mbfA:
16.02
3ko0T-3mbfA:
16.02
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.
3nwr A RUBISCO-LIKE
PROTEIN

(Paraburkholderia
fungorum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 PHE A 378
PHE A 355
GLY A 381
PHE A 368
 None
None
SO4  A 433 (-3.5A)
None
 1.13A 3ko0R-3nwrA:
undetectable
3ko0T-3nwrA:
undetectable		 3ko0R-3nwrA:
14.39
3ko0T-3nwrA:
14.39
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.
3oaj PUTATIVE
RING-CLEAVING
DIOXYGENASE MHQO

(Bacillus
subtilis) 		PF00903
(Glyoxalase) 		4 PHE A  51
PHE A  64
GLY A 284
PHE A  25
 None
 1.12A 3ko0R-3oajA:
undetectable
3ko0T-3oajA:
undetectable		 3ko0R-3oajA:
15.87
3ko0T-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
 0.98A 3ko0R-3oixA:
undetectable
3ko0T-3oixA:
undetectable		 3ko0R-3oixA:
12.75
3ko0T-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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		4 PHE A  41
GLY A  49
CYH A 356
PHE A 357
 None
None
S2H  A 505 ( 2.1A)
None
 1.11A 3ko0R-3t2yA:
undetectable
3ko0T-3t2yA:
undetectable		 3ko0R-3t2yA:
12.71
3ko0T-3t2yA:
12.71
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.
3t5v NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		4 PHE B  16
CYH B  65
PHE B  68
PHE B  90
 None
 0.92A 3ko0R-3t5vB:
undetectable
3ko0T-3t5vB:
undetectable		 3ko0R-3t5vB:
13.08
3ko0T-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.
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
 0.97A 3ko0R-3ujhA:
2.1
3ko0T-3ujhA:
2.1		 3ko0R-3ujhA:
9.95
3ko0T-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
 1.14A 3ko0R-3va7A:
undetectable
3ko0T-3va7A:
undetectable		 3ko0R-3va7A:
5.82
3ko0T-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
 0.96A 3ko0R-3vgjA:
undetectable
3ko0T-3vgjA:
undetectable		 3ko0R-3vgjA:
15.55
3ko0T-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
 0.62A 3ko0R-3wflA:
undetectable
3ko0T-3wflA:
undetectable		 3ko0R-3wflA:
13.24
3ko0T-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
 0.60A 3ko0R-3zizA:
undetectable
3ko0T-3zizA:
undetectable		 3ko0R-3zizA:
11.52
3ko0T-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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		4 PHE A 240
PHE A 226
GLY A 256
PHE A 237
 None
 1.08A 3ko0R-3zizA:
undetectable
3ko0T-3zizA:
undetectable		 3ko0R-3zizA:
11.52
3ko0T-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
 1.12A 3ko0R-3zy3A:
undetectable
3ko0T-3zy3A:
undetectable		 3ko0R-3zy3A:
16.10
3ko0T-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.
4b5x 4-HYDROXY-2-OXO-HEPT
ANE-1,7-DIOATE
ALDOLASE

(Escherichia
coli) 		PF03328
(HpcH_HpaI) 		4 PHE A   5
GLY A  86
PHE A 170
PHE A 229
 None
 1.12A 3ko0R-4b5xA:
undetectable
3ko0T-4b5xA:
undetectable		 3ko0R-4b5xA:
15.27
3ko0T-4b5xA:
15.27
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.
4dw1 P2X PURINOCEPTOR

(Danio rerio) 		PF00864
(P2X_receptor) 		4 PHE A 322
PHE A 102
GLY A 253
PHE A 233
 None
 0.98A 3ko0R-4dw1A:
undetectable
3ko0T-4dw1A:
undetectable		 3ko0R-4dw1A:
13.78
3ko0T-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
 0.98A 3ko0R-4fchA:
undetectable
3ko0T-4fchA:
undetectable		 3ko0R-4fchA:
15.07
3ko0T-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)
 1.02A 3ko0R-4fe9A:
undetectable
3ko0T-4fe9A:
undetectable		 3ko0R-4fe9A:
11.54
3ko0T-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
 0.96A 3ko0R-4femA:
undetectable
3ko0T-4femA:
undetectable		 3ko0R-4femA:
15.73
3ko0T-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
 1.06A 3ko0R-4ga7A:
undetectable
3ko0T-4ga7A:
undetectable		 3ko0R-4ga7A:
14.47
3ko0T-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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		4 PHE A 404
GLY A 178
CYH A 374
PHE A 294
 None
 1.09A 3ko0R-4issA:
undetectable
3ko0T-4issA:
undetectable		 3ko0R-4issA:
9.94
3ko0T-4issA:
9.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.00A 3ko0R-4jn6A:
undetectable
3ko0T-4jn6A:
undetectable		 3ko0R-4jn6A:
14.93
3ko0T-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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 PHE A 422
PHE A 333
GLY A 501
PHE A 424
 None
 1.08A 3ko0R-4kxbA:
undetectable
3ko0T-4kxbA:
undetectable		 3ko0R-4kxbA:
7.75
3ko0T-4kxbA:
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.
4lvk PLASMID
RECOMBINATION ENZYME

