SIMILAR PATTERNS OF AMINO ACIDS FOR 3NMU_F_SAMF228_0

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.
1de6 L-RHAMNOSE ISOMERASE

(Escherichia
coli) 		PF06134
(RhaA) 		5 GLU A 410
ALA A 407
GLU A 397
ALA A  16
GLN A  12
 None
 1.20A 3nmuA-1de6A:
0.0
3nmuF-1de6A:
undetectable		 3nmuA-1de6A:
22.39
3nmuF-1de6A:
22.01
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.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		6 LYS A  58
GLY A  82
ASP A 130
ALA A 131
ASP A 150
GLN A 153
 None
 0.81A 3nmuA-1fbnA:
0.4
3nmuF-1fbnA:
34.7		 3nmuA-1fbnA:
22.74
3nmuF-1fbnA:
53.59
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.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		6 LYS A  58
GLY A  82
GLU A 105
ASP A 130
ALA A 131
ASP A 150
 None
 0.94A 3nmuA-1fbnA:
0.4
3nmuF-1fbnA:
34.7		 3nmuA-1fbnA:
22.74
3nmuF-1fbnA:
53.59
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.
1gud D-ALLOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		5 GLY A 141
ALA A 143
GLU A 149
ALA A 200
ASP A 174
 None
 1.27A 3nmuA-1gudA:
0.0
3nmuF-1gudA:
2.7		 3nmuA-1gudA:
22.77
3nmuF-1gudA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jsc ACETOHYDROXY-ACID
SYNTHASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 374
GLU A 407
SER A 409
ASP A 426
ALA A 427
 FAD  A 701 (-3.5A)
FAD  A 701 (-2.9A)
FAD  A 701 ( 3.9A)
FAD  A 701 (-3.8A)
FAD  A 701 (-3.5A)
 1.07A 3nmuA-1jscA:
0.0
3nmuF-1jscA:
undetectable		 3nmuA-1jscA:
20.82
3nmuF-1jscA:
15.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jwa MOLYBDOPTERIN
BIOSYNTHESIS MOEB
PROTEIN

(Escherichia
coli) 		PF00899
(ThiF) 		5 GLU B   3
ALA B   2
GLU B  27
PHE B  23
ASP B  22
 None
 1.17A 3nmuA-1jwaB:
undetectable
3nmuF-1jwaB:
5.8		 3nmuA-1jwaB:
21.32
3nmuF-1jwaB:
21.91
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.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		9 LYS A  42
GLY A  65
ALA A  67
GLU A  88
SER A  90
ASP A 113
ALA A 114
ASP A 133
GLN A 136
 SAM  A 301 (-3.0A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.4A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.4A)
 0.67A 3nmuA-1nt2A:
0.2
3nmuF-1nt2A:
21.3		 3nmuA-1nt2A:
21.39
3nmuF-1nt2A:
42.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oa1 HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
vulgaris) 		PF03063
(Prismane) 		5 TYR A 437
GLY A 405
ALA A 491
ASP A 455
ALA A 432
 None
 1.15A 3nmuA-1oa1A:
1.8
3nmuF-1oa1A:
undetectable		 3nmuA-1oa1A:
21.81
3nmuF-1oa1A:
18.94
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.
1po0 IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA PRECURSOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLU A 587
GLY A 197
ALA A 103
GLU A 541
ALA A 200
 None
 1.34A 3nmuA-1po0A:
0.0
3nmuF-1po0A:
undetectable		 3nmuA-1po0A:
20.35
3nmuF-1po0A:
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.
1ql0 NUCLEASE

(Serratia
marcescens) 		PF01223
(Endonuclease_NS) 		5 GLU A 127
GLY A 121
PHE A 200
ASP A 199
ALA A 198
 None
 1.23A 3nmuA-1ql0A:
0.0
3nmuF-1ql0A:
undetectable		 3nmuA-1ql0A:
20.05
3nmuF-1ql0A:
20.07
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.
1re5 3-CARBOXY-CIS,CIS-MU
CONATE
CYCLOISOMERASE

(Pseudomonas
putida) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 TYR A   9
LYS A 131
ALA A  12
PHE A  10
ALA A 294
 None
 1.05A 3nmuA-1re5A:
1.3
3nmuF-1re5A:
undetectable		 3nmuA-1re5A:
22.89
3nmuF-1re5A:
18.40
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 GLY A  46
ALA A  47
GLU A  70
SER A  72
ALA A 143
 AHZ  A 600 (-3.1A)
None
AHZ  A 600 (-2.7A)
None
AHZ  A 600 (-3.9A)
 1.12A 3nmuA-1rp0A:
undetectable
3nmuF-1rp0A:
3.1		 3nmuA-1rp0A:
21.74
3nmuF-1rp0A:
20.34
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.
1upx HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF03063
(Prismane) 		5 TYR A 430
GLY A 398
ALA A 484
ASP A 448
ALA A 425
 None
 1.13A 3nmuA-1upxA:
2.8
3nmuF-1upxA:
2.6		 3nmuA-1upxA:
22.00
3nmuF-1upxA:
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.
1xf1 C5A PEPTIDASE

