SIMILAR PATTERNS OF AMINO ACIDS FOR 5O96_D_SAMD501

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.
1ei6 PHOSPHONOACETATE
HYDROLASE

(Pseudomonas
fluorescens) 		PF01663
(Phosphodiest) 		5 ILE A 336
GLY A 337
VAL A 319
LEU A 320
ALA A 325
 None
 0.66A 5o96C-1ei6A:
undetectable
5o96D-1ei6A:
undetectable		 5o96C-1ei6A:
23.59
5o96D-1ei6A:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jsc ACETOHYDROXY-ACID
SYNTHASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 352
GLY A 337
VAL A 331
LEU A 349
ALA A 360
 None
 1.01A 5o96C-1jscA:
2.1
5o96D-1jscA:
2.7		 5o96C-1jscA:
16.29
5o96D-1jscA:
16.29
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.
1kyh HYPOTHETICAL 29.9
KDA PROTEIN IN
SIGY-CYDD INTERGENIC
REGION

(Bacillus
subtilis) 		PF01256
(Carb_kinase) 		5 LEU A  32
ILE A  60
GLY A  61
GLY A  83
ALA A  43
 None
 1.06A 5o96C-1kyhA:
3.5
5o96D-1kyhA:
3.3		 5o96C-1kyhA:
23.37
5o96D-1kyhA:
23.37
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.
1n7j PHENYLETHANOLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 ILE A  78
GLY A  79
GLY A  81
VAL A 154
LEU A 155
 None
SAH  A2002 (-4.0A)
SAH  A2002 (-3.0A)
None
None
 1.05A 5o96C-1n7jA:
undetectable
5o96D-1n7jA:
undetectable		 5o96C-1n7jA:
21.77
5o96D-1n7jA:
21.77
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.
1ns5 HYPOTHETICAL PROTEIN
YBEA

(Escherichia
coli) 		PF02590
(SPOUT_MTase) 		5 LEU A  72
ILE A 102
GLY A 103
GLY A 107
LEU A 127
 None
 0.59A 5o96C-1ns5A:
9.0
5o96D-1ns5A:
9.9		 5o96C-1ns5A:
22.05
5o96D-1ns5A:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		6 ILE A 194
GLY A 195
GLU A 197
GLY A 199
LEU A 223
ALA A 228
 None
 0.71A 5o96C-1nxzA:
29.9
5o96D-1nxzA:
22.5		 5o96C-1nxzA:
49.59
5o96D-1nxzA:
49.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		6 ILE A 194
GLY A 195
GLU A 197
VAL A 222
LEU A 223
ALA A 228
 None
 0.68A 5o96C-1nxzA:
29.9
5o96D-1nxzA:
22.5		 5o96C-1nxzA:
49.59
5o96D-1nxzA:
49.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		6 LEU A 171
GLY A 195
GLU A 197
GLY A 199
LEU A 223
ALA A 228
 None
 0.85A 5o96C-1nxzA:
29.9
5o96D-1nxzA:
22.5		 5o96C-1nxzA:
49.59
5o96D-1nxzA:
49.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		6 LEU A 171
GLY A 195
GLU A 197
VAL A 222
LEU A 223
ALA A 228
 None
 0.73A 5o96C-1nxzA:
29.9
5o96D-1nxzA:
22.5		 5o96C-1nxzA:
49.59
5o96D-1nxzA:
49.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oht CG14704 PROTEIN

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		5 LEU A 113
HIS A  42
ILE A  82
GLY A  81
ALA A 130
 None
ZN  A1185 (-3.2A)
None
None
None
 0.97A 5o96C-1ohtA:
undetectable
5o96D-1ohtA:
undetectable		 5o96C-1ohtA:
22.83
5o96D-1ohtA:
22.83
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.
1oyw ATP-DEPENDENT DNA
HELICASE

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		5 ARG A 101
ILE A 116
GLY A 110
GLU A 106
ALA A  93
 None
 0.92A 5o96C-1oywA:
undetectable
5o96D-1oywA:
undetectable		 5o96C-1oywA:
20.31
5o96D-1oywA:
20.31
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.
1p9p TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF01746
(tRNA_m1G_MT) 		5 LEU A  87
GLY A 113
GLY A 117
VAL A 137
LEU A 138
 SAH  A 300 (-4.4A)
SAH  A 300 (-3.2A)
SAH  A 300 (-3.6A)
SAH  A 300 ( 4.0A)
SAH  A 300 (-4.1A)
 0.80A 5o96C-1p9pA:
7.5
5o96D-1p9pA:
8.2		 5o96C-1p9pA:
22.49
5o96D-1p9pA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pdr HUMAN DISCS LARGE
PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A 520
ILE A 489
GLY A 488
GLY A 486
ALA A 528
 None
 1.05A 5o96C-1pdrA:
undetectable
5o96D-1pdrA:
undetectable		 5o96C-1pdrA:
16.87
5o96D-1pdrA:
16.87
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 HIS B 510
ILE B 557
GLY B 553
GLY B 549
ALA B 487
 MCN  B4921 (-3.7A)
None
None
MCN  B4921 (-3.2A)
None
 0.98A 5o96C-1t3qB:
undetectable
5o96D-1t3qB:
undetectable		 5o96C-1t3qB:
15.45
5o96D-1t3qB:
15.45
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.
1ufr PYR MRNA-BINDING
ATTENUATION PROTEIN

