SIMILAR PATTERNS OF AMINO ACIDS FOR 3NVK_J_SAMJ228_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.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		6 GLY A  82
ASP A 130
ALA A 131
ASP A 150
VAL A 151
GLN A 153
 None
 0.77A 3nvkF-1fbnA:
0.0
3nvkJ-1fbnA:
33.9		 3nvkF-1fbnA:
22.40
3nvkJ-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) 		5 GLY A  82
GLU A 105
ASP A 130
ALA A 131
ASP A 150
 None
 1.11A 3nvkF-1fbnA:
0.0
3nvkJ-1fbnA:
33.9		 3nvkF-1fbnA:
22.40
3nvkJ-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.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 GLU A 358
TYR A 357
ASP A 351
VAL A 352
GLN A 353
 None
 1.07A 3nvkF-1hwwA:
0.0
3nvkJ-1hwwA:
undetectable		 3nvkF-1hwwA:
17.80
3nvkJ-1hwwA:
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.
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
 1.06A 3nvkF-1jwaB:
0.1
3nvkJ-1jwaB:
6.0		 3nvkF-1jwaB:
21.16
3nvkJ-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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 TYR A 188
GLY A 186
ALA A  68
ASP A 153
VAL A 154
 None
 1.25A 3nvkF-1mjfA:
0.0
3nvkJ-1mjfA:
12.4		 3nvkF-1mjfA:
25.26
3nvkJ-1mjfA:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		7 GLY A  65
ALA A  67
GLU A  88
ASP A 113
ALA A 114
ASP A 133
GLN A 136
 SAM  A 301 ( 3.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.4A)
 0.76A 3nvkF-1nt2A:
0.0
3nvkJ-1nt2A:
29.4		 3nvkF-1nt2A:
21.39
3nvkJ-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.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		5 GLY A 108
GLU A 132
ASP A 160
ASP A 176
VAL A 177
 None
 0.80A 3nvkF-1o54A:
undetectable
3nvkJ-1o54A:
16.3		 3nvkF-1o54A:
23.64
3nvkJ-1o54A:
26.15
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.
1ufr PYR MRNA-BINDING
ATTENUATION PROTEIN

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		5 GLY A 149
ALA A  16
PHE A 147
ALA A 145
VAL A 132
 None
 1.20A 3nvkF-1ufrA:
undetectable
3nvkJ-1ufrA:
undetectable		 3nvkF-1ufrA:
20.11
3nvkJ-1ufrA:
22.63
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.
1ufr PYR MRNA-BINDING
ATTENUATION PROTEIN

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		5 GLY A 149
ALA A  16
PHE A 147
ASP A 146
ALA A 145
 None
 1.18A 3nvkF-1ufrA:
undetectable
3nvkJ-1ufrA:
undetectable		 3nvkF-1ufrA:
20.11
3nvkJ-1ufrA:
22.63
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.
1v4a GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		5 LYS A 300
GLY A 321
ALA A 320
ALA A 373
VAL A 428
 None
 1.06A 3nvkF-1v4aA:
0.9
3nvkJ-1v4aA:
undetectable		 3nvkF-1v4aA:
21.89
3nvkJ-1v4aA:
19.91
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.
1wdn GLUTAMINE BINDING
PROTEIN

(Escherichia
coli) 		PF00497
(SBP_bac_3) 		5 GLU A 145
ALA A 151
ALA A 124
ASP A 132
GLN A 135
 None
 1.15A 3nvkF-1wdnA:
undetectable
3nvkJ-1wdnA:
undetectable		 3nvkF-1wdnA:
19.67
3nvkJ-1wdnA:
23.02
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.
1ws6 METHYLTRANSFERASE

(Thermus
thermophilus) 		PF03602
(Cons_hypoth95) 		5 GLY A  65
ALA A  89
GLU A  84
PHE A  63
ALA A 131
 None
 1.19A 3nvkF-1ws6A:
undetectable
3nvkJ-1ws6A:
12.6		 3nvkF-1ws6A:
20.42
3nvkJ-1ws6A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xzn PYRR BIFUNCTIONAL
PROTEIN

