SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_M_TFPM201_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.
1buc BUTYRYL-COA
DEHYDROGENASE

(Megasphaera
elsdenii) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A 193
CYH A  97
PHE A 126
GLY A 165
 None
None
CAA  A 384 ( 4.7A)
None
 0.97A 3ko0M-1bucA:
1.5
3ko0P-1bucA:
1.5		 3ko0M-1bucA:
14.96
3ko0P-1bucA:
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.
1f89 32.5 KDA PROTEIN
YLR351C

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		4 GLY A 151
CYH A  54
PHE A  55
GLY A 167
 None
 0.94A 3ko0M-1f89A:
undetectable
3ko0P-1f89A:
undetectable		 3ko0M-1f89A:
18.02
3ko0P-1f89A:
18.02
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.
1gpm GMP SYNTHETASE

(Escherichia
coli) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 GLY A 312
CYH A 421
GLY A 405
PHE A 403
 None
None
AMP  A 527 ( 3.7A)
None
 0.93A 3ko0M-1gpmA:
undetectable
3ko0P-1gpmA:
undetectable		 3ko0M-1gpmA:
11.11
3ko0P-1gpmA:
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.
1hyg L-LACTATE/MALATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 GLY A 270
CYH A 242
GLY A 145
PHE A 119
 None
 0.95A 3ko0M-1hygA:
0.0
3ko0P-1hygA:
undetectable		 3ko0M-1hygA:
15.41
3ko0P-1hygA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 GLY A 668
CYH A 604
PHE A 606
GLY A 612
 None
HEC  A 802 (-1.8A)
None
None
 0.97A 3ko0M-1kb0A:
undetectable
3ko0P-1kb0A:
undetectable		 3ko0M-1kb0A:
9.17
3ko0P-1kb0A:
9.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ld9 MHC CLASS I H-2LD
HEAVY CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 GLY A 237
PHE A 241
GLY A 207
PHE A 208
 None
 0.87A 3ko0M-1ld9A:
0.0
3ko0P-1ld9A:
undetectable		 3ko0M-1ld9A:
15.15
3ko0P-1ld9A:
15.15
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.
1o91 COLLAGEN ALPHA
1(VIII) CHAIN

(Mus musculus) 		PF00386
(C1q) 		4 GLY A 641
PHE A 652
GLY A 737
PHE A 662
 None
 0.88A 3ko0M-1o91A:
undetectable
3ko0P-1o91A:
undetectable		 3ko0M-1o91A:
19.44
3ko0P-1o91A:
19.44
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.
1pzd COATOMER GAMMA
SUBUNIT

(Bos taurus) 		PF08752
(COP-gamma_platf)
PF16381
(Coatomer_g_Cpla) 		4 GLY A 832
PHE A 655
PHE A 630
GLY A 837
 None
 0.99A 3ko0M-1pzdA:
undetectable
3ko0P-1pzdA:
undetectable		 3ko0M-1pzdA:
18.82
3ko0P-1pzdA:
18.82
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.
1qnr ENDO-1,4-B-D-MANNANA
SE

(Trichoderma
reesei) 		PF00150
(Cellulase) 		4 GLY A 254
PHE A 237
PHE A 240
PHE A 226
 None
 0.73A 3ko0M-1qnrA:
undetectable
3ko0P-1qnrA:
undetectable		 3ko0M-1qnrA:
13.95
3ko0P-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.
1rkr AZURIN-I

(Achromobacter
xylosoxidans) 		PF00127
(Copper-bind) 		4 GLY A  89
PHE A 111
GLY A   9
PHE A  15
 None
 1.00A 3ko0M-1rkrA:
undetectable
3ko0P-1rkrA:
undetectable		 3ko0M-1rkrA:
22.79
3ko0P-1rkrA:
22.79
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 GLY A 389
MET A 627
CYH A 513
PHE A 660
 None
 0.98A 3ko0M-1rw9A:
0.6
3ko0P-1rw9A:
undetectable		 3ko0M-1rw9A:
8.45
3ko0P-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.
1tyj CELLULOSOMAL
SCAFFOLDIN

(Pseudobacteroides
cellulosolvens) 		PF00963
(Cohesin) 		4 GLY A  33
PHE A  36
GLY A  90
PHE A  89
 None
 1.00A 3ko0M-1tyjA:
undetectable
3ko0P-1tyjA:
undetectable		 3ko0M-1tyjA:
21.18
3ko0P-1tyjA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1un1 XYLOGLUCAN
ENDOTRANSGLYCOSYLASE