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		5 LEU A 101
ILE A  39
GLY A  38
GLY A  65
ALA A 115
 None
 1.08A 5o96C-1ufrA:
undetectable
5o96D-1ufrA:
undetectable		 5o96C-1ufrA:
21.26
5o96D-1ufrA:
21.26
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.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		5 LEU A 385
HIS A 384
ILE A 533
GLY A 534
ALA A 679
 None
 1.01A 5o96C-1urjA:
undetectable
5o96D-1urjA:
undetectable		 5o96C-1urjA:
12.35
5o96D-1urjA:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wy0 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00348
(polyprenyl_synt) 		5 ILE A 192
GLY A 193
GLY A  62
LEU A  55
ALA A  68
 None
 1.03A 5o96C-1wy0A:
undetectable
5o96D-1wy0A:
undetectable		 5o96C-1wy0A:
23.92
5o96D-1wy0A:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 ILE A  62
GLY A  63
GLY A  65
VAL A 138
LEU A 139
 None
SAH  A4001 (-3.9A)
SAH  A4001 (-3.0A)
None
None
 0.94A 5o96C-2a14A:
undetectable
5o96D-2a14A:
undetectable		 5o96C-2a14A:
21.74
5o96D-2a14A:
21.74
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.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 ILE A  40
GLY A  37
GLY A  72
VAL A  33
LEU A  34
 None
 1.04A 5o96C-2ahwA:
undetectable
5o96D-2ahwA:
undetectable		 5o96C-2ahwA:
18.75
5o96D-2ahwA:
18.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2egw UPF0088 PROTEIN
AQ_165

(Aquifex
aeolicus) 		PF04452
(Methyltrans_RNA) 		5 LEU A 161
GLY A 185
GLY A 189
LEU A 213
ALA A 218
 SAH  A 300 ( 3.7A)
SAH  A 300 ( 3.6A)
SAH  A 300 ( 3.6A)
SAH  A 300 ( 4.0A)
SAH  A 300 ( 3.6A)
 0.54A 5o96C-2egwA:
26.4
5o96D-2egwA:
26.2		 5o96C-2egwA:
31.23
5o96D-2egwA:
31.23
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.
2fvz INOSITOL
MONOPHOSPHATASE 2

(Homo sapiens) 		PF00459
(Inositol_P) 		5 LEU A 211
HIS A 213
ILE A 239
GLY A 217
ALA A 263
 None
 1.02A 5o96C-2fvzA:
2.2
5o96D-2fvzA:
2.5		 5o96C-2fvzA:
22.76
5o96D-2fvzA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h1i CARBOXYLESTERASE

(Bacillus cereus) 		PF02230
(Abhydrolase_2) 		5 LEU A  19
HIS A  21
ILE A 100
GLY A 101
GLY A 105
 None
 0.85A 5o96C-2h1iA:
undetectable
5o96D-2h1iA:
undetectable		 5o96C-2h1iA:
19.61
5o96D-2h1iA:
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.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		5 ILE A  63
GLY A  64
GLY A  66
VAL A 139
LEU A 140
 None
SAH  A4001 (-4.1A)
SAH  A4001 (-3.2A)
None
None
 0.95A 5o96C-2i62A:
undetectable
5o96D-2i62A:
undetectable		 5o96C-2i62A:
22.11
5o96D-2i62A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 ILE A  62
GLY A  63
GLY A  65
VAL A 138
LEU A 139
 None
SAH  A4001 (-4.0A)
SAH  A4001 (-3.0A)
None
None
 1.01A 5o96C-2iipA:
undetectable
5o96D-2iipA:
2.0		 5o96C-2iipA:
21.97
5o96D-2iipA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r79 PERIPLASMIC BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF01497
(Peripla_BP_2) 		5 ILE A 173
GLY A 174
GLY A 177
VAL A 259
LEU A 260
 HEM  A 500 ( 4.1A)
None
None
None
None
 0.86A 5o96C-2r79A:
2.6
5o96D-2r79A:
undetectable		 5o96C-2r79A:
23.73
5o96D-2r79A:
23.73
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.
2y6v PEROXISOMAL MEMBRANE
PROTEIN LPX1