([Bacillus]
caldolyticus) 		PF00156
(Pribosyltran) 		6 GLY A 150
ALA A  15
PHE A 148
ASP A 147
ALA A 146
VAL A 133
 None
 1.18A 3nvkF-1xznA:
undetectable
3nvkJ-1xznA:
undetectable		 3nvkF-1xznA:
21.64
3nvkJ-1xznA:
24.15
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.
1zzh CYTOCHROME C
PEROXIDASE

(Rhodobacter
capsulatus) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 GLU A 137
TYR A 135
ALA A 140
ALA A 158
ASP A  32
 None
 0.95A 3nvkF-1zzhA:
undetectable
3nvkJ-1zzhA:
undetectable		 3nvkF-1zzhA:
21.51
3nvkJ-1zzhA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		5 GLY A  62
ALA A  64
GLU A  85
ASP A 113
ALA A 114
 None
None
None
ZN  A 306 ( 4.7A)
None
 0.72A 3nvkF-2gpyA:
undetectable
3nvkJ-2gpyA:
14.0		 3nvkF-2gpyA:
24.85
3nvkJ-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) 		6 ALA A 170
GLU A 192
PHE A 193
ASP A 217
ALA A 218
GLN A 240
 MTA  A4001 (-3.6A)
MTA  A4001 (-2.7A)
MTA  A4001 (-3.5A)
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.0A)
 1.00A 3nvkF-2ipxA:
undetectable
3nvkJ-2ipxA:
31.0		 3nvkF-2ipxA:
23.24
3nvkJ-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 LYS A 144
GLY A 168
ALA A 169
GLU A 192
ASP A 217
ASP A 237
VAL A 238
GLN A 240
 None
MTA  A4001 (-3.3A)
None
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.1A)
MTA  A4001 (-4.0A)
 1.48A 3nvkF-2ipxA:
undetectable
3nvkJ-2ipxA:
31.0		 3nvkF-2ipxA:
23.24
3nvkJ-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) 		9 LYS A 144
GLY A 168
ALA A 170
GLU A 192
ASP A 217
ALA A 218
ASP A 237
VAL A 238
GLN A 240
 None
MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.1A)
MTA  A4001 (-4.0A)
 0.98A 3nvkF-2ipxA:
undetectable
3nvkJ-2ipxA:
31.0		 3nvkF-2ipxA:
23.24
3nvkJ-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.
2nym SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		5 TYR C 265
GLY C 247
ASP C  57
ALA C 240
VAL C 244
 None
None
MN  C 502 ( 3.2A)
None
None
 1.08A 3nvkF-2nymC:
undetectable
3nvkJ-2nymC:
undetectable		 3nvkF-2nymC:
22.45
3nvkJ-2nymC:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.76A 3nvkF-2pt6A:
undetectable
3nvkJ-2pt6A:
12.3		 3nvkF-2pt6A:
22.63
3nvkJ-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.
2q8n GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermotoga
maritima) 		PF00342
(PGI) 		5 TYR A 397
ALA A  83
ALA A 263
ASP A 273
VAL A 272
 None
 1.25A 3nvkF-2q8nA:
1.0
3nvkJ-2q8nA:
undetectable		 3nvkF-2q8nA:
24.59
3nvkJ-2q8nA:
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.
2yvl HYPOTHETICAL PROTEIN

(Aquifex
aeolicus) 		PF08704
(GCD14) 		5 GLY A  99
GLU A 120
ASP A 148
ASP A 165
VAL A 166
 SAM  A 601 (-3.2A)
SAM  A 601 (-2.7A)
SAM  A 601 (-3.1A)
SAM  A 601 (-3.4A)
SAM  A 601 ( 4.3A)
 0.78A 3nvkF-2yvlA:
undetectable
3nvkJ-2yvlA:
15.1		 3nvkF-2yvlA:
22.31
3nvkJ-2yvlA:
22.22
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.
2z7b MLR6791 PROTEIN

(Mesorhizobium
japonicum) 		PF00596
(Aldolase_II) 		5 GLU A  79
TYR A  75
ALA A 149
ASP A 147
VAL A 144
 None
 1.08A 3nvkF-2z7bA:
undetectable
3nvkJ-2z7bA:
undetectable		 3nvkF-2z7bA:
24.62
3nvkJ-2z7bA:
21.96
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 TYR A 191
GLY A 189
ALA A  70
ASP A 156
VAL A 157
 None
 1.23A 3nvkF-2zsuA:
undetectable
3nvkJ-2zsuA:
12.8		 3nvkF-2zsuA:
21.63
3nvkJ-2zsuA:
24.08
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.
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
 0.81A 3nvkF-3afeA:
2.3
3nvkJ-3afeA:
undetectable		 3nvkF-3afeA:
22.48
3nvkJ-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.
3cdk SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE SUBUNIT
B