(Populus tremula) 		PF00722
(Glyco_hydro_16)
PF06955
(XET_C) 		4 GLY A  29
PHE A  74
PHE A 202
GLY A  12
 None
 0.88A 3ko0M-1un1A:
undetectable
3ko0P-1un1A:
undetectable		 3ko0M-1un1A:
17.96
3ko0P-1un1A:
17.96
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		4 GLY C 266
PHE C  10
PHE C  12
PHE C 120
 None
 0.97A 3ko0M-1usyC:
0.0
3ko0P-1usyC:
undetectable		 3ko0M-1usyC:
16.79
3ko0P-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 GLY A 122
CYH A  67
PHE A  97
PHE A 107
 None
 0.89A 3ko0M-1v5sA:
undetectable
3ko0P-1v5sA:
undetectable		 3ko0M-1v5sA:
23.26
3ko0P-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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		4 GLY A 218
PHE A  53
GLY A 263
PHE A 264
 None
 0.71A 3ko0M-1wacA:
0.5
3ko0P-1wacA:
0.5		 3ko0M-1wacA:
9.91
3ko0P-1wacA:
9.91
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.
1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 GLY A 456
PHE A 667
PHE A 460
GLY A 483
 None
 0.81A 3ko0M-1xfdA:
undetectable
3ko0P-1xfdA:
undetectable		 3ko0M-1xfdA:
8.70
3ko0P-1xfdA:
8.70
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.
1yxm PEROXISOMAL TRANS
2-ENOYL COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		4 GLY A 110
MET A 138
CYH A 139
GLY A  25
 None
 0.95A 3ko0M-1yxmA:
undetectable
3ko0P-1yxmA:
undetectable		 3ko0M-1yxmA:
16.10
3ko0P-1yxmA:
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.
1zem XYLITOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		4 GLY A 158
MET A 195
PHE A  98
GLY A  96
 None
NAD  A2263 ( 4.1A)
None
None
 0.97A 3ko0M-1zemA:
undetectable
3ko0P-1zemA:
undetectable		 3ko0M-1zemA:
13.74
3ko0P-1zemA:
13.74
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.
2bbv PROTEIN (BLACK
BEETLE VIRUS CAPSID
PROTEIN)

(Black beetle
virus) 		PF01829
(Peptidase_A6) 		4 CYH A  69
PHE A  71
GLY A 174
PHE A 240
 None
 0.75A 3ko0M-2bbvA:
undetectable
3ko0P-2bbvA:
undetectable		 3ko0M-2bbvA:
12.11
3ko0P-2bbvA:
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.
2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE

(Escherichia
coli) 		PF02734
(Dak2) 		4 GLY A 113
CYH A  15
PHE A  88
GLY A  85
 None
 0.92A 3ko0M-2btdA:
0.0
3ko0P-2btdA:
undetectable		 3ko0M-2btdA:
19.43
3ko0P-2btdA:
19.43
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 GLY A 183
CYH A 251
PHE A 266
GLY A 268
 5GP  A1340 ( 3.2A)
None
None
5GP  A1340 (-3.3A)
 0.89A 3ko0M-2bwgA:
undetectable
3ko0P-2bwgA:
undetectable		 3ko0M-2bwgA:
13.22
3ko0P-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.
2c9j GREEN FLUORESCENT
PROTEIN FP512

(Cerianthus
membranaceus) 		PF01353
(GFP) 		4 GLY A  27
PHE A  79
PHE A  65
GLY A  30
 None
None
CRQ  A  62 ( 3.7A)
None
 0.97A 3ko0M-2c9jA:
undetectable
3ko0P-2c9jA:
undetectable		 3ko0M-2c9jA:
20.90
3ko0P-2c9jA:
20.90
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.
2cqd RNA-BINDING REGION
CONTAINING PROTEIN 1

(Homo sapiens) 		PF00076
(RRM_1) 		4 GLY A  17
PHE A  14
GLY A  55
PHE A  56
 None
 0.84A 3ko0M-2cqdA:
undetectable
3ko0P-2cqdA:
undetectable		 3ko0M-2cqdA:
17.50
3ko0P-2cqdA:
17.50
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.
2d39 FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 GLY A 189
MET A 162
PHE A 168
GLY A 180
 None
 0.99A 3ko0M-2d39A:
undetectable
3ko0P-2d39A:
undetectable		 3ko0M-2d39A:
16.88
3ko0P-2d39A:
16.88
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 GLY A 154
CYH A 199
PHE A 196
GLY A 211
 None
 0.92A 3ko0M-2fpgA:
undetectable
3ko0P-2fpgA:
undetectable		 3ko0M-2fpgA:
15.13
3ko0P-2fpgA:
15.13
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.
2fqd BLUE COPPER OXIDASE
CUEO