(Saccharomyces
cerevisiae) 		PF12697
(Abhydrolase_6) 		5 HIS A  59
ILE A 142
GLY A 143
GLY A 147
VAL A 121
 None
 1.04A 5o96C-2y6vA:
2.1
5o96D-2y6vA:
2.6		 5o96C-2y6vA:
20.35
5o96D-2y6vA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yq4 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE

(Lactobacillus
delbrueckii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 206
ILE A 154
GLY A 155
GLY A 160
VAL A 151
 None
 1.06A 5o96C-2yq4A:
4.0
5o96D-2yq4A:
4.5		 5o96C-2yq4A:
21.47
5o96D-2yq4A:
21.47
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.
2z7b MLR6791 PROTEIN

(Mesorhizobium
japonicum) 		PF00596
(Aldolase_II) 		5 HIS A  94
ILE A  21
GLY A  26
VAL A 166
ALA A 179
 MN  A 235 (-3.8A)
None
None
None
None
 0.76A 5o96C-2z7bA:
undetectable
5o96D-2z7bA:
undetectable		 5o96C-2z7bA:
19.31
5o96D-2z7bA:
19.31
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.
3bf8 ESTERASE YBFF

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 LEU A  21
HIS A  23
ILE A  86
GLY A  87
GLY A  91
 None
 0.87A 5o96C-3bf8A:
undetectable
5o96D-3bf8A:
undetectable		 5o96C-3bf8A:
22.30
5o96D-3bf8A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c5w PP2A-SPECIFIC
METHYLESTERASE PME-1

(Homo sapiens) 		PF12697
(Abhydrolase_6) 		6 LEU P  81
HIS P  83
ILE P 153
GLY P 154
GLY P 158
VAL P 135
 None
 1.08A 5o96C-3c5wP:
undetectable
5o96D-3c5wP:
undetectable		 5o96C-3c5wP:
22.68
5o96D-3c5wP:
22.68
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.
3das PUTATIVE
OXIDOREDUCTASE

(Streptomyces
coelicolor) 		PF07995
(GSDH) 		5 ARG A 311
ILE A 176
GLY A 156
GLY A 143
ALA A 217
 PQQ  A4331 (-2.9A)
None
None
None
None
 1.01A 5o96C-3dasA:
undetectable
5o96D-3dasA:
undetectable		 5o96C-3dasA:
23.88
5o96D-3dasA:
23.88
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.
3ec3 PROTEIN
DISULFIDE-ISOMERASE
A4

(Rattus
norvegicus) 		PF13848
(Thioredoxin_6) 		5 GLU A 467
GLY A 470
VAL A 460
LEU A 463
ALA A 485
 None
 1.02A 5o96C-3ec3A:
2.7
5o96D-3ec3A:
3.1		 5o96C-3ec3A:
22.34
5o96D-3ec3A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fqd 5'-3'
EXORIBONUCLEASE 2

(Schizosaccharomyces
pombe) 		PF03159
(XRN_N) 		5 LEU A  54
ILE A  59
GLY A  58
VAL A 252
LEU A 253
 None
 0.97A 5o96C-3fqdA:
2.1
5o96D-3fqdA:
2.2		 5o96C-3fqdA:
13.95
5o96D-3fqdA:
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.
3h7a SHORT CHAIN
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00106
(adh_short) 		5 LEU A  61
ILE A  11
GLY A  12
GLY A  14
ALA A  63
 LEU  A  61 ( 0.6A)
ILE  A  11 ( 0.6A)
GLY  A  12 ( 0.0A)
GLY  A  14 ( 0.0A)
ALA  A  63 ( 0.0A)
 0.95A 5o96C-3h7aA:
3.6
5o96D-3h7aA:
3.6		 5o96C-3h7aA:
20.66
5o96D-3h7aA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpg INTEGRASE

(Visna-maedi
virus) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		5 LEU A  22
HIS A  23
ILE A  36
LEU A   7
ALA A   8
 None
 1.03A 5o96C-3hpgA:
undetectable
5o96D-3hpgA:
undetectable		 5o96C-3hpgA:
21.34
5o96D-3hpgA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k4h PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Bacillus
cytotoxicus) 		PF13377
(Peripla_BP_3) 		5 LEU A 170
ILE A 137
GLY A 138
GLY A 140
ALA A 182
 None
 1.02A 5o96C-3k4hA:
undetectable
5o96D-3k4hA:
2.6		 5o96C-3k4hA:
22.30
5o96D-3k4hA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kty PROBABLE
METHYLTRANSFERASE

(Bordetella
pertussis) 		PF00588
(SpoU_methylase) 		5 LEU A  85
GLY A 123
GLU A 125
GLY A 128
ALA A 157
 None
 0.94A 5o96C-3ktyA:
12.8
5o96D-3ktyA:
12.6		 5o96C-3ktyA:
21.07
5o96D-3ktyA:
21.07
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.
3l6c SERINE RACEMASE