(Bacillus
subtilis) 		PF01144
(CoA_trans) 		5 GLU B 109
GLY B 111
PHE B 178
ASP B 112
VAL B 107
 None
 1.14A 3nvkF-3cdkB:
undetectable
3nvkJ-3cdkB:
2.6		 3nvkF-3cdkB:
18.75
3nvkJ-3cdkB:
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.
3ehm SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 GLU A 367
GLY A 369
PHE A 374
ALA A 442
GLN A 438
 None
 1.12A 3nvkF-3ehmA:
1.9
3nvkJ-3ehmA:
undetectable		 3nvkF-3ehmA:
20.86
3nvkJ-3ehmA:
18.64
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.
3ehm SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 GLU A 367
TYR A 385
PHE A 374
ALA A 442
GLN A 438
 None
 1.22A 3nvkF-3ehmA:
1.9
3nvkJ-3ehmA:
undetectable		 3nvkF-3ehmA:
20.86
3nvkJ-3ehmA:
18.64
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.
3ezx MONOMETHYLAMINE
CORRINOID PROTEIN 1

(Methanosarcina
barkeri) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		5 GLU A 203
GLY A 184
ALA A 202
ALA A 154
VAL A 188
 None
HCB  A   1 (-3.6A)
HCB  A   1 ( 3.7A)
None
None
 1.16A 3nvkF-3ezxA:
2.6
3nvkJ-3ezxA:
3.0		 3nvkF-3ezxA:
21.60
3nvkJ-3ezxA:
22.92
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 6 GLY A  94
GLU A 117
ASP A 144
ALA A 145
ASP A 163
VAL A 164
 None
FMT  A 315 (-3.6A)
None
None
None
None
 0.98A 3nvkF-3gjyA:
undetectable
3nvkJ-3gjyA:
12.1		 3nvkF-3gjyA:
21.27
3nvkJ-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.
3gnq GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE, TYPE
I

(Burkholderia
pseudomallei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 GLY A  64
ASP A  39
ALA A  40
ASP A  63
VAL A  62
 None
 1.16A 3nvkF-3gnqA:
undetectable
3nvkJ-3gnqA:
4.9		 3nvkF-3gnqA:
23.40
3nvkJ-3gnqA:
23.36
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.
3h7a SHORT CHAIN
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00106
(adh_short) 		5 GLY A  12
ALA A  13
ASP A  62
ALA A  63
VAL A  89
 GLY  A  12 ( 0.0A)
ALA  A  13 ( 0.0A)
ASP  A  62 ( 0.6A)
ALA  A  63 ( 0.0A)
VAL  A  89 ( 0.6A)
 1.18A 3nvkF-3h7aA:
undetectable
3nvkJ-3h7aA:
8.0		 3nvkF-3h7aA:
23.30
3nvkJ-3h7aA:
22.22
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.
3hgl EFFECTOR PROTEIN
HOPAB2

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 GLU A  16
ALA A  18
ALA A  75
VAL A  10
GLN A  11
 None
 0.97A 3nvkF-3hglA:
undetectable
3nvkJ-3hglA:
undetectable		 3nvkF-3hglA:
14.04
3nvkJ-3hglA:
16.06
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.
3ke3 PUTATIVE
SERINE-PYRUVATE
AMINOTRANSFERASE