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A  60
MET A 154
PHE A 190
GLY A 194
 None
 0.96A 3ko0M-2fqdA:
undetectable
3ko0P-2fqdA:
undetectable		 3ko0M-2fqdA:
12.11
3ko0P-2fqdA:
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.
2fqd BLUE COPPER OXIDASE
CUEO

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A  61
MET A 154
PHE A 190
GLY A 194
 None
 0.88A 3ko0M-2fqdA:
undetectable
3ko0P-2fqdA:
undetectable		 3ko0M-2fqdA:
12.11
3ko0P-2fqdA:
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.
2ghb MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		4 GLY A 242
PHE A 150
PHE A 220
GLY A 223
 None
 0.99A 3ko0M-2ghbA:
0.0
3ko0P-2ghbA:
undetectable		 3ko0M-2ghbA:
14.02
3ko0P-2ghbA:
14.02
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.
2iaa AZURIN

(Alcaligenes
faecalis) 		PF00127
(Copper-bind) 		4 GLY C  89
PHE C 111
GLY C   9
PHE C  15
 None
 0.97A 3ko0M-2iaaC:
undetectable
3ko0P-2iaaC:
undetectable		 3ko0M-2iaaC:
22.40
3ko0P-2iaaC:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jil GLUTAMATE RECEPTOR
INTERACTING
PROTEIN-1

(Homo sapiens) 		PF00595
(PDZ) 		4 GLY A 159
PHE A 162
GLY A 163
PHE A 164
 None
 0.99A 3ko0M-2jilA:
undetectable
3ko0P-2jilA:
undetectable		 3ko0M-2jilA:
19.23
3ko0P-2jilA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qt5 GLUTAMATE
RECEPTOR-INTERACTING
PROTEIN 1

(Rattus
norvegicus) 		PF00595
(PDZ) 		4 MET A 220
PHE A 162
GLY A 163
PHE A 164
 EDO  A   1 (-3.6A)
EDO  A   1 (-4.9A)
None
EDO  A   1 (-4.3A)
 0.87A 3ko0M-2qt5A:
undetectable
3ko0P-2qt5A:
undetectable		 3ko0M-2qt5A:
19.00
3ko0P-2qt5A:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r7m 5-FORMAMINOIMIDAZOLE
-4-CARBOXAMIDE-1-(BE
TA)-D-RIBOFURANOSYL
5'-MONOPHOSPHATE
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF06849
(DUF1246)
PF06973
(DUF1297) 		4 GLY A 325
CYH A 295
PHE A 294
GLY A 340
 None
 0.95A 3ko0M-2r7mA:
undetectable
3ko0P-2r7mA:
undetectable		 3ko0M-2r7mA:
15.26
3ko0P-2r7mA:
15.26
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.
2vy0 ENDO-BETA-1,3-GLUCAN
ASE

(Pyrococcus
furiosus) 		PF00722
(Glyco_hydro_16) 		4 GLY A 186
PHE A 216
PHE A 219
GLY A 220
 None
 0.92A 3ko0M-2vy0A:
undetectable
3ko0P-2vy0A:
undetectable		 3ko0M-2vy0A:
17.32
3ko0P-2vy0A:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w1v NITRILASE HOMOLOG 2

(Mus musculus) 		PF00795
(CN_hydrolase) 		4 GLY A 173
CYH A  82
PHE A  83
GLY A 189
 None
 1.00A 3ko0M-2w1vA:
undetectable
3ko0P-2w1vA:
undetectable		 3ko0M-2w1vA:
18.91
3ko0P-2w1vA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wnp FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 GLY F 160
MET F 133
PHE F 139
GLY F 151
 None
 0.98A 3ko0M-2wnpF:
undetectable
3ko0P-2wnpF:
undetectable		 3ko0M-2wnpF:
19.25
3ko0P-2wnpF:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xe5 OUTER MEMBRANE PORIN
C

(Escherichia
coli) 		PF00267
(Porin_1) 		4 GLY A  42
PHE A 128
PHE A  77
GLY A  79
 None
 0.98A 3ko0M-2xe5A:
undetectable
3ko0P-2xe5A:
undetectable		 3ko0M-2xe5A:
15.74
3ko0P-2xe5A:
15.74
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.
3cea MYO-INOSITOL
2-DEHYDROGENASE