(Streptococcus
pyogenes) 		PF00082
(Peptidase_S8)
PF02225
(PA)
PF06280
(fn3_5)
PF13585
(CHU_C) 		5 GLU A 216
GLY A 121
ALA A 222
ALA A 118
GLN A 115
 None
 1.33A 3nmuA-1xf1A:
undetectable
3nmuF-1xf1A:
undetectable		 3nmuA-1xf1A:
17.58
3nmuF-1xf1A:
13.12
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		5 GLU A 429
GLY A 318
GLU A 321
ALA A 324
ASP A 316
 PHE  A 802 ( 4.5A)
None
None
None
ZN  A 901 ( 1.9A)
 1.34A 3nmuA-1zefA:
undetectable
3nmuF-1zefA:
undetectable		 3nmuA-1zefA:
22.36
3nmuF-1zefA:
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.
2d16 HYPOTHETICAL PROTEIN
PH1918

(Pyrococcus
horikoshii) 		PF04008
(Adenosine_kin) 		5 GLY A  46
ALA A  70
ASP A  30
ALA A  33
ASP A  63
 None
 1.31A 3nmuA-2d16A:
undetectable
3nmuF-2d16A:
undetectable		 3nmuA-2d16A:
18.02
3nmuF-2d16A:
24.78
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.
2dul N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF02005
(TRM) 		5 ALA A  57
SER A  80
ASP A 120
ALA A 121
ASP A 138
 None
 0.86A 3nmuA-2dulA:
undetectable
3nmuF-2dulA:
8.8		 3nmuA-2dulA:
23.91
3nmuF-2dulA:
20.26
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.
2g4o 3-ISOPROPYLMALATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		5 ALA A  17
GLU A  18
SER A 326
ALA A 333
ASP A  24
 None
 1.34A 3nmuA-2g4oA:
undetectable
3nmuF-2g4oA:
undetectable		 3nmuA-2g4oA:
23.21
3nmuF-2g4oA:
23.30
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.
2gf2 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Homo sapiens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLU A 111
TYR A 113
ALA A 116
SER A 114
ALA A  93
 None
 1.33A 3nmuA-2gf2A:
undetectable
3nmuF-2gf2A:
5.6		 3nmuA-2gf2A:
21.41
3nmuF-2gf2A:
22.51
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.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		6 GLY A  62
ALA A  64
GLU A  85
ASP A 113
ALA A 114
ASP A 133
 None
None
None
ZN  A 306 ( 4.7A)
None
None
 0.82A 3nmuA-2gpyA:
undetectable
3nmuF-2gpyA:
10.8		 3nmuA-2gpyA:
20.93
3nmuF-2gpyA:
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.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		5 ALA A 169
PHE A 193
SER A 194
ASP A 217
ALA A 218
 None
MTA  A4001 (-3.5A)
None
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
 1.31A 3nmuA-2ipxA:
undetectable
3nmuF-2ipxA:
35.6		 3nmuA-2ipxA:
23.00
3nmuF-2ipxA:
49.17
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.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		7 GLY A 168
ALA A 169
GLU A 192
SER A 194
ASP A 217
ALA A 218
ASP A 237
 MTA  A4001 (-3.3A)
None
MTA  A4001 (-2.7A)
None
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
 1.42A 3nmuA-2ipxA:
undetectable
3nmuF-2ipxA:
35.6		 3nmuA-2ipxA:
23.00
3nmuF-2ipxA:
49.17
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.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		8 GLY A 168
ALA A 170
GLU A 192
SER A 194
ASP A 217
ALA A 218
ASP A 237
GLN A 240
 MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
MTA  A4001 (-2.7A)
None
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.0A)
 0.54A 3nmuA-2ipxA:
undetectable
3nmuF-2ipxA:
35.6		 3nmuA-2ipxA:
23.00
3nmuF-2ipxA:
49.17
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.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		5 LYS A 144
ALA A 170
GLU A 192
SER A 194
GLN A 240
 None
MTA  A4001 (-3.6A)
MTA  A4001 (-2.7A)
None
MTA  A4001 (-4.0A)
 0.83A 3nmuA-2ipxA:
undetectable
3nmuF-2ipxA:
35.6		 3nmuA-2ipxA:
23.00
3nmuF-2ipxA:
49.17
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.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		5 PHE A 193
SER A 194
ASP A 217
ALA A 218
GLN A 240
 MTA  A4001 (-3.5A)
None
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.0A)
 1.08A 3nmuA-2ipxA:
undetectable
3nmuF-2ipxA:
35.6		 3nmuA-2ipxA:
23.00
3nmuF-2ipxA:
49.17
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.
2lbc UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 13

(Homo sapiens) 		PF00627
(UBA) 		5 GLY A  31
GLU A  33
PHE A  36
ALA A  35
ASP A   3
 None
 1.35A 3nmuA-2lbcA:
undetectable
3nmuF-2lbcA:
undetectable		 3nmuA-2lbcA:
15.74
3nmuF-2lbcA:
20.09
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.
2nzu CATABOLITE CONTROL
PROTEIN