(Psychrobacter
arcticus) 		PF00266
(Aminotran_5) 		5 GLU A 304
GLY A 148
ALA A 299
ALA A 176
VAL A 308
 None
None
None
LLP  A 198 ( 3.3A)
None
 1.07A 3nvkF-3ke3A:
undetectable
3nvkJ-3ke3A:
2.6		 3nvkF-3ke3A:
23.23
3nvkJ-3ke3A:
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.
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
 1.21A 3nvkF-3oacB:
2.3
3nvkJ-3oacB:
undetectable		 3nvkF-3oacB:
22.60
3nvkJ-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 GLU A 404
GLY A 406
PHE A 411
ALA A 459
GLN A 455
 None
 0.97A 3nvkF-3p1uA:
1.6
3nvkJ-3p1uA:
undetectable		 3nvkF-3p1uA:
20.40
3nvkJ-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 GLU A 404
TYR A 423
PHE A 411
ALA A 459
GLN A 455
 None
 1.08A 3nvkF-3p1uA:
1.6
3nvkJ-3p1uA:
undetectable		 3nvkF-3p1uA:
20.40
3nvkJ-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.
3pz2 GERANYLGERANYL
TRANSFERASE TYPE-2
SUBUNIT BETA

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 GLY B 294
ALA B 296
PHE B 289
ASP B 287
VAL B 239
 None
None
3PZ  B 333 (-4.0A)
3PZ  B 333 (-3.6A)
None
 1.23A 3nvkF-3pz2B:
undetectable
3nvkJ-3pz2B:
undetectable		 3nvkF-3pz2B:
22.25
3nvkJ-3pz2B:
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.
3qy9 DIHYDRODIPICOLINATE
REDUCTASE

(Staphylococcus
aureus) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 GLU A  20
ALA A  16
ASP A  53
ALA A  52
VAL A  27
 None
 1.15A 3nvkF-3qy9A:
undetectable
3nvkJ-3qy9A:
3.2		 3nvkF-3qy9A:
22.34
3nvkJ-3qy9A:
21.64
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.
3sgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 GLU A 367
GLY A 369
PHE A 374
ALA A 439
GLN A 435
 None
 1.07A 3nvkF-3sghA:
undetectable
3nvkJ-3sghA:
undetectable		 3nvkF-3sghA:
20.31
3nvkJ-3sghA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tmg GLYCINE BETAINE,
L-PROLINE ABC
TRANSPORTER,
GLYCINE/BETAINE/L-PR
OLINE-BINDING
PROTEIN (PROX)

(Borreliella
burgdorferi) 		PF04069
(OpuAC) 		5 GLY A 145
ALA A 144
PHE A  89
VAL A 149
GLN A 152
 BET  A 310 (-3.7A)
BET  A 310 ( 4.0A)
None
None
None
 1.19A 3nvkF-3tmgA:
undetectable
3nvkJ-3tmgA:
undetectable		 3nvkF-3tmgA:
21.58
3nvkJ-3tmgA:
23.23
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.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		5 TYR A 272
GLY A 254
ALA A 279
ASP A  64
VAL A 251
 None
None
None
MN  A 402 (-3.0A)
None
 0.91A 3nvkF-3v4yA:
undetectable
3nvkJ-3v4yA:
undetectable		 3nvkF-3v4yA:
22.51
3nvkJ-3v4yA:
21.38
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.
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)
 0.92A 3nvkF-3vywA:
undetectable
3nvkJ-3vywA:
10.1		 3nvkF-3vywA:
22.16
3nvkJ-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
 1.14A 3nvkF-3w3aA:
undetectable
3nvkJ-3w3aA:
undetectable		 3nvkF-3w3aA:
22.18
3nvkJ-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.
4bko PUTATIVE REDUCTASE
BURPS305_1051