(Lactobacillus
plantarum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 GLY A  16
MET A 185
PHE A 172
PHE A 169
 NAD  A 400 (-3.3A)
None
NAD  A 400 (-4.4A)
None
 0.89A 3ko0M-3ceaA:
undetectable
3ko0P-3ceaA:
undetectable		 3ko0M-3ceaA:
15.03
3ko0P-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.
3e4w PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF00199
(Catalase) 		4 GLY A  55
PHE A 168
GLY A 250
PHE A 223
 None
 0.99A 3ko0M-3e4wA:
undetectable
3ko0P-3e4wA:
undetectable		 3ko0M-3e4wA:
16.25
3ko0P-3e4wA:
16.25
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.
3e74 ALLANTOINASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		4 GLY A 378
CYH A 341
GLY A 361
PHE A 360
 None
 0.99A 3ko0M-3e74A:
undetectable
3ko0P-3e74A:
undetectable		 3ko0M-3e74A:
11.70
3ko0P-3e74A:
11.70
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.
3ebl GIBBERELLIN RECEPTOR
GID1

(Oryza sativa) 		PF07859
(Abhydrolase_3) 		4 GLY A 121
MET A 341
GLY A 327
PHE A 328
 GA4  A 401 ( 4.6A)
None
GA4  A 401 (-2.9A)
None
 0.87A 3ko0M-3eblA:
undetectable
3ko0P-3eblA:
0.4		 3ko0M-3eblA:
14.95
3ko0P-3eblA:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3foc TRYPTOPHANYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00579
(tRNA-synt_1b) 		4 PHE A 194
PHE A 181
GLY A 182
PHE A 183
 None
 0.91A 3ko0M-3focA:
0.0
3ko0P-3focA:
undetectable		 3ko0M-3focA:
12.28
3ko0P-3focA:
12.28
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.
3hri HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 GLY A 362
PHE A 359
GLY A 337
PHE A 323
 None
 0.89A 3ko0M-3hriA:
1.5
3ko0P-3hriA:
1.6		 3ko0M-3hriA:
13.23
3ko0P-3hriA:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hyv SULFIDE-QUINONE
REDUCTASE

(Aquifex
aeolicus) 		PF07992
(Pyr_redox_2) 		4 GLY A 309
CYH A 347
PHE A 359
GLY A 197
 None
PS9  A 800 (-3.5A)
None
None
 0.99A 3ko0M-3hyvA:
undetectable
3ko0P-3hyvA:
undetectable		 3ko0M-3hyvA:
15.16
3ko0P-3hyvA:
15.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i7j BETA-LACTAMASE
MB2281C

(Mycobacterium
bovis) 		PF00144
(Beta-lactamase) 		4 GLY A  81
PHE A 204
GLY A 103
PHE A 104
 None
 0.97A 3ko0M-3i7jA:
undetectable
3ko0P-3i7jA:
undetectable		 3ko0M-3i7jA:
15.71
3ko0P-3i7jA:
15.71
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.
3n2s NADPH-DEPENDENT
NITRO/FLAVIN
REDUCTASE

(Bacillus
subtilis) 		PF00881
(Nitroreductase) 		4 GLY A  50
PHE A  79
GLY A 160
PHE A 159
 None
None
None
FMN  A 400 ( 4.8A)
 0.88A 3ko0M-3n2sA:
0.0
3ko0P-3n2sA:
undetectable		 3ko0M-3n2sA:
16.67
3ko0P-3n2sA:
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.
3ova CCA-ADDING ENZYME

(Archaeoglobus
fulgidus) 		PF01909
(NTP_transf_2)
PF09249
(tRNA_NucTransf2) 		4 GLY A 162
CYH A 242
PHE A 245
GLY A 159
 None
 0.71A 3ko0M-3ovaA:
undetectable
3ko0P-3ovaA:
undetectable		 3ko0M-3ovaA:
12.87
3ko0P-3ovaA:
12.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r0z D-SERINE DEHYDRATASE

(Salmonella
enterica) 		PF00291
(PALP) 		4 GLY A 204
CYH A 231
PHE A 232
GLY A 181
 None
 0.74A 3ko0M-3r0zA:
undetectable
3ko0P-3r0zA:
undetectable		 3ko0M-3r0zA:
12.10
3ko0P-3r0zA:
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.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I