(Bacillus
megaterium) 		PF13377
(Peripla_BP_3) 		5 GLU G  77
GLY G 298
ALA G 145
ASP G 296
GLN G 292
 None
 1.30A 3nmuA-2nzuG:
undetectable
3nmuF-2nzuG:
undetectable		 3nmuA-2nzuG:
22.62
3nmuF-2nzuG:
20.68
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.
2p1f URIDINE
5'-MONOPHOSPHATE
SYNTHASE

(Homo sapiens) 		PF00215
(OMPdecase) 		5 GLU A 202
GLY A 210
ALA A 201
SER A 205
ALA A  51
 None
 1.13A 3nmuA-2p1fA:
undetectable
3nmuF-2p1fA:
undetectable		 3nmuA-2p1fA:
22.88
3nmuF-2p1fA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p88 MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Bacillus cereus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  48
ALA A 302
SER A 295
ASP A  51
ALA A  50
 None
 1.19A 3nmuA-2p88A:
undetectable
3nmuF-2p88A:
3.7		 3nmuA-2p88A:
21.45
3nmuF-2p88A:
22.37
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLU A 147
ASP A 178
ALA A 179
ASP A 196
 S4M  A 501 (-3.4A)
S4M  A 501 (-2.7A)
S4M  A 501 (-3.3A)
S4M  A 501 (-3.5A)
S4M  A 501 (-2.6A)
 0.70A 3nmuA-2pt6A:
undetectable
3nmuF-2pt6A:
10.1		 3nmuA-2pt6A:
22.14
3nmuF-2pt6A:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 238
ALA A 260
SER A 235
ASP A 262
GLN A 308
 None
 1.28A 3nmuA-2yfhA:
undetectable
3nmuF-2yfhA:
undetectable		 3nmuA-2yfhA:
23.36
3nmuF-2yfhA:
21.69
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 GLU A 342
GLY A 335
ALA A 339
ASP A 374
ALA A 377
 None
 1.11A 3nmuA-2yheA:
undetectable
3nmuF-2yheA:
undetectable		 3nmuA-2yheA:
21.15
3nmuF-2yheA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yrf METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Bacillus
subtilis) 		PF01008
(IF-2B) 		5 GLU A 296
LYS A 251
ASP A  43
ALA A  44
GLN A  24
 None
SO4  A 501 (-2.6A)
None
None
None
 1.35A 3nmuA-2yrfA:
undetectable
3nmuF-2yrfA:
2.3		 3nmuA-2yrfA:
22.71
3nmuF-2yrfA:
23.62
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.
3a31 PROBABLE
THREONYL-TRNA
SYNTHETASE 1

(Aeropyrum
pernix) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLY A 258
ALA A 255
SER A 207
ALA A 228
ASP A 284
 None
 0.92A 3nmuA-3a31A:
undetectable
3nmuF-3a31A:
undetectable		 3nmuA-3a31A:
23.51
3nmuF-3a31A:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afe HYDROXYLASE,
PUTATIVE

(Mycobacterium
tuberculosis) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 GLY A 219
ALA A 222
ASP A 215
ALA A 212
ASP A 100
 None
 0.85A 3nmuA-3afeA:
undetectable
3nmuF-3afeA:
undetectable		 3nmuA-3afeA:
22.01
3nmuF-3afeA:
20.10
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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE

(Bifidobacterium
breve) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		5 GLU A 502
GLY A 648
SER A 711
ALA A 708
ASP A 649
 None
 1.29A 3nmuA-3ahiA:
undetectable
3nmuF-3ahiA:
undetectable		 3nmuA-3ahiA:
19.27
3nmuF-3ahiA:
14.63
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.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 5 TYR A 255
GLY A 321
ALA A 320
ASP A 269
ALA A 270
 None
 1.30A 3nmuA-3b7fA:
undetectable
3nmuF-3b7fA:
undetectable		 3nmuA-3b7fA:
21.90
3nmuF-3b7fA:
20.87
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.
3bm1 PROTEIN YDJA

(Escherichia
coli) 		PF00881
(Nitroreductase) 		5 GLU A  18
GLY A 161
ALA A  20
ALA A  13
GLN A 164
 None
 1.29A 3nmuA-3bm1A:
undetectable
3nmuF-3bm1A:
undetectable		 3nmuA-3bm1A:
20.33
3nmuF-3bm1A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bu8 TELOMERIC
REPEAT-BINDING
FACTOR 2

(Homo sapiens) 		PF08558
(TRF) 		5 GLU A 112
TYR A  73
PHE A  68
ALA A  64
ASP A  81
 None
 1.27A 3nmuA-3bu8A:
undetectable
3nmuF-3bu8A:
undetectable		 3nmuA-3bu8A:
24.71
3nmuF-3bu8A:
21.30
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.
3d1k HEMOGLOBIN SUBUNIT
ALPHA-1