(Burkholderia
pseudomallei) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 GLY A  48
PHE A  74
ASP A 111
ALA A 112
VAL A 139
 None
GOL  A1400 (-4.5A)
GOL  A1400 (-3.6A)
GOL  A1400 (-3.4A)
GOL  A1400 ( 4.7A)
 0.92A 3nvkF-4bkoA:
undetectable
3nvkJ-4bkoA:
7.4		 3nvkF-4bkoA:
24.89
3nvkJ-4bkoA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4boc DNA-DIRECTED RNA
POLYMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		5 LYS A 853
GLY A 958
ALA A 960
ASP A 954
VAL A 955
 None
 1.21A 3nvkF-4bocA:
2.0
3nvkJ-4bocA:
undetectable		 3nvkF-4bocA:
17.55
3nvkJ-4bocA:
11.75
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.
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
 1.15A 3nvkF-4bq4A:
undetectable
3nvkJ-4bq4A:
undetectable		 3nvkF-4bq4A:
19.24
3nvkJ-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.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		6 GLY E  81
ALA E  83
ASP E 130
ALA E 131
VAL E 151
GLN E 153
 None
C  X   5 ( 2.4A)
None
None
None
G  A  24 ( 3.0A)
 0.93A 3nvkF-4by9E:
undetectable
3nvkJ-4by9E:
34.5		 3nvkF-4by9E:
22.96
3nvkJ-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) 		5 GLY E  81
ALA E  83
GLU E 105
ASP E 130
GLN E 153
 None
C  X   5 ( 2.4A)
None
None
G  A  24 ( 3.0A)
 0.86A 3nvkF-4by9E:
undetectable
3nvkJ-4by9E:
34.5		 3nvkF-4by9E:
22.96
3nvkJ-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) 		5 GLY E  81
ALA E  83
GLU E 105
PHE E 106
ASP E 130
 None
C  X   5 ( 2.4A)
None
None
None
 0.73A 3nvkF-4by9E:
undetectable
3nvkJ-4by9E:
34.5		 3nvkF-4by9E:
22.96
3nvkJ-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) 		5 GLY E  81
ALA E  83
PHE E 106
ASP E 130
ALA E 131
 None
C  X   5 ( 2.4A)
None
None
None
 0.79A 3nvkF-4by9E:
undetectable
3nvkJ-4by9E:
34.5		 3nvkF-4by9E:
22.96
3nvkJ-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) 		6 GLY E  81
ASP E 130
ALA E 131
ASP E 150
VAL E 151
GLN E 153
 None
None
None
C  X   5 ( 3.2A)
None
G  A  24 ( 3.0A)
 1.13A 3nvkF-4by9E:
undetectable
3nvkJ-4by9E:
34.5		 3nvkF-4by9E:
22.96
3nvkJ-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) 		5 GLY E  81
GLU E 105
ASP E 130
ASP E 150
GLN E 153
 None
None
None
C  X   5 ( 3.2A)
G  A  24 ( 3.0A)
 0.99A 3nvkF-4by9E:
undetectable
3nvkJ-4by9E:
34.5		 3nvkF-4by9E:
22.96
3nvkJ-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) 		5 GLY E  81
GLU E 105
PHE E 106
ASP E 130
ASP E 150
 None
None
None
None
C  X   5 ( 3.2A)
 0.78A 3nvkF-4by9E:
undetectable
3nvkJ-4by9E:
34.5		 3nvkF-4by9E:
22.96
3nvkJ-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) 		5 GLY E  81
PHE E 106
ASP E 130
ALA E 131
ASP E 150
 None
None
None
None
C  X   5 ( 3.2A)
 0.81A 3nvkF-4by9E:
undetectable
3nvkJ-4by9E:
34.5		 3nvkF-4by9E:
22.96
3nvkJ-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.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 GLY A  95
ALA A  97
ASP A 305
ALA A 306
VAL A  87
 None
None
HEM  A1418 (-2.7A)
None
None
 1.21A 3nvkF-4c9mA:
undetectable
3nvkJ-4c9mA:
undetectable		 3nvkF-4c9mA:
22.12
3nvkJ-4c9mA:
21.71
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.
4ce4 MRPL18

(Sus scrofa) 		PF00861
(Ribosomal_L18p) 		5 GLU S 126
GLY S 129
ALA S 164
ALA S  92
VAL S 128
 None
 1.12A 3nvkF-4ce4S:
4.1
3nvkJ-4ce4S:
undetectable		 3nvkF-4ce4S:
19.61
3nvkJ-4ce4S:
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.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		6 ALA A  87
GLU A 109
PHE A 110
ASP A 134
ALA A 135
GLN A 157
 SAM  A 301 (-3.4A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.8A)
 1.03A 3nvkF-4df3A:
undetectable
3nvkJ-4df3A:
32.4		 3nvkF-4df3A:
22.53
3nvkJ-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.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		8 GLY A  85
ALA A  87
GLU A 109
ASP A 134
ALA A 135
ASP A 154
VAL A 155
GLN A 157
 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 (-4.3A)
SAM  A 301 (-3.8A)
 0.69A 3nvkF-4df3A:
undetectable
3nvkJ-4df3A:
32.4		 3nvkF-4df3A:
22.53
3nvkJ-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.
4ew6 D-GALACTOSE-1-DEHYDR
OGENASE PROTEIN