(Burkholderia
lata) 		PF00117
(GATase)
PF00425
(Chorismate_bind) 		4 GLY A 620
PHE A 610
GLY A 564
PHE A 565
 None
 0.77A 3ko0M-3r75A:
undetectable
3ko0P-3r75A:
undetectable		 3ko0M-3r75A:
9.91
3ko0P-3r75A:
9.91
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.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		4 GLY X 206
CYH X 233
PHE X 234
GLY X 183
 None
 0.85A 3ko0M-3ss7X:
undetectable
3ko0P-3ss7X:
undetectable		 3ko0M-3ss7X:
12.95
3ko0P-3ss7X:
12.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uai H/ACA
RIBONUCLEOPROTEIN
COMPLEX SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF04410
(Gar1) 		4 GLY C 106
CYH C  94
PHE C 109
GLY C  41
 None
 0.84A 3ko0M-3uaiC:
undetectable
3ko0P-3uaiC:
undetectable		 3ko0M-3uaiC:
18.42
3ko0P-3uaiC:
18.42
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.
3ujh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Toxoplasma
gondii) 		PF00342
(PGI) 		4 GLY A 157
CYH A 248
PHE A 247
PHE A 216
 G6Q  A 571 ( 3.3A)
None
None
None
 0.94A 3ko0M-3ujhA:
2.0
3ko0P-3ujhA:
2.2		 3ko0M-3ujhA:
9.95
3ko0P-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.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLY A 355
PHE A 340
PHE A 411
GLY A 409
 None
 0.92A 3ko0M-3vnsA:
undetectable
3ko0P-3vnsA:
undetectable		 3ko0M-3vnsA:
10.42
3ko0P-3vnsA:
10.42
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.
3wd8 TYPE III POLYKETIDE
SYNTHASE QUINOLONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 GLY A 374
CYH A 173
GLY A 339
PHE A 190
 None
 0.90A 3ko0M-3wd8A:
undetectable
3ko0P-3wd8A:
undetectable		 3ko0M-3wd8A:
14.36
3ko0P-3wd8A:
14.36
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.
3wfl BETA-MANNANASE

(Talaromyces
trachyspermus) 		PF00150
(Cellulase) 		4 GLY A 287
PHE A 270
PHE A 273
PHE A 259
 None
 0.72A 3ko0M-3wflA:
undetectable
3ko0P-3wflA:
undetectable		 3ko0M-3wflA:
13.24
3ko0P-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 GLY A 254
PHE A 237
PHE A 240
PHE A 226
 None
 0.74A 3ko0M-3zizA:
undetectable
3ko0P-3zizA:
undetectable		 3ko0M-3zizA:
11.52
3ko0P-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.
3zyp CIP1

(Trichoderma
reesei) 		no annotation 4 GLY A 188
PHE A 191
GLY A  58
PHE A  57
 PEG  A1223 (-3.6A)
None
PEG  A1223 (-4.5A)
None
 0.92A 3ko0M-3zypA:
undetectable
3ko0P-3zypA:
undetectable		 3ko0M-3zypA:
16.20
3ko0P-3zypA:
16.20
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.
4aw2 SERINE/THREONINE-PRO
TEIN KINASE MRCK
ALPHA

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 CYH A 121
PHE A 122
PHE A  88
GLY A  86
 None
None
EDO  A1419 ( 4.8A)
None
 0.91A 3ko0M-4aw2A:
1.3
3ko0P-4aw2A:
1.1		 3ko0M-4aw2A:
16.27
3ko0P-4aw2A:
16.27
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.
4buc UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Thermotoga
maritima) 		PF08245
(Mur_ligase_M) 		4 GLY A 355
PHE A 438
GLY A 378
PHE A 377
 None
 0.81A 3ko0M-4bucA:
undetectable
3ko0P-4bucA:
undetectable		 3ko0M-4bucA:
12.22
3ko0P-4bucA:
12.22
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.
4doe 1,4-BETA-GLUCANASE

(Caldicellulosiruptor
bescii) 		PF00759
(Glyco_hydro_9) 		4 GLY A 427
PHE A 387
PHE A 383
GLY A 424
 None
 0.97A 3ko0M-4doeA:
undetectable
3ko0P-4doeA:
undetectable		 3ko0M-4doeA:
10.38
3ko0P-4doeA:
10.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dw1 P2X PURINOCEPTOR

(Danio rerio) 		PF00864
(P2X_receptor) 		4 GLY A 253
PHE A 233
PHE A 322
PHE A 102
 None
 0.80A 3ko0M-4dw1A:
undetectable
3ko0P-4dw1A:
undetectable		 3ko0M-4dw1A:
13.78
3ko0P-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.
4fe9 OUTER MEMBRANE
PROTEIN SUSF

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE)
PF17142
(DUF5115) 		4 PHE A 310
PHE A 324
GLY A 335
PHE A 334
 None
 0.91A 3ko0M-4fe9A:
undetectable
3ko0P-4fe9A:
undetectable		 3ko0M-4fe9A:
11.54
3ko0P-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.
4fzw 1,2-EPOXYPHENYLACETY
L-COA ISOMERASE