(Rattus
norvegicus) 		PF00291
(PALP) 		5 LEU A 312
ILE A 282
GLY A 315
GLY A  53
ALA A 286
 None
 0.99A 5o96C-3l6cA:
undetectable
5o96D-3l6cA:
undetectable		 5o96C-3l6cA:
23.41
5o96D-3l6cA:
23.41
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.
3lad DIHYDROLIPOAMIDE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 148
ILE A   9
GLY A  10
GLY A  15
VAL A   6
 None
FAD  A 480 ( 4.9A)
FAD  A 480 (-3.2A)
None
None
 0.99A 5o96C-3ladA:
undetectable
5o96D-3ladA:
undetectable		 5o96C-3ladA:
20.08
5o96D-3ladA:
20.08
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.
3mog PROBABLE
3-HYDROXYBUTYRYL-COA
DEHYDROGENASE

(Escherichia
coli) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ILE A  11
GLY A  12
GLY A  17
VAL A  31
LEU A  32
 None
 0.98A 5o96C-3mogA:
2.8
5o96D-3mogA:
2.6		 5o96C-3mogA:
21.00
5o96D-3mogA:
21.00
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.
3mpi GLUTARYL-COA
DEHYDROGENASE

(Desulfococcus
multivorans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A  56
GLY A  53
GLY A  50
LEU A 117
ALA A  98
 None
 1.00A 5o96C-3mpiA:
undetectable
5o96D-3mpiA:
undetectable		 5o96C-3mpiA:
19.34
5o96D-3mpiA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nks PROTOPORPHYRINOGEN
OXIDASE

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 HIS A 415
ILE A 419
GLY A  57
LEU A 344
ALA A 172
 FAD  A 479 ( 4.9A)
ACJ  A 478 (-4.7A)
FAD  A 479 (-3.5A)
ACJ  A 478 (-4.0A)
ACJ  A 478 (-3.2A)
 0.95A 5o96C-3nksA:
undetectable
5o96D-3nksA:
undetectable		 5o96C-3nksA:
20.04
5o96D-3nksA:
20.04
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.
3nm1 THIAMINE
BIOSYNTHETIC
BIFUNCTIONAL ENZYME

([Candida]
glabrata) 		PF02110
(HK)
PF02581
(TMP-TENI) 		5 HIS A  68
GLY A  38
GLY A  34
VAL A  42
LEU A  41
 None
 0.93A 5o96C-3nm1A:
5.0
5o96D-3nm1A:
2.3		 5o96C-3nm1A:
16.73
5o96D-3nm1A:
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.
3o0h GLUTATHIONE
REDUCTASE

(Bartonella
henselae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 HIS A 200
ILE A 175
GLY A 182
GLY A 179
LEU A 261
 None
 0.78A 5o96C-3o0hA:
3.0
5o96D-3o0hA:
2.7		 5o96C-3o0hA:
19.62
5o96D-3o0hA:
19.62
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.
3obe SUGAR PHOSPHATE
ISOMERASE/EPIMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		5 LEU A 268
ILE A 296
GLY A 298
VAL A 329
ALA A 291
 None
None
EOH  A 402 (-3.4A)
None
None
 1.03A 5o96C-3obeA:
undetectable
5o96D-3obeA:
undetectable		 5o96C-3obeA:
24.63
5o96D-3obeA:
24.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3og9 PROTEIN YAHD A
COPPER INDUCIBLE
HYDROLASE

(Lactococcus
lactis) 		PF01738
(DLH) 		5 LEU A  18
HIS A  20
ILE A 104
GLY A 105
GLY A 109
 None
 0.87A 5o96C-3og9A:
undetectable
5o96D-3og9A:
undetectable		 5o96C-3og9A:
24.22
5o96D-3og9A:
24.22
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		5 LEU A  41
ILE A  77
GLY A  45
VAL A 136
ALA A  56
 None
 0.96A 5o96C-3q1yA:
2.0
5o96D-3q1yA:
2.4		 5o96C-3q1yA:
20.36
5o96D-3q1yA:
20.36
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.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ARG A 556
ILE A 186
GLY A 196
GLY A 358
VAL A 103
 FAY  A 600 (-4.1A)
None
None
None
None
 1.07A 5o96C-3q9tA:
undetectable
5o96D-3q9tA:
undetectable		 5o96C-3q9tA:
17.59
5o96D-3q9tA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 5 LEU A 153
GLY A 157
GLY A 190
LEU A 236
ALA A 235
 None
 1.05A 5o96C-3u4gA:
2.2
5o96D-3u4gA:
undetectable		 5o96C-3u4gA:
18.90
5o96D-3u4gA:
18.90
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.
3u9r METHYLCROTONYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 ARG B 332
LEU B 399
ILE B 367
GLY B 358
LEU B 338
 None
 1.05A 5o96C-3u9rB:
undetectable
5o96D-3u9rB:
undetectable		 5o96C-3u9rB:
17.64
5o96D-3u9rB:
17.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ufx SUCCINYL-COA
SYNTHETASE BETA
SUBUNIT