(Streptococcus
agalactiae) 		PF01076
(Mob_Pre) 		4 PHE A 104
GLY A 137
MET A   4
PHE A  92
 None
 1.12A 3ko0R-4lvkA:
undetectable
3ko0T-4lvkA:
undetectable		 3ko0R-4lvkA:
17.80
3ko0T-4lvkA:
17.80
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.
4mup AMIDOHYDROLASE

(Agrobacterium
fabrum) 		PF04909
(Amidohydro_2) 		4 PHE A 202
GLY A 198
MET A 188
PHE A 177
 None
 1.13A 3ko0R-4mupA:
undetectable
3ko0T-4mupA:
undetectable		 3ko0R-4mupA:
14.15
3ko0T-4mupA:
14.15
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.
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)
 0.99A 3ko0R-4n54A:
undetectable
3ko0T-4n54A:
undetectable		 3ko0R-4n54A:
13.88
3ko0T-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.
4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI

(Bacillus
subtilis) 		PF00378
(ECH_1) 		4 GLY A 163
MET A 140
PHE A 144
PHE A 115
 EDO  A 303 ( 4.4A)
None
None
None
 1.13A 3ko0R-4q1jA:
undetectable
3ko0T-4q1jA:
undetectable		 3ko0R-4q1jA:
17.42
3ko0T-4q1jA:
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.
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
 1.11A 3ko0R-4rcmA:
undetectable
3ko0T-4rcmA:
undetectable		 3ko0R-4rcmA:
22.02
3ko0T-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.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		4 GLY A 409
MET A 420
PHE A 425
PHE A 151
 None
 1.04A 3ko0R-4rp8A:
undetectable
3ko0T-4rp8A:
undetectable		 3ko0R-4rp8A:
11.02
3ko0T-4rp8A:
11.02
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
 1.11A 3ko0R-4u8hA:
undetectable
3ko0T-4u8hA:
undetectable		 3ko0R-4u8hA:
11.93
3ko0T-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.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		4 PHE A 201
PHE A 138
GLY A  63
MET A 107
 None
 1.00A 3ko0R-4x5sA:
undetectable
3ko0T-4x5sA:
undetectable		 3ko0R-4x5sA:
19.90
3ko0T-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
 0.99A 3ko0R-4xdqA:
undetectable
3ko0T-4xdqA:
undetectable		 3ko0R-4xdqA:
14.87
3ko0T-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
 0.84A 3ko0R-5cvzA:
undetectable
3ko0T-5cvzA:
undetectable		 3ko0R-5cvzA:
16.77
3ko0T-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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		4 PHE A1312
GLY A1230
PHE A1360
PHE A1371
 None
 1.09A 3ko0R-5d0fA:
undetectable
3ko0T-5d0fA:
undetectable		 3ko0R-5d0fA:
5.62
3ko0T-5d0fA:
5.62
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.
5ei0 SERPIN A12

(Homo sapiens) 		PF00079
(Serpin) 		4 PHE A 102
PHE A 104
GLY A 327
PHE A 116
 None
 0.92A 3ko0R-5ei0A:
undetectable
3ko0T-5ei0A:
undetectable		 3ko0R-5ei0A:
13.45
3ko0T-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.
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
 1.08A 3ko0R-5f2oA:
undetectable
3ko0T-5f2oA:
undetectable		 3ko0R-5f2oA:
13.62
3ko0T-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.
5f5v PRP38

(Chaetomium
thermophilum) 		PF03371
(PRP38) 		4 PHE A 122
GLY A 151
CYH A  87
PHE A  90
 None
 0.92A 3ko0R-5f5vA:
undetectable
3ko0T-5f5vA:
undetectable		 3ko0R-5f5vA:
19.03
3ko0T-5f5vA:
19.03
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.
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 3ko0R-5hdmA:
undetectable
3ko0T-5hdmA:
undetectable		 3ko0R-5hdmA:
15.70
3ko0T-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.
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
 1.13A 3ko0R-5i8iA:
undetectable
3ko0T-5i8iA:
undetectable		 3ko0R-5i8iA:
4.13
3ko0T-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.
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 PHE A 404
GLY A 178
CYH A 374
PHE A 294
 None
 1.09A 3ko0R-5i8iA:
undetectable
3ko0T-5i8iA:
undetectable		 3ko0R-5i8iA:
4.13
3ko0T-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.
5ica PERIODIC TRYPTOPHAN
PROTEIN 2-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF04003
(Utp12) 		4 PHE D 765
GLY D 802
PHE D 776
PHE D 738
 None
 1.09A 3ko0R-5icaD:
undetectable
3ko0T-5icaD:
undetectable		 3ko0R-5icaD:
21.85
3ko0T-5icaD:
21.85
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.
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
 1.11A 3ko0R-5ihrA:
undetectable
3ko0T-5ihrA:
undetectable		 3ko0R-5ihrA:
6.99
3ko0T-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
 1.06A 3ko0R-5ihrA:
undetectable
3ko0T-5ihrA:
undetectable		 3ko0R-5ihrA:
6.99
3ko0T-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.
5jqk PEPTIDASE, PUTATIVE