(Trematomus
newnesi) 		PF00042
(Globin) 		5 GLU A 139
GLY A  80
SER A  85
ALA A  70
ASP A  76
 None
 1.24A 3nmuA-3d1kA:
2.4
3nmuF-3d1kA:
undetectable		 3nmuA-3d1kA:
17.11
3nmuF-3d1kA:
22.36
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.
3ddn D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		5 ALA A 181
SER A 176
ASP A 172
ALA A 170
GLN A 155
 None
 1.14A 3nmuA-3ddnA:
undetectable
3nmuF-3ddnA:
5.2		 3nmuA-3ddnA:
23.32
3nmuF-3ddnA:
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.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		5 GLY A  66
GLU A  90
SER A  92
ALA A 119
ASP A 140
 None
 0.89A 3nmuA-3dulA:
undetectable
3nmuF-3dulA:
13.6		 3nmuA-3dulA:
22.45
3nmuF-3dulA:
24.81
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.
3e35 UNCHARACTERIZED
PROTEIN SCO1997

(Streptomyces
coelicolor) 		PF09754
(PAC2) 		5 GLU A 222
GLY A 234
ALA A 236
ASP A 101
ALA A 102
 None
 1.28A 3nmuA-3e35A:
undetectable
3nmuF-3e35A:
undetectable		 3nmuA-3e35A:
22.33
3nmuF-3e35A:
20.42
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.
3f8r THIOREDOXIN
REDUCTASE (TRXB-3)

(Sulfolobus
solfataricus) 		PF07992
(Pyr_redox_2) 		5 GLY A 169
ALA A 166
GLU A 246
ASP A 148
ALA A 149
 None
 1.19A 3nmuA-3f8rA:
undetectable
3nmuF-3f8rA:
3.3		 3nmuA-3f8rA:
22.33
3nmuF-3f8rA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY A  94
GLU A 117
ASP A 144
ALA A 145
ASP A 163
 None
FMT  A 315 (-3.6A)
None
None
None
 0.65A 3nmuA-3gjyA:
undetectable
3nmuF-3gjyA:
9.2		 3nmuA-3gjyA:
21.61
3nmuF-3gjyA:
19.35
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.
3j2i PROLIFERATION-ASSOCI
ATED PROTEIN 2G4

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 GLY A  24
ALA A 119
PHE A 117
ASP A 115
ASP A  26
 None
 1.13A 3nmuA-3j2iA:
undetectable
3nmuF-3j2iA:
undetectable		 3nmuA-3j2iA:
22.04
3nmuF-3j2iA:
21.35
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.
3m6m SENSORY/REGULATORY
PROTEIN RPFC

(Xanthomonas
campestris) 		PF00072
(Response_reg) 		5 GLY D 520
SER D 544
ASP D 468
ALA D 467
ASP D 522
 None
None
MG  D 591 ( 4.4A)
None
None
 1.26A 3nmuA-3m6mD:
undetectable
3nmuF-3m6mD:
undetectable		 3nmuA-3m6mD:
18.65
3nmuF-3m6mD:
21.76
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.
3mzb NICKEL-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		5 GLY A 388
SER A 415
ASP A 418
ALA A 421
GLN A 385
 None
None
None
None
ACT  A 508 (-2.9A)
 1.22A 3nmuA-3mzbA:
undetectable
3nmuF-3mzbA:
undetectable		 3nmuA-3mzbA:
23.86
3nmuF-3mzbA:
19.38
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.
3nh9 ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
6, MITOCHONDRIAL

(Homo sapiens) 		PF00005
(ABC_tran) 		5 TYR A 599
GLY A 800
PHE A 597
SER A 598
ASP A 799
 ATP  A   1 (-3.2A)
None
None
None
None
 1.31A 3nmuA-3nh9A:
undetectable
3nmuF-3nh9A:
undetectable		 3nmuA-3nh9A:
23.76
3nmuF-3nh9A:
25.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oac GERANYL DIPHOSPHATE
SYNTHASE SMALL
SUBUNIT

(Mentha x
piperita) 		no annotation 5 GLU B 181
TYR B 179
GLY B 146
ALA B 145
ALA B  76
 None
 1.37A 3nmuA-3oacB:
1.5
3nmuF-3oacB:
undetectable		 3nmuA-3oacB:
22.78
3nmuF-3oacB:
22.66
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.
3p1u SUSD HOMOLOG

(Parabacteroides
distasonis) 		PF12741
(SusD-like) 		5 GLY A 406
ALA A 405
PHE A 411
ALA A 459
GLN A 455
 None
 1.23A 3nmuA-3p1uA:
undetectable
3nmuF-3p1uA:
undetectable		 3nmuA-3p1uA:
21.01
3nmuF-3p1uA:
19.06
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.
3p1u SUSD HOMOLOG

(Parabacteroides
distasonis) 		PF12741
(SusD-like) 		5 TYR A 423
ALA A 405
PHE A 411
ALA A 459
GLN A 455
 None
 1.25A 3nmuA-3p1uA:
undetectable
3nmuF-3p1uA:
undetectable		 3nmuA-3p1uA:
21.01
3nmuF-3p1uA:
19.06
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.
3tij NUPC FAMILY PROTEIN