(Escherichia
coli) 		PF00378
(ECH_1) 		4 GLY C  55
PHE C  87
PHE C  27
GLY C 114
 None
 0.83A 3ko0M-4fzwC:
undetectable
3ko0P-4fzwC:
undetectable		 3ko0M-4fzwC:
14.39
3ko0P-4fzwC:
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.
4gt6 CELL SURFACE PROTEIN

(Faecalibacterium
prausnitzii) 		PF13306
(LRR_5) 		4 GLY A  81
CYH A 139
PHE A 138
GLY A 132
 None
 0.98A 3ko0M-4gt6A:
undetectable
3ko0P-4gt6A:
undetectable		 3ko0M-4gt6A:
14.72
3ko0P-4gt6A:
14.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gz2 TYROSYL-DNA
PHOSPHODIESTERASE 2

(Mus musculus) 		PF03372
(Exo_endo_phos) 		4 CYH A 231
PHE A 230
GLY A 271
PHE A 159
 None
 0.96A 3ko0M-4gz2A:
undetectable
3ko0P-4gz2A:
undetectable		 3ko0M-4gz2A:
16.73
3ko0P-4gz2A:
16.73
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.
4mad BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF01301
(Glyco_hydro_35) 		4 GLY A  92
PHE A 104
GLY A 102
PHE A 101
 None
 0.97A 3ko0M-4madA:
undetectable
3ko0P-4madA:
undetectable		 3ko0M-4madA:
9.00
3ko0P-4madA:
9.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mad BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF01301
(Glyco_hydro_35) 		4 GLY A  92
PHE A 104
GLY A 103
PHE A 101
 None
 0.94A 3ko0M-4madA:
undetectable
3ko0P-4madA:
undetectable		 3ko0M-4madA:
9.00
3ko0P-4madA:
9.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n54 INOSITOL
DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 GLY A  14
MET A 183
PHE A 170
PHE A 167
 NAI  A 401 (-3.1A)
2H3  A 402 (-3.5A)
NAI  A 401 (-4.1A)
None
 0.88A 3ko0M-4n54A:
undetectable
3ko0P-4n54A:
undetectable		 3ko0M-4n54A:
13.88
3ko0P-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.
4qqr 3,5-EPIMERASE/4-REDU
CTASE

(Arabidopsis
thaliana) 		PF04321
(RmlD_sub_bind) 		4 GLY A 225
CYH A 115
PHE A 139
GLY A 130
 None
ZN  A 404 (-2.9A)
None
None
 0.96A 3ko0M-4qqrA:
undetectable
3ko0P-4qqrA:
undetectable		 3ko0M-4qqrA:
14.01
3ko0P-4qqrA:
14.01
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.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 GLY A 393
PHE A 606
PHE A 398
GLY A 421
 None
 0.97A 3ko0M-4wjlA:
undetectable
3ko0P-4wjlA:
undetectable		 3ko0M-4wjlA:
8.90
3ko0P-4wjlA:
8.90
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.
4wy5 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		4 GLY A  88
PHE A 306
GLY A 293
PHE A 294
 None
 0.94A 3ko0M-4wy5A:
undetectable
3ko0P-4wy5A:
undetectable		 3ko0M-4wy5A:
13.62
3ko0P-4wy5A:
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.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		4 GLY A  63
MET A 107
PHE A 201
PHE A 138
 None
 0.99A 3ko0M-4x5sA:
undetectable
3ko0P-4x5sA:
undetectable		 3ko0M-4x5sA:
19.90
3ko0P-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 GLY A 192
PHE A 147
PHE A 195
PHE A 206
 None
 0.85A 3ko0M-4xdqA:
undetectable
3ko0P-4xdqA:
undetectable		 3ko0M-4xdqA:
14.87
3ko0P-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.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 GLY A 184
CYH A 114
GLY A 158
PHE A 157
 None
 0.96A 3ko0M-4xr9A:
undetectable
3ko0P-4xr9A:
undetectable		 3ko0M-4xr9A:
12.99
3ko0P-4xr9A:
12.99
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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 GLY A 363
PHE A 360
GLY A 338
PHE A 324
 SO4  A 506 (-3.5A)
None
None
None
 0.86A 3ko0M-4yrpA:
1.5
3ko0P-4yrpA:
1.6		 3ko0M-4yrpA:
13.82
3ko0P-4yrpA:
13.82
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.
5abj VP2