(Thermus
aquaticus) 		PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		5 LEU B 278
ILE B 253
GLY B 254
GLY B 256
ALA B 292
 None
 0.90A 5o96C-3ufxB:
2.9
5o96D-3ufxB:
3.5		 5o96C-3ufxB:
24.69
5o96D-3ufxB:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vvl HOMOSERINE
O-ACETYLTRANSFERASE

(Streptomyces
lavendulae) 		PF00561
(Abhydrolase_1) 		5 LEU A 158
HIS A 169
GLY A 152
VAL A  49
ALA A 130
 None
 1.08A 5o96C-3vvlA:
undetectable
5o96D-3vvlA:
undetectable		 5o96C-3vvlA:
21.26
5o96D-3vvlA:
21.26
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 LEU A 568
GLY A 566
GLY A 563
VAL A 490
ALA A 571
 None
None
None
RDF  A1665 ( 4.3A)
None
 1.07A 5o96C-3zukA:
undetectable
5o96D-3zukA:
undetectable		 5o96C-3zukA:
19.17
5o96D-3zukA:
19.17
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 172
ILE A 169
GLY A 257
GLY A 296
LEU A 271
 ZN  A 500 (-3.1A)
None
None
ACT  A 501 (-3.0A)
None
 1.00A 5o96C-4a69A:
undetectable
5o96D-4a69A:
undetectable		 5o96C-4a69A:
21.48
5o96D-4a69A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b9a PROBABLE EPOXIDE
HYDROLASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		5 LEU A  35
HIS A  37
ILE A 104
GLY A 105
GLY A 109
 None
 0.83A 5o96C-4b9aA:
undetectable
5o96D-4b9aA:
undetectable		 5o96C-4b9aA:
22.96
5o96D-4b9aA:
22.96
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS B 178
ILE B 175
GLY B 262
GLY B 301
LEU B 276
 ZN  B 600 (-3.3A)
None
None
ACT  B 601 (-3.4A)
None
 1.02A 5o96C-4bkxB:
undetectable
5o96D-4bkxB:
undetectable		 5o96C-4bkxB:
20.00
5o96D-4bkxB:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccw CARBOXYL ESTERASE NP

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 LEU A  60
HIS A  62
ILE A 127
GLY A 128
GLY A 132
 None
 0.82A 5o96C-4ccwA:
undetectable
5o96D-4ccwA:
undetectable		 5o96C-4ccwA:
23.17
5o96D-4ccwA:
23.17
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.
4cng SPOU RRNA METHYLASE

(Sulfolobus
acidocaldarius) 		PF00588
(SpoU_methylase) 		5 GLY A 111
GLY A 116
VAL A 139
LEU A 140
ALA A 145
 SAH  A1157 (-3.1A)
SAH  A1157 ( 3.2A)
SAH  A1157 ( 4.3A)
SAH  A1157 (-3.8A)
SAH  A1157 ( 3.7A)
 0.60A 5o96C-4cngA:
13.4
5o96D-4cngA:
13.8		 5o96C-4cngA:
24.10
5o96D-4cngA:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		6 ARG A  66
ILE A  39
GLY A  40
GLU A  45
GLY A  36
ALA A 240
 None
 0.95A 5o96C-4dqxA:
2.6
5o96D-4dqxA:
2.4		 5o96C-4dqxA:
20.77
5o96D-4dqxA:
20.77
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.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 ILE A  39
GLY A  40
GLU A  45
GLY A  35
ALA A 240
 None
 1.08A 5o96C-4dqxA:
2.6
5o96D-4dqxA:
2.4		 5o96C-4dqxA:
20.77
5o96D-4dqxA:
20.77
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.
4f0j PROBABLE HYDROLYTIC
ENZYME

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		5 LEU A  71
HIS A  73
ILE A 139
GLY A 140
GLY A 144
 None
 0.91A 5o96C-4f0jA:
undetectable
5o96D-4f0jA:
undetectable		 5o96C-4f0jA:
21.07
5o96D-4f0jA:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j3c RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Sinorhizobium
meliloti) 		PF04452
(Methyltrans_RNA) 		5 ILE A 194
GLY A 195
GLY A 199
LEU A 224
ALA A 229
 None
 0.54A 5o96C-4j3cA:
17.4
5o96D-4j3cA:
23.0		 5o96C-4j3cA:
31.27
5o96D-4j3cA:
31.27
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.
4jnc BIFUNCTIONAL EPOXIDE
HYDROLASE 2