(Vibrio cholerae) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		5 GLU A 142
GLY A 213
ALA A 175
SER A 145
ALA A 209
 None
 1.34A 3nmuA-3tijA:
undetectable
3nmuF-3tijA:
undetectable		 3nmuA-3tijA:
24.89
3nmuF-3tijA:
19.95
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.
3uko ALCOHOL
DEHYDROGENASE
CLASS-3

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 224
PHE A 269
SER A 268
ALA A 211
ASP A 226
 None
None
None
None
NAD  A 402 (-2.8A)
 1.12A 3nmuA-3ukoA:
undetectable
3nmuF-3ukoA:
5.8		 3nmuA-3ukoA:
22.30
3nmuF-3ukoA:
20.69
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.
3vpz GLUCOKINASE

(Pseudoalteromonas
sp. AS-131) 		PF02685
(Glucokinase) 		5 GLU A 291
PHE A 293
SER A 294
ALA A 256
ASP A 251
 None
 1.36A 3nmuA-3vpzA:
3.2
3nmuF-3vpzA:
undetectable		 3nmuA-3vpzA:
22.22
3nmuF-3vpzA:
22.25
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 GLY A 104
GLU A 133
ASP A 174
ALA A 175
ASP A 193
 SAM  A 501 (-3.6A)
SAM  A 501 (-2.3A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.8A)
SAM  A 501 (-3.8A)
 0.63A 3nmuA-3vywA:
undetectable
3nmuF-3vywA:
6.8		 3nmuA-3vywA:
21.99
3nmuF-3vywA:
24.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		5 GLU A 311
TYR A 312
GLY A 376
PHE A 313
GLN A 316
 None
 1.29A 3nmuA-3w3aA:
undetectable
3nmuF-3w3aA:
undetectable		 3nmuA-3w3aA:
22.56
3nmuF-3w3aA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 5 TYR A 269
GLY A 238
ALA A 272
PHE A 294
ASP A 240
 None
 1.37A 3nmuA-4a7kA:
undetectable
3nmuF-4a7kA:
undetectable		 3nmuA-4a7kA:
17.33
3nmuF-4a7kA:
13.94
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.
4bht NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 239
ALA A 261
SER A 236
ASP A 263
GLN A 309
 None
 1.34A 3nmuA-4bhtA:
0.5
3nmuF-4bhtA:
undetectable		 3nmuA-4bhtA:
22.06
3nmuF-4bhtA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		5 TYR A 771
GLY A 720
ALA A 777
ALA A 713
GLN A 716
 None
 1.29A 3nmuA-4bq4A:
undetectable
3nmuF-4bq4A:
undetectable		 3nmuA-4bq4A:
19.08
3nmuF-4bq4A:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		5 LYS V 366
GLY V 589
ALA V 522
ASP V 592
ALA V 286
 None
None
None
MAN  V1501 (-3.8A)
None
 1.23A 3nmuA-4bxsV:
undetectable
3nmuF-4bxsV:
undetectable		 3nmuA-4bxsV:
14.50
3nmuF-4bxsV:
10.64
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.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		8 GLY E  81
ALA E  83
GLU E 105
PHE E 106
SER E 107
ASP E 130
ALA E 131
GLN E 153
 None
C  X   5 ( 2.4A)
None
None
G  A  22 ( 2.7A)
None
None
G  A  24 ( 3.0A)
 0.93A 3nmuA-4by9E:
undetectable
3nmuF-4by9E:
34.7		 3nmuA-4by9E:
22.51
3nmuF-4by9E:
97.01
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.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		9 LYS E  57
GLY E  81
GLU E 105
PHE E 106
SER E 107
ASP E 130
ALA E 131
ASP E 150
GLN E 153
 C  X   5 ( 2.7A)
None
None
None
G  A  22 ( 2.7A)
None
None
C  X   5 ( 3.2A)
G  A  24 ( 3.0A)
 1.03A 3nmuA-4by9E:
undetectable
3nmuF-4by9E:
34.7		 3nmuA-4by9E:
22.51
3nmuF-4by9E:
97.01
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.
4ci7 CELL SURFACE PROTEIN
(PUTATIVE CELL
SURFACE-ASSOCIATED
CYSTEINE PROTEASE)

(Clostridioides
difficile) 		PF00112
(Peptidase_C1) 		5 TYR A 322
GLY A 121
ALA A 265
SER A 235
ALA A 168
 None
 1.18A 3nmuA-4ci7A:
undetectable
3nmuF-4ci7A:
undetectable		 3nmuA-4ci7A:
22.04
3nmuF-4ci7A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		8 LYS A  61
GLY A  85
ALA A  87
GLU A 109
ASP A 134
ALA A 135
ASP A 154
GLN A 157
 SAM  A 301 ( 3.9A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.8A)
 0.51A 3nmuA-4df3A:
undetectable
3nmuF-4df3A:
32.9		 3nmuA-4df3A:
22.65
3nmuF-4df3A:
53.59
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.
4dte SERPIN PEPTIDASE
INHIBITOR, CLADE E
(NEXIN, PLASMINOGEN
ACTIVATOR INHIBITOR
TYPE 1), MEMBER 1