(Enterovirus A) 		PF00073
(Rhv) 		4 GLY B 157
PHE B  82
GLY B 213
PHE B 212
 None
 0.95A 3ko0M-5abjB:
undetectable
3ko0P-5abjB:
undetectable		 3ko0M-5abjB:
18.68
3ko0P-5abjB:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aff RIBOSOMAL PROTEIN
L11

(Chaetomium
thermophilum) 		PF00281
(Ribosomal_L5)
PF00673
(Ribosomal_L5_C) 		4 GLY C 125
PHE C 128
GLY C 106
PHE C 105
 None
 0.91A 3ko0M-5affC:
undetectable
3ko0P-5affC:
undetectable		 3ko0M-5affC:
22.78
3ko0P-5affC:
22.78
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.
5b3h PROTEIN SHORT-ROOT

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		4 GLY B 359
CYH B 507
GLY B 238
PHE B 237
 None
 0.99A 3ko0M-5b3hB:
undetectable
3ko0P-5b3hB:
undetectable		 3ko0M-5b3hB:
13.06
3ko0P-5b3hB:
13.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		4 GLY A 126
CYH A 191
PHE A 192
GLY A 130
 None
 0.97A 3ko0M-5by6A:
undetectable
3ko0P-5by6A:
0.6		 3ko0M-5by6A:
15.28
3ko0P-5by6A:
15.28
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.
5c8w CGMP-DEPENDENT
PROTEIN KINASE 2

(Homo sapiens) 		PF00027
(cNMP_binding) 		4 GLY A 202
PHE A 206
GLY A 232
PHE A 231
 MLA  A 301 ( 4.0A)
None
PCG  A 302 (-3.6A)
None
 0.99A 3ko0M-5c8wA:
undetectable
3ko0P-5c8wA:
undetectable		 3ko0M-5c8wA:
21.57
3ko0P-5c8wA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f1c PUTATIVE
UNCHARACTERIZED
PROTEIN

(Amblyomma
maculatum) 		PF00864
(P2X_receptor) 		4 GLY A 270
PHE A 250
PHE A 333
PHE A 110
 None
 0.88A 3ko0M-5f1cA:
undetectable
3ko0P-5f1cA:
undetectable		 3ko0M-5f1cA:
12.78
3ko0P-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.
5h1z PUTATIVE CYP ALKANE
HYDROXYLASE
CYP153D17

(Sphingomonas
sp. PAMC 26605) 		PF00067
(p450) 		4 GLY A 358
MET A  90
PHE A 235
GLY A 245
 HEM  A 501 (-3.5A)
D12  A 502 (-4.3A)
None
D12  A 502 ( 3.5A)
 0.99A 3ko0M-5h1zA:
0.1
3ko0P-5h1zA:
undetectable		 3ko0M-5h1zA:
13.37
3ko0P-5h1zA:
13.37
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.
5h4e BETA 1-3 GLUCANASE

(Clostridium
beijerinckii) 		no annotation 4 GLY A 493
PHE A 567
PHE A 507
GLY A 505
 None
 0.89A 3ko0M-5h4eA:
undetectable
3ko0P-5h4eA:
undetectable		 3ko0M-5h4eA:
14.04
3ko0P-5h4eA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hdj NFRA1

(Bacillus
megaterium) 		PF00881
(Nitroreductase) 		4 GLY A  50
PHE A  79
GLY A 160
PHE A 159
 None
None
None
FMN  A 400 ( 4.6A)
 0.91A 3ko0M-5hdjA:
undetectable
3ko0P-5hdjA:
undetectable		 3ko0M-5hdjA:
17.13
3ko0P-5hdjA:
17.13
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.
5j1l TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		4 GLY A 191
PHE B 253
GLY B 208
PHE B 209
 None
 0.97A 3ko0M-5j1lA:
undetectable
3ko0P-5j1lA:
undetectable		 3ko0M-5j1lA:
20.19
3ko0P-5j1lA:
20.19
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.
5knn ALANINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF01411
(tRNA-synt_2c) 		4 GLY A 319
PHE A  97
PHE A  41
GLY A  79
 None
 0.78A 3ko0M-5knnA:
undetectable
3ko0P-5knnA:
undetectable		 3ko0M-5knnA:
13.11
3ko0P-5knnA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		4 GLY A 689
PHE A 694
GLY A 679
PHE A 678
 None
 0.92A 3ko0M-5l3dA:
undetectable
3ko0P-5l3dA:
undetectable		 3ko0M-5l3dA:
7.98
3ko0P-5l3dA:
7.98
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
6