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		5 LEU A 263
HIS A 265
ILE A 332
GLY A 333
GLY A 337
 None
 0.90A 5o96C-4jncA:
undetectable
5o96D-4jncA:
undetectable		 5o96C-4jncA:
20.91
5o96D-4jncA:
20.91
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.
4kh3 ANTIGEN 43

(Escherichia
coli) 		PF16168
(AIDA) 		5 LEU A 449
GLY A 447
GLY A 445
LEU A 403
ALA A 428
 None
 0.99A 5o96C-4kh3A:
undetectable
5o96D-4kh3A:
undetectable		 5o96C-4kh3A:
19.17
5o96D-4kh3A:
19.17
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.
4kqx KETOL-ACID
REDUCTOISOMERASE

(Slackia exigua) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 ILE A  33
GLY A  34
GLY A  39
VAL A  53
ALA A  80
 None
NAD  A 401 (-3.7A)
None
None
None
 1.04A 5o96C-4kqxA:
2.4
5o96D-4kqxA:
undetectable		 5o96C-4kqxA:
20.17
5o96D-4kqxA:
20.17
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.
4l69 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Mycobacterium
tuberculosis) 		PF04452
(Methyltrans_RNA) 		6 LEU A 175
HIS A 176
GLY A 199
GLY A 203
VAL A 226
ALA A 232
 None
 0.63A 5o96C-4l69A:
22.1
5o96D-4l69A:
22.4		 5o96C-4l69A:
29.77
5o96D-4l69A:
29.77
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.
4lxi MCP HYDROLASE

(Sphingomonas
wittichii) 		PF12697
(Abhydrolase_6) 		5 LEU A  30
HIS A  32
ILE A 102
GLY A 103
GLY A 107
 None
 0.87A 5o96C-4lxiA:
undetectable
5o96D-4lxiA:
undetectable		 5o96C-4lxiA:
20.00
5o96D-4lxiA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p80 ANCESTRAL PYRR
PROTEIN (GREEN)

(synthetic
construct) 		PF00156
(Pribosyltran) 		5 LEU A 102
ILE A  39
GLY A  38
GLY A  65
ALA A 116
 None
 1.07A 5o96C-4p80A:
undetectable
5o96D-4p80A:
undetectable		 5o96C-4p80A:
23.51
5o96D-4p80A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qmd ENVOPLAKIN

(Homo sapiens) 		PF00681
(Plectin) 		5 LEU A2011
ILE A1827
GLY A1855
LEU A1991
ALA A1996
 None
 0.99A 5o96C-4qmdA:
undetectable
5o96D-4qmdA:
undetectable		 5o96C-4qmdA:
21.77
5o96D-4qmdA:
21.77
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.
4y4s EXTRACELLULAR HEME
ACQUISITION
HEMOPHORE HASA

(Yersinia
pseudotuberculosis) 		PF06438
(HasA) 		5 HIS A  84
ILE A  87
GLY A  71
GLY A  52
ALA A  69
 HEM  A 301 (-3.3A)
None
None
None
None
 1.02A 5o96C-4y4sA:
undetectable
5o96D-4y4sA:
undetectable		 5o96C-4y4sA:
22.31
5o96D-4y4sA:
22.31
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.
5a62 PUTATIVE ALPHA/BETA
HYDROLASE FOLD
PROTEIN

(Candidatus
Nitrososphaera
gargensis) 		PF00561
(Abhydrolase_1) 		5 LEU A  28
HIS A  30
ILE A  96
GLY A  97
GLY A 101
 None
 0.90A 5o96C-5a62A:
2.2
5o96D-5a62A:
2.3		 5o96C-5a62A:
21.33
5o96D-5a62A:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ah1 TRIACYLGLYCEROL
LIPASE

(Clostridium
botulinum) 		no annotation 5 LEU A  82
HIS A  84
ILE A 179
GLY A 180
GLY A 184
 None
 0.99A 5o96C-5ah1A:
undetectable
5o96D-5ah1A:
undetectable		 5o96C-5ah1A:
20.13
5o96D-5ah1A:
20.13
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.
5all SOLUBLE EPOXIDE
HYDROLASE

(Homo sapiens) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		5 LEU A 263
HIS A 265
ILE A 332
GLY A 333
GLY A 337
 None
 0.91A 5o96C-5allA:
2.1
5o96D-5allA:
2.3		 5o96C-5allA:
17.92
5o96D-5allA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b2o CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Francisella
tularensis) 		no annotation 5 ARG A  32
ILE A1183
GLY A1184
GLY A  27
ALA A1174
 None
 1.03A 5o96C-5b2oA:
undetectable
5o96D-5b2oA:
undetectable		 5o96C-5b2oA:
8.94
5o96D-5b2oA:
8.94
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.
5buk FADH2-DEPENDENT
HALOGENASE