(Danio rerio) 		PF00079
(Serpin) 		5 TYR A  32
GLY A  11
SER A  30
ASP A   9
GLN A   7
 None
 1.13A 3nmuA-4dteA:
undetectable
3nmuF-4dteA:
undetectable		 3nmuA-4dteA:
22.17
3nmuF-4dteA:
23.69
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.
4ege DIPEPTIDASE PEPE

(Mycobacterium
ulcerans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 TYR A 235
GLY A 232
ALA A 199
SER A 196
ASP A 242
 None
None
None
None
ZN  A 412 ( 2.3A)
 1.10A 3nmuA-4egeA:
undetectable
3nmuF-4egeA:
undetectable		 3nmuA-4egeA:
22.62
3nmuF-4egeA:
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.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		5 TYR A 702
GLY A 635
ALA A 695
ALA A 640
GLN A 647
 None
 1.25A 3nmuA-4fgvA:
undetectable
3nmuF-4fgvA:
undetectable		 3nmuA-4fgvA:
17.48
3nmuF-4fgvA:
11.97
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.
4m7c TELOMERIC
REPEAT-BINDING
FACTOR 2

(Homo sapiens) 		PF08558
(TRF) 		5 GLU A 112
TYR A  73
PHE A  68
ALA A  64
ASP A  81
 None
 1.31A 3nmuA-4m7cA:
undetectable
3nmuF-4m7cA:
undetectable		 3nmuA-4m7cA:
21.57
3nmuF-4m7cA:
21.51
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.
4p1c TOLUENE-4-MONOOXYGEN
ASE SYSTEM PROTEIN A

(Pseudomonas
mendocina) 		PF02332
(Phenol_Hydrox) 		5 GLU A 197
GLY A 103
ALA A 107
PHE A 175
ALA A 172
 FE  A 502 ( 2.6A)
PEG  A 503 ( 4.5A)
PEG  A 503 ( 4.1A)
None
None
 1.27A 3nmuA-4p1cA:
undetectable
3nmuF-4p1cA:
undetectable		 3nmuA-4p1cA:
22.14
3nmuF-4p1cA:
19.47
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.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		5 TYR A 146
ALA A 107
PHE A 147
SER A 143
ALA A 151
 None
 1.23A 3nmuA-4pz2A:
undetectable
3nmuF-4pz2A:
4.3		 3nmuA-4pz2A:
22.96
3nmuF-4pz2A:
19.74
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.
4tmz EIF5B

(Chaetomium
thermophilum) 		no annotation 5 GLU B 552
GLY B 561
GLU B 804
ASP B 766
GLN B 559
 MG  B 902 ( 3.9A)
None
None
None
None
 1.30A 3nmuA-4tmzB:
undetectable
3nmuF-4tmzB:
2.8		 3nmuA-4tmzB:
23.56
3nmuF-4tmzB:
22.91
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLU A 147
ASP A 178
ALA A 179
ASP A 196
 MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
4ZY  A 501 ( 3.6A)
 0.75A 3nmuA-4uoeA:
undetectable
3nmuF-4uoeA:
9.6		 3nmuA-4uoeA:
21.57
3nmuF-4uoeA:
25.17
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.
4x7m TARM

(Staphylococcus
aureus) 		PF00534
(Glycos_transf_1) 		5 LYS A 331
GLY A 427
SER A 303
ALA A 285
GLN A 286
 UDP  A 500 (-3.0A)
None
None
None
None
 1.36A 3nmuA-4x7mA:
undetectable
3nmuF-4x7mA:
3.9		 3nmuA-4x7mA:
22.33
3nmuF-4x7mA:
18.71
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.
4xr7 PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2
PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN3

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		5 ALA G 775
PHE G 785
ASP G 854
ALA G 855
ASP L 513
 None
 1.25A 3nmuA-4xr7G:
undetectable
3nmuF-4xr7G:
undetectable		 3nmuA-4xr7G:
19.52
3nmuF-4xr7G:
15.02
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		5 GLY A  73
GLU A  98
SER A 100
ALA A 127
ASP A 144
 SAM  A1001 (-3.3A)
SAM  A1001 (-2.7A)
SAM  A1001 ( 4.8A)
SAM  A1001 (-3.4A)
SAM  A1001 (-3.6A)
 0.45A 3nmuA-4ymgA:
undetectable
3nmuF-4ymgA:
10.2		 3nmuA-4ymgA:
22.05
3nmuF-4ymgA:
22.18
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.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		5 GLY A 174
ALA A 176
SER A 179
ALA A 492
ASP A 171
 None
 1.34A 3nmuA-5a2rA:
2.5
3nmuF-5a2rA:
undetectable		 3nmuA-5a2rA:
22.62
3nmuF-5a2rA:
17.03
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.
5cvo WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40) 		5 GLY A 136
SER A 173
ASP A  80
ALA A  93
ASP A 118
 None
 1.30A 3nmuA-5cvoA:
undetectable
3nmuF-5cvoA:
undetectable		 3nmuA-5cvoA:
20.45
3nmuF-5cvoA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dny DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
MRE11