(Plasmodium
falciparum) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 PHE A 248
PHE A 239
GLY A 182
PHE A 289
 None
 1.13A 3ko0R-5jqkA:
undetectable
3ko0T-5jqkA:
undetectable		 3ko0R-5jqkA:
11.43
3ko0T-5jqkA:
11.43
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.
5keg DNA DC->DU-EDITING
ENZYME APOBEC-3A

(Homo sapiens) 		PF08210
(APOBEC_N) 		4 PHE A 158
PHE A  18
GLY A 178
PHE A  95
 None
 0.83A 3ko0R-5kegA:
undetectable
3ko0T-5kegA:
undetectable		 3ko0R-5kegA:
19.10
3ko0T-5kegA:
19.10
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.
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
 0.97A 3ko0R-5mzhA:
undetectable
3ko0T-5mzhA:
undetectable		 3ko0R-5mzhA:
12.61
3ko0T-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
 1.12A 3ko0R-5nbsA:
undetectable
3ko0T-5nbsA:
undetectable		 3ko0R-5nbsA:
18.81
3ko0T-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
 1.06A 3ko0R-5olsA:
undetectable
3ko0T-5olsA:
undetectable		 3ko0R-5olsA:
11.55
3ko0T-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
 1.30A 3ko0R-5swiB:
undetectable
3ko0T-5swiB:
undetectable		 3ko0R-5swiB:
10.84
3ko0T-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
 1.11A 3ko0R-5swiB:
undetectable
3ko0T-5swiB:
undetectable		 3ko0R-5swiB:
10.84
3ko0T-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
 1.02A 3ko0R-5swiB:
undetectable
3ko0T-5swiB:
undetectable		 3ko0R-5swiB:
10.84
3ko0T-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.
5sxg DNA DC->DU-EDITING
ENZYME APOBEC-3B

(Homo sapiens) 		no annotation 4 PHE A 341
PHE A 198
GLY A 361
PHE A 278
 None
None
None
IMD  A 403 ( 4.7A)
 0.87A 3ko0R-5sxgA:
undetectable
3ko0T-5sxgA:
undetectable		 3ko0R-5sxgA:
20.79
3ko0T-5sxgA:
20.79
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.
5t88 PROLYL ENDOPEPTIDASE

(Pyrococcus
furiosus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 PHE A 399
PHE A 426
GLY A 500
PHE A 342
 None
 1.11A 3ko0R-5t88A:
undetectable
3ko0T-5t88A:
undetectable		 3ko0R-5t88A:
11.29
3ko0T-5t88A:
11.29
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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 4 PHE A 274
GLY A 193
CYH A 243
PHE A 264
 None
 1.04A 3ko0R-5ta1A:
undetectable
3ko0T-5ta1A:
undetectable		 3ko0R-5ta1A:
9.09
3ko0T-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.
5x2q TASTE RECEPTOR, TYPE
1, MEMBER 2A

(Oryzias latipes) 		PF01094
(ANF_receptor) 		4 PHE A 420
GLY A 135
PHE A 367
PHE A 428
 None
 1.12A 3ko0R-5x2qA:
undetectable
3ko0T-5x2qA:
undetectable		 3ko0R-5x2qA:
12.11
3ko0T-5x2qA:
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.
5x59 S PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind) 		4 PHE A1126
GLY A1011
PHE A 869
PHE A 972
 None
 1.04A 3ko0R-5x59A:
undetectable
3ko0T-5x59A:
undetectable		 3ko0R-5x59A:
6.21
3ko0T-5x59A:
6.21
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.
5xw6 P2X PURINOCEPTOR

(Gallus gallus) 		no annotation 4 PHE C 304
PHE C  90
GLY C 237
PHE C 217
 None
 0.96A 3ko0R-5xw6C:
undetectable
3ko0T-5xw6C:
undetectable		 3ko0R-5xw6C:
13.15
3ko0T-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.
6b0k IOTA-CARRAGEENAN
SULFATASE

(Pseudoalteromonas) 		no annotation 4 PHE A 115
PHE A 148
GLY A 108
PHE A 224
 None
 1.02A 3ko0R-6b0kA:
undetectable
3ko0T-6b0kA:
undetectable		 3ko0R-6b0kA:
19.61
3ko0T-6b0kA:
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.
6c5x SUPPRESSOR OF
CYTOKINE SIGNALLING
1

(Xenopus laevis) 		no annotation 4 PHE D  79
GLY D  99
PHE D 209
PHE D 207
 None
 0.91A 3ko0R-6c5xD:
undetectable
3ko0T-6c5xD:
undetectable		 3ko0R-6c5xD:
21.78
3ko0T-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
 0.76A 3ko0R-6fj4A:
undetectable
3ko0T-6fj4A:
undetectable		 3ko0R-6fj4A:
17.27
3ko0T-6fj4A:
17.27