(Rhizobium etli) 		PF01408
(GFO_IDH_MocA) 		5 GLU A 196
ALA A 305
PHE A 194
ALA A 203
VAL A 303
 None
 1.23A 3nvkF-4ew6A:
undetectable
3nvkJ-4ew6A:
5.6		 3nvkF-4ew6A:
23.72
3nvkJ-4ew6A:
23.71
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.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		5 GLU A 387
GLY A 389
PHE A 394
ALA A 456
GLN A 452
 None
 1.10A 3nvkF-4f7aA:
undetectable
3nvkJ-4f7aA:
undetectable		 3nvkF-4f7aA:
21.91
3nvkJ-4f7aA:
17.06
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.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		5 GLU A 387
TYR A 405
PHE A 394
ALA A 456
GLN A 452
 None
 1.16A 3nvkF-4f7aA:
undetectable
3nvkJ-4f7aA:
undetectable		 3nvkF-4f7aA:
21.91
3nvkJ-4f7aA:
17.06
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.
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
 1.03A 3nvkF-4fgvA:
undetectable
3nvkJ-4fgvA:
undetectable		 3nvkF-4fgvA:
17.48
3nvkJ-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.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 GLU A 244
GLY A 175
GLU A 176
ALA A  99
VAL A  64
 None
 1.14A 3nvkF-4hdsA:
undetectable
3nvkJ-4hdsA:
undetectable		 3nvkF-4hdsA:
23.81
3nvkJ-4hdsA:
22.06
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.
4hw6 HYPOTHETICAL
PROTEIN, IPT/TIG
DOMAIN PROTEIN

(Bacteroides
ovatus) 		PF01833
(TIG) 		5 GLU A 464
TYR A 141
ALA A 412
ASP A 424
VAL A 143
 None
 1.20A 3nvkF-4hw6A:
undetectable
3nvkJ-4hw6A:
undetectable		 3nvkF-4hw6A:
21.89
3nvkJ-4hw6A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hw6 HYPOTHETICAL
PROTEIN, IPT/TIG
DOMAIN PROTEIN

(Bacteroides
ovatus) 		PF01833
(TIG) 		5 TYR A 141
GLY A 425
ALA A 412
ASP A 424
VAL A 143
 None
 1.17A 3nvkF-4hw6A:
undetectable
3nvkJ-4hw6A:
undetectable		 3nvkF-4hw6A:
21.89
3nvkJ-4hw6A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		5 GLY A 495
ALA A 497
ASP A 522
ALA A 523
ASP A 510
 None
 1.25A 3nvkF-4j8fA:
3.0
3nvkJ-4j8fA:
undetectable		 3nvkF-4j8fA:
23.28
3nvkJ-4j8fA:
17.87
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.
4mru SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 GLU A 376
GLY A 378
PHE A 383
ALA A 445
GLN A 441
 MG  A 601 ( 4.7A)
None
None
None
None
 1.09A 3nvkF-4mruA:
undetectable
3nvkJ-4mruA:
undetectable		 3nvkF-4mruA:
21.57
3nvkJ-4mruA:
15.91
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.
4mru SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 GLU A 376
TYR A 394
PHE A 383
ALA A 445
GLN A 441
 MG  A 601 ( 4.7A)
None
None
None
None
 1.17A 3nvkF-4mruA:
undetectable
3nvkJ-4mruA:
undetectable		 3nvkF-4mruA:
21.57
3nvkJ-4mruA:
15.91
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.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		5 GLY A 288
ALA A 163
PHE A 279
ALA A 276
ASP A 289
 None
 1.16A 3nvkF-4n9xA:
undetectable
3nvkJ-4n9xA:
4.0		 3nvkF-4n9xA:
23.22
3nvkJ-4n9xA:
19.12
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.
4nen INTEGRIN ALPHA-X

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 TYR A 464
GLY A 503
ALA A 524
VAL A 473
GLN A 472
 None
 1.26A 3nvkF-4nenA:
undetectable
3nvkJ-4nenA:
undetectable		 3nvkF-4nenA:
16.25
3nvkJ-4nenA:
12.31
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.
4puc SUSD HOMOLOG