(Methanocaldococcus
jannaschii) 		PF00149
(Metallophos) 		5 GLU A 213
TYR A 217
GLY A 204
ASP A 243
ASP A   8
 None
None
None
None
MG  A 401 (-2.8A)
 1.35A 3nmuA-5dnyA:
undetectable
3nmuF-5dnyA:
undetectable		 3nmuA-5dnyA:
23.06
3nmuF-5dnyA:
21.45
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.
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 GLY A 203
ALA A 204
ASP A 213
ALA A 214
ASP A 238
 GLY  A 203 ( 0.0A)
ALA  A 204 ( 0.0A)
ASP  A 213 ( 0.6A)
ALA  A 214 ( 0.0A)
ASP  A 238 ( 0.6A)
 1.35A 3nmuA-5ep8A:
undetectable
3nmuF-5ep8A:
undetectable		 3nmuA-5ep8A:
23.25
3nmuF-5ep8A:
18.69
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.
5ey5 LBCA-B

(synthetic
construct) 		PF00291
(PALP) 		5 LYS B  84
GLY B 108
ALA B 109
ASP B 165
ALA B 166
 PLP  B 501 (-1.4A)
None
None
None
None
 1.26A 3nmuA-5ey5B:
undetectable
3nmuF-5ey5B:
undetectable		 3nmuA-5ey5B:
22.37
3nmuF-5ey5B:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fn4 NICASTRIN
GAMMA-SECRETASE
SUBUNIT APH-1A

(Homo sapiens;
Homo sapiens) 		PF05450
(Nicastrin)
PF06105
(Aph-1) 		5 GLU A 669
GLY C   8
ALA C   4
PHE C 157
ALA C 161
 None
 1.30A 3nmuA-5fn4A:
undetectable
3nmuF-5fn4A:
undetectable		 3nmuA-5fn4A:
20.88
3nmuF-5fn4A:
16.62
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.
5g2x GROUP II
INTRON-ENCODED
PROTEIN LTRA

(Lactococcus
lactis) 		PF00078
(RVT_1)
PF01348
(Intron_maturas2) 		5 GLY C  53
ALA C  59
ASP C 107
ASP C  57
GLN C 111
 None
 1.27A 3nmuA-5g2xC:
undetectable
3nmuF-5g2xC:
undetectable		 3nmuA-5g2xC:
22.31
3nmuF-5g2xC:
18.35
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.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		5 GLU E 108
PHE E 109
SER E 110
ASP E 133
ALA E 134
 SAH  E 301 (-3.0A)
SAH  E 301 (-3.6A)
A  G  24 ( 2.5A)
SAH  E 301 (-3.5A)
SAH  E 301 (-3.6A)
 0.81A 3nmuA-5ginE:
undetectable
3nmuF-5ginE:
36.5		 3nmuA-5ginE:
22.51
3nmuF-5ginE:
50.00
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.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		6 GLY E  84
ALA E  85
GLU E 108
ASP E 133
ALA E 134
ASP E 153
 SAH  E 301 (-3.8A)
None
SAH  E 301 (-3.0A)
SAH  E 301 (-3.5A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.7A)
 1.48A 3nmuA-5ginE:
undetectable
3nmuF-5ginE:
36.5		 3nmuA-5ginE:
22.51
3nmuF-5ginE:
50.00
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.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		9 LYS E  60
GLY E  84
ALA E  86
GLU E 108
SER E 110
ASP E 133
ALA E 134
ASP E 153
GLN E 156
 U  I   4 ( 3.9A)
SAH  E 301 (-3.8A)
SAH  E 301 ( 3.7A)
SAH  E 301 (-3.0A)
A  G  24 ( 2.5A)
SAH  E 301 (-3.5A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.7A)
SAH  E 301 (-3.8A)
 0.69A 3nmuA-5ginE:
undetectable
3nmuF-5ginE:
36.5		 3nmuA-5ginE:
22.51
3nmuF-5ginE:
50.00
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.
5gtq LUCIFERIN
REGENERATING ENZYME

(Photinus
pyralis) 		PF08450
(SGL) 		5 GLY A 303
ALA A 302
ASP A 115
ALA A 114
ASP A  23
 None
None
None
None
GOL  A 406 ( 3.9A)
 1.14A 3nmuA-5gtqA:
undetectable
3nmuF-5gtqA:
undetectable		 3nmuA-5gtqA:
20.35
3nmuF-5gtqA:
22.57
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.
5hsi PUTATIVE
DECARBOXYLASE

(Lactobacillus
brevis) 		PF00282
(Pyridoxal_deC) 		6 GLU A 164
LYS A 441
GLY A 402
SER A 385
ASP A 328
ALA A 330
 None
 1.47A 3nmuA-5hsiA:
2.0
3nmuF-5hsiA:
undetectable		 3nmuA-5hsiA:
22.03
3nmuF-5hsiA:
16.98
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.
5lm9 TRANSCRIPTION
TERMINATION/ANTITERM
INATION PROTEIN NUSA