(Streptomyces
sp. CNQ-418) 		PF04820
(Trp_halogenase) 		5 LEU A  32
HIS A 141
ILE A   9
GLY A   8
ALA A  20
 None
 0.93A 5o96C-5bukA:
undetectable
5o96D-5bukA:
undetectable		 5o96C-5bukA:
21.40
5o96D-5bukA:
21.40
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.
5c5x AQUAPORIN-5

(Homo sapiens) 		PF00230
(MIP) 		5 LEU A  56
ILE A  68
GLY A  66
LEU A  19
ALA A  20
 None
 1.05A 5o96C-5c5xA:
undetectable
5o96D-5c5xA:
undetectable		 5o96C-5c5xA:
20.83
5o96D-5c5xA:
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.
5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 5 GLY B 101
GLU B 103
GLY B 106
LEU B 129
ALA B 134
 MTA  B 401 (-3.2A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.2A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.5A)
 0.81A 5o96C-5co4B:
13.3
5o96D-5co4B:
13.0		 5o96C-5co4B:
19.59
5o96D-5co4B:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 5 LEU C  31
HIS C  33
ILE C 100
GLY C 101
GLY C 105
 None
 0.83A 5o96C-5cw2C:
undetectable
5o96D-5cw2C:
undetectable		 5o96C-5cw2C:
22.55
5o96D-5cw2C:
22.55
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.
5dt9 ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Vibrio cholerae) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		5 ILE A 129
GLY A 130
GLY A 135
VAL A 149
LEU A 150
 None
NAD  A 401 (-3.6A)
None
None
None
 0.84A 5o96C-5dt9A:
2.4
5o96D-5dt9A:
2.3		 5o96C-5dt9A:
22.87
5o96D-5dt9A:
22.87
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.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		5 ARG A 243
LEU A  11
ILE A  24
GLY A  23
ALA A 257
 None
 1.01A 5o96C-5e2eA:
undetectable
5o96D-5e2eA:
undetectable		 5o96C-5e2eA:
23.51
5o96D-5e2eA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5giu PROLINE DIPEPTIDASE

(Deinococcus
radiodurans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 ARG A 258
LEU A 283
GLY A 299
LEU A 265
ALA A 266
 None
 1.08A 5o96C-5giuA:
undetectable
5o96D-5giuA:
undetectable		 5o96C-5giuA:
22.97
5o96D-5giuA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gt5 PECTATE LYASE

(Paenibacillus
sp. 0602) 		no annotation 5 LEU A 265
HIS A 266
ILE A 263
GLY A  11
ALA A 285
 None
 1.05A 5o96C-5gt5A:
undetectable
5o96D-5gt5A:
undetectable		 5o96C-5gt5A:
20.54
5o96D-5gt5A:
20.54
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.
5h5y NON-LEE ENCODED
EFFECTOR PROTEIN
NLEB

(Escherichia
coli) 		no annotation 5 LEU A  43
ILE A 196
GLY A 194
GLY A 213
ALA A 189
 None
 0.79A 5o96C-5h5yA:
2.3
5o96D-5h5yA:
undetectable		 5o96C-5h5yA:
undetectable
5o96D-5h5yA:
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.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B

(Homo sapiens) 		no annotation 5 LEU A 858
HIS A 859
GLY A 862
LEU A 854
ALA A 882
 None
 1.07A 5o96C-5hdtA:
undetectable
5o96D-5hdtA:
undetectable		 5o96C-5hdtA:
13.64
5o96D-5hdtA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jla PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 ARG A  48
ILE A  21
GLY A  22
GLU A  27
ALA A 217
 None
NAD  A 401 (-3.8A)
None
None
None
 0.90A 5o96C-5jlaA:
2.8
5o96D-5jlaA:
2.5		 5o96C-5jlaA:
25.61
5o96D-5jlaA:
25.61
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.
5jla PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 ILE A  21
GLY A  22
GLU A  27
GLY A  18
ALA A 217
 NAD  A 401 (-3.8A)
None
None
NAD  A 401 ( 4.0A)
None
 0.78A 5o96C-5jlaA:
2.8
5o96D-5jlaA:
2.5		 5o96C-5jlaA:
25.61
5o96D-5jlaA:
25.61
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.
5k3h ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 ILE A 312
GLY A 630
GLY A 634
VAL A 612
LEU A 615
 None
 1.06A 5o96C-5k3hA:
undetectable
5o96D-5k3hA:
undetectable		 5o96C-5k3hA:
17.01
5o96D-5k3hA:
17.01
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.
5l0z PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Sinorhizobium
meliloti) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 HIS A 213
GLY A 235
GLY A 240
LEU A 264
ALA A 269
 None
SAM  A 304 (-3.2A)
SAM  A 304 (-3.4A)
SAM  A 304 (-3.8A)
SAM  A 304 (-3.6A)
 0.57A 5o96C-5l0zA:
13.8
5o96D-5l0zA:
14.0		 5o96C-5l0zA:
22.48
5o96D-5l0zA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nv5 FIC FAMILY PROTEIN