(Bos taurus) 		PF00420
(Oxidored_q2)
PF00499
(Oxidored_q3) 		4 GLY J  53
PHE K  12
GLY J  40
PHE J  13
 None
 0.87A 3ko0M-5lc5J:
undetectable
3ko0P-5lc5J:
undetectable		 3ko0M-5lc5J:
18.54
3ko0P-5lc5J:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nri D-ALANINE--D-ALANINE
LIGASE

(Burkholderia
pseudomallei) 		no annotation 4 GLY A  92
PHE A 273
PHE A 250
GLY A 254
 None
 0.91A 3ko0M-5nriA:
undetectable
3ko0P-5nriA:
undetectable		 3ko0M-5nriA:
18.81
3ko0P-5nriA:
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.
5omc REPLICATION FACTOR A
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 4 GLY A  27
PHE A 119
PHE A  11
GLY A   9
 None
 0.88A 3ko0M-5omcA:
undetectable
3ko0P-5omcA:
undetectable		 3ko0M-5omcA:
16.67
3ko0P-5omcA:
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.
5t2x UNCHARACTERIZED
PROTEIN LPG1670

(Legionella
pneumophila) 		no annotation 5 GLY A 229
PHE A  76
PHE A 222
GLY A 223
PHE A  81
 None
 1.46A 3ko0M-5t2xA:
undetectable
3ko0P-5t2xA:
undetectable		 3ko0M-5t2xA:
15.36
3ko0P-5t2xA:
15.36
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.
5tkz MEC-8 PROTEIN

(Caenorhabditis
elegans) 		PF00076
(RRM_1) 		4 GLY A  37
PHE A  34
GLY A  76
PHE A  77
 None
 0.82A 3ko0M-5tkzA:
undetectable
3ko0P-5tkzA:
undetectable		 3ko0M-5tkzA:
26.09
3ko0P-5tkzA:
26.09
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 GLY A 249
PHE A 229
PHE A 317
PHE A 102
 None
 0.79A 3ko0M-5u1wA:
undetectable
3ko0P-5u1wA:
undetectable		 3ko0M-5u1wA:
12.43
3ko0P-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.
5u70 POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a)
PF07885
(Ion_trans_2) 		4 GLY A 978
MET A 961
GLY A 576
PHE A 602
 None
 0.98A 3ko0M-5u70A:
undetectable
3ko0P-5u70A:
undetectable		 3ko0M-5u70A:
7.82
3ko0P-5u70A:
7.82
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.
5w1e PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		no annotation 4 GLY A 313
PHE A 518
GLY A  82
PHE A 367
 None
 0.98A 3ko0M-5w1eA:
undetectable
3ko0P-5w1eA:
undetectable		 3ko0M-5w1eA:
21.10
3ko0P-5w1eA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xw6 P2X PURINOCEPTOR

(Gallus gallus) 		no annotation 4 GLY C 237
PHE C 217
PHE C 304
PHE C  90
 None
 0.84A 3ko0M-5xw6C:
undetectable
3ko0P-5xw6C:
undetectable		 3ko0M-5xw6C:
13.15
3ko0P-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.
5ys3 SUCCINATE-ACETATE
PERMEASE

(Citrobacter
koseri) 		no annotation 4 GLY A  13
PHE A 114
GLY A  65
PHE A  64
 None
None
ACT  A 204 (-3.6A)
ACT  A 204 (-4.8A)
 0.76A 3ko0M-5ys3A:
undetectable
3ko0P-5ys3A:
undetectable		 3ko0M-5ys3A:
15.09
3ko0P-5ys3A:
15.09
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.
6a8m -

(-) 		no annotation 4 GLY A 366
PHE A 361
GLY A 400
PHE A 401
 None
 0.96A 3ko0M-6a8mA:
undetectable
3ko0P-6a8mA:
undetectable		 3ko0M-6a8mA:
undetectable
3ko0P-6a8mA:
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.
6b0t FASCIN

(Homo sapiens) 		no annotation 4 GLY A 472
CYH A 456
PHE A 455
GLY A 390
 None
 0.91A 3ko0M-6b0tA:
undetectable
3ko0P-6b0tA:
undetectable		 3ko0M-6b0tA:
24.53
3ko0P-6b0tA:
24.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cet GATOR COMPLEX
PROTEIN DEPDC5

(Homo sapiens) 		no annotation 4 GLY D1090
CYH D1370
GLY D1254
PHE D1255
 None
 0.95A 3ko0M-6cetD:
undetectable
3ko0P-6cetD:
undetectable		 3ko0M-6cetD:
19.61
3ko0P-6cetD:
19.61