(Escherichia
coli) 		PF00575
(S1)
PF08529
(NusA_N)
PF13184
(KH_5) 		5 GLU A 335
LYS A 347
SER A 329
ALA A 281
ASP A 306
 None
MG  A 506 ( 4.8A)
None
None
MG  A 506 (-4.0A)
 1.29A 3nmuA-5lm9A:
2.7
3nmuF-5lm9A:
undetectable		 3nmuA-5lm9A:
22.05
3nmuF-5lm9A:
22.81
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN7
26S PROTEASOME
REGULATORY SUBUNIT
RPN3

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF10602
(RPN7)
PF01399
(PCI)
PF08375
(Rpn3_C) 		5 GLU S 474
TYR S 475
GLY R 418
ALA R 419
SER S 478
 None
 1.35A 3nmuA-5mpdS:
undetectable
3nmuF-5mpdS:
undetectable		 3nmuA-5mpdS:
22.57
3nmuF-5mpdS:
17.49
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.
5o6b ATP-DEPENDENT DNA
HELICASE PIF1

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 709
ALA A 293
GLU A 342
ASP A 378
ALA A 260
 ALF  A1002 (-3.0A)
None
ALF  A1002 (-3.4A)
None
ALF  A1002 (-3.1A)
 1.32A 3nmuA-5o6bA:
undetectable
3nmuF-5o6bA:
undetectable		 3nmuA-5o6bA:
undetectable
3nmuF-5o6bA:
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.
5wpw 11S GLOBULIN ISOFORM
1

(Cocos nucifera) 		no annotation 5 GLY A 202
ALA A 201
SER A  97
ASP A 249
GLN A 204
 None
 1.33A 3nmuA-5wpwA:
undetectable
3nmuF-5wpwA:
undetectable		 3nmuA-5wpwA:
21.66
3nmuF-5wpwA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x6x MRNA CAPPING ENZYME
P5

(Rice dwarf
virus) 		no annotation 5 GLY C 210
GLU C 230
SER C 232
ASP C 471
ALA C 472
 None
 0.93A 3nmuA-5x6xC:
undetectable
3nmuF-5x6xC:
6.3		 3nmuA-5x6xC:
undetectable
3nmuF-5x6xC:
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.
5xyi 40S RIBOSOMAL
PROTEIN S16,
PUTATIVE

(Trichomonas
vaginalis) 		PF00380
(Ribosomal_S9) 		5 TYR Q  76
GLY Q   8
ALA Q  15
ASP Q 117
ALA Q 116
 None
 1.15A 3nmuA-5xyiQ:
undetectable
3nmuF-5xyiQ:
undetectable		 3nmuA-5xyiQ:
16.36
3nmuF-5xyiQ:
22.69
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.
5y7o UGGT

(Thermomyces
dupontii) 		PF06427
(UDP-g_GGTase) 		5 GLU A 200
GLY A  71
ALA A  69
GLU A  70
ASP A  74
 None
 1.37A 3nmuA-5y7oA:
undetectable
3nmuF-5y7oA:
undetectable		 3nmuA-5y7oA:
15.58
3nmuF-5y7oA:
12.76
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 6 GLY A  62
ALA A  64
GLU A  85
ASP A 113
ALA A 114
ASP A 133
 SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.7A)
SAM  A 302 (-3.6A)
 0.60A 3nmuA-5zw4A:
undetectable
3nmuF-5zw4A:
12.0		 3nmuA-5zw4A:
23.48
3nmuF-5zw4A:
23.62
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 5 ALA A 364
GLU A 339
ASP A 326
ALA A 332
ASP A 116
 None
 1.36A 3nmuA-6b6lA:
undetectable
3nmuF-6b6lA:
undetectable		 3nmuA-6b6lA:
18.63
3nmuF-6b6lA:
15.08
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.
6en9 HYDROGENASE-2 SMALL
CHAIN

(Escherichia
coli) 		no annotation 5 GLU S  70
TYR S  72
GLY S 110
ALA S 112
GLN S  75
 None
 1.10A 3nmuA-6en9S:
undetectable
3nmuF-6en9S:
undetectable		 3nmuA-6en9S:
undetectable
3nmuF-6en9S:
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1
DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT RPAC1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		5 ALA C  27
PHE C  23
SER C  24
ASP A 572
ALA A 574
 None
 1.24A 3nmuA-6f42C:
undetectable
3nmuF-6f42C:
undetectable		 3nmuA-6f42C:
undetectable
3nmuF-6f42C:
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.
6fth EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		no annotation 5 GLU A  54
GLY A 394
ASP A 397
ALA A 396
ASP A  31
 None
 1.26A 3nmuA-6fthA:
undetectable
3nmuF-6fthA:
undetectable		 3nmuA-6fthA:
undetectable
3nmuF-6fthA:
undetectable