(Enterococcus
faecalis) 		no annotation 5 ILE A 149
GLY A 189
VAL A 143
LEU A 176
ALA A 175
 None
 1.05A 5o96C-5nv5A:
undetectable
5o96D-5nv5A:
undetectable		 5o96C-5nv5A:
undetectable
5o96D-5nv5A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o96 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Legionella
pneumophila) 		no annotation 7 HIS A 174
ILE A 195
GLY A 196
GLY A 200
VAL A 223
LEU A 224
ALA A 229
 None
None
SAM  A 501 (-4.1A)
SAM  A 501 (-2.9A)
SAM  A 501 (-4.4A)
SAM  A 501 (-4.5A)
SAM  A 501 (-3.3A)
 0.41A 5o96C-5o96A:
37.5
5o96D-5o96A:
37.2		 5o96C-5o96A:
100.00
5o96D-5o96A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o96 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Legionella
pneumophila) 		no annotation 7 LEU A 173
HIS A 174
ILE A 195
GLY A 196
GLY A 200
LEU A 224
ALA A 229
 SAM  A 501 (-4.2A)
None
None
SAM  A 501 (-4.1A)
SAM  A 501 (-2.9A)
SAM  A 501 (-4.5A)
SAM  A 501 (-3.3A)
 0.74A 5o96C-5o96A:
37.5
5o96D-5o96A:
37.2		 5o96C-5o96A:
100.00
5o96D-5o96A:
100.00
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 LEU T1153
ILE T1149
GLY T1215
LEU T1166
ALA T1167
 None
 1.02A 5o96C-5ojsT:
undetectable
5o96D-5ojsT:
undetectable		 5o96C-5ojsT:
5.15
5o96D-5ojsT:
5.15
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.
5tr3 DIHYDROLIPOYL
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 149
ILE A  10
GLY A  11
GLY A  16
VAL A   7
 None
FAD  A 501 (-4.8A)
FAD  A 501 (-3.4A)
None
None
 1.01A 5o96C-5tr3A:
2.2
5o96D-5tr3A:
3.0		 5o96C-5tr3A:
20.12
5o96D-5tr3A:
20.12
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.
5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 LEU A1146
ILE A1117
GLY A1155
LEU A1129
ALA A1128
 None
 1.08A 5o96C-5u09A:
2.1
5o96D-5u09A:
2.7		 5o96C-5u09A:
20.08
5o96D-5u09A:
20.08
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.
5uki RNA LARIAT
DEBRANCHING ENZYME,
PUTATIVE

(Entamoeba
histolytica) 		no annotation 6 LEU A 178
ILE A  87
GLY A  44
GLY A  13
VAL A  40
LEU A  85
 None
 1.30A 5o96C-5ukiA:
undetectable
5o96D-5ukiA:
undetectable		 5o96C-5ukiA:
undetectable
5o96D-5ukiA:
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.
5v7o NOSK

(Streptomyces
actuosus) 		PF12697
(Abhydrolase_6) 		5 LEU A  34
HIS A  36
ILE A  99
GLY A 100
GLY A 105
 None
 0.90A 5o96C-5v7oA:
undetectable
5o96D-5v7oA:
undetectable		 5o96C-5v7oA:
20.06
5o96D-5v7oA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x9q PUTATIVE
CYTIDYLYLTRANSFERASE

(Burkholderia
pseudomallei) 		no annotation 5 HIS A  40
ILE A 141
GLY A 117
VAL A  56
ALA A  47
 None
 1.08A 5o96C-5x9qA:
2.7
5o96D-5x9qA:
2.9		 5o96C-5x9qA:
undetectable
5o96D-5x9qA:
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.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii) 		no annotation 5 LEU A 320
ILE A 290
GLY A 323
GLY A  60
ALA A 294
 None
 0.92A 5o96C-5ybwA:
undetectable
5o96D-5ybwA:
undetectable		 5o96C-5ybwA:
undetectable
5o96D-5ybwA:
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.
5ydl PKS

(Streptomyces
sp. CNQ431) 		no annotation 5 ILE A 346
GLY A 347
GLY A 349
VAL A 383
LEU A 384
 None
 1.06A 5o96C-5ydlA:
undetectable
5o96D-5ydlA:
undetectable		 5o96C-5ydlA:
undetectable
5o96D-5ydlA:
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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 GLY I 274
GLY I 160
VAL I  79
LEU I 110
ALA I 116
 None
 1.05A 5o96C-6esqI:
undetectable
5o96D-6esqI:
undetectable		 5o96C-6esqI:
undetectable
5o96D-6esqI:
undetectable