(Bacteroides
uniformis) 		PF12741
(SusD-like) 		5 GLU A 380
GLY A 382
PHE A 387
ALA A 449
GLN A 445
 ACT  A 604 (-3.7A)
None
None
None
None
 1.07A 3nvkF-4pucA:
undetectable
3nvkJ-4pucA:
undetectable		 3nvkF-4pucA:
23.26
3nvkJ-4pucA:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		5 GLY A 937
ALA A 880
ALA A 625
VAL A 940
GLN A 943
 None
 0.90A 3nvkF-4ra7A:
undetectable
3nvkJ-4ra7A:
undetectable		 3nvkF-4ra7A:
19.96
3nvkJ-4ra7A:
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.
4ry0 PROBABLE RIBOSE ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF13407
(Peripla_BP_4) 		5 GLU A 160
GLY A  93
ASP A  68
ALA A  69
ASP A  95
 None
CL  A 402 (-3.5A)
None
None
None
 0.87A 3nvkF-4ry0A:
undetectable
3nvkJ-4ry0A:
4.0		 3nvkF-4ry0A:
21.11
3nvkJ-4ry0A:
23.23
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.
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)
 0.81A 3nvkF-4uoeA:
undetectable
3nvkJ-4uoeA:
11.9		 3nvkF-4uoeA:
22.06
3nvkJ-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.
5bu9 BETA-N-ACETYLHEXOSAM
INIDASE

(Beutenbergia
cavernae) 		PF00933
(Glyco_hydro_3) 		5 GLU A 135
GLY A 138
ALA A 136
ASP A  72
ALA A  71
 None
 1.26A 3nvkF-5bu9A:
undetectable
3nvkJ-5bu9A:
undetectable		 3nvkF-5bu9A:
21.86
3nvkJ-5bu9A:
19.30
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.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		5 GLU A 111
LYS A  61
GLY A  81
ASP A 131
ASP A 146
 SAM  A 301 ( 3.4A)
None
SAM  A 301 (-3.3A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.8A)
 1.20A 3nvkF-5e9qA:
undetectable
3nvkJ-5e9qA:
10.4		 3nvkF-5e9qA:
19.84
3nvkJ-5e9qA:
22.07
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.
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)
 1.26A 3nvkF-5ep8A:
undetectable
3nvkJ-5ep8A:
undetectable		 3nvkF-5ep8A:
23.03
3nvkJ-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.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		5 GLY B 118
GLU B 139
PHE B 140
ASP B 168
ASP B 203
 SAM  B 401 (-3.4A)
SAM  B 401 (-2.9A)
SAM  B 401 (-4.8A)
SAM  B 401 (-3.5A)
SAM  B 401 (-3.3A)
 0.75A 3nvkF-5ergB:
undetectable
3nvkJ-5ergB:
14.7		 3nvkF-5ergB:
22.63
3nvkJ-5ergB:
20.92
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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		5 GLU A 119
GLY A 117
PHE A 114
ALA A  60
ASP A 258
 None
 1.00A 3nvkF-5f7uA:
undetectable
3nvkJ-5f7uA:
undetectable		 3nvkF-5f7uA:
17.74
3nvkJ-5f7uA:
12.74
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.
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
 1.21A 3nvkF-5fn4A:
undetectable
3nvkJ-5fn4A:
undetectable		 3nvkF-5fn4A:
20.95
3nvkJ-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.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		6 ALA E  86
GLU E 108
PHE E 109
ASP E 133
ALA E 134
GLN E 156
 SAH  E 301 ( 3.7A)
SAH  E 301 (-3.0A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.5A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.8A)
 0.88A 3nvkF-5ginE:
undetectable
3nvkJ-5ginE:
36.0		 3nvkF-5ginE:
22.46
3nvkJ-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) 		7 GLY E  84
ALA E  86
GLU E 108
ASP E 133
ALA E 134
ASP E 153
GLN E 156
 SAH  E 301 (-3.8A)
SAH  E 301 ( 3.7A)
SAH  E 301 (-3.0A)
SAH  E 301 (-3.5A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.7A)
SAH  E 301 (-3.8A)
 0.61A 3nvkF-5ginE:
undetectable
3nvkJ-5ginE:
36.0		 3nvkF-5ginE:
22.46
3nvkJ-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) 		7 LYS E  60
GLY E  84
ALA E  86
GLU E 108
ASP E 133
ALA E 134
GLN E 156
 U  I   4 ( 3.9A)
SAH  E 301 (-3.8A)
SAH  E 301 ( 3.7A)
SAH  E 301 (-3.0A)
SAH  E 301 (-3.5A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.8A)
 0.73A 3nvkF-5ginE:
undetectable
3nvkJ-5ginE:
36.0		 3nvkF-5ginE:
22.46
3nvkJ-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.
5j90 RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12741
(SusD-like) 		5 GLU A 376
GLY A 378
PHE A 383
ALA A 445
GLN A 441
 None
 1.06A 3nvkF-5j90A:
0.8
3nvkJ-5j90A:
undetectable		 3nvkF-5j90A:
23.68
3nvkJ-5j90A:
19.41
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.
5j90 RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12741
(SusD-like) 		5 GLU A 376
TYR A 394
PHE A 383
ALA A 445
GLN A 441
 None
 1.16A 3nvkF-5j90A:
0.8
3nvkJ-5j90A:
undetectable		 3nvkF-5j90A:
23.68
3nvkJ-5j90A:
19.41
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.
5tqj RESPONSE REGULATOR
RECEIVER PROTEIN

(Paraburkholderia
phymatum) 		PF00072
(Response_reg) 		5 GLY A  18
ALA A  15
ALA A  32
ASP A  12
VAL A  10
 EDO  A 204 ( 4.4A)
EDO  A 204 (-3.5A)
None
None
None
 1.25A 3nvkF-5tqjA:
undetectable
3nvkJ-5tqjA:
4.2		 3nvkF-5tqjA:
18.35
3nvkJ-5tqjA:
25.00
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.
5tuj ANCESTRAL PROTEIN
CDT-ANC1

(unidentified) 		no annotation 5 GLU C 169
LYS C 116
ALA C 166
ALA C 148
VAL C 136
 None
 1.24A 3nvkF-5tujC:
undetectable
3nvkJ-5tujC:
undetectable		 3nvkF-5tujC:
undetectable
3nvkJ-5tujC:
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 5 ALA A 415
GLU A 421
ALA A 453
ASP A 443
VAL A 442
 None
None
None
C2F  A3001 (-2.5A)
None
 1.19A 3nvkF-5vopA:
undetectable
3nvkJ-5vopA:
undetectable		 3nvkF-5vopA:
undetectable
3nvkJ-5vopA:
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLU A 449
GLY A 406
PHE A 411
ASP A 412
ALA A 413
 None
None
ACT  A 612 (-4.0A)
None
None
 1.18A 3nvkF-5vpuA:
undetectable
3nvkJ-5vpuA:
4.0		 3nvkF-5vpuA:
22.97
3nvkJ-5vpuA:
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.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		5 GLY A 501
GLU A 524
ASP A 551
ASP A 575
VAL A 576
 SAH  A 705 (-3.5A)
SAH  A 705 (-2.7A)
SAH  A 705 (-3.4A)
SAH  A 705 (-3.6A)
SAH  A 705 (-4.1A)
 0.70A 3nvkF-5wcjA:
undetectable
3nvkJ-5wcjA:
14.8		 3nvkF-5wcjA:
23.82
3nvkJ-5wcjA:
23.77
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.
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
 1.20A 3nvkF-5xyiQ:
undetectable
3nvkJ-5xyiQ:
undetectable		 3nvkF-5xyiQ:
16.49
3nvkJ-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.
5yim SDEA

(Legionella
pneumophila) 		no annotation 5 GLU A 388
ALA A 384
PHE A 333
ALA A 335
ASP A 356
 None
 1.07A 3nvkF-5yimA:
3.0
3nvkJ-5yimA:
undetectable		 3nvkF-5yimA:
undetectable
3nvkJ-5yimA:
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.
5yrz HICB

(Streptococcus
pneumoniae) 		no annotation 5 GLU A  40
TYR A  21
GLY A  45
ALA A  43
ALA A   7
 None
 1.11A 3nvkF-5yrzA:
undetectable
3nvkJ-5yrzA:
undetectable		 3nvkF-5yrzA:
undetectable
3nvkJ-5yrzA:
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.
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)
 0.74A 3nvkF-5zw4A:
undetectable
3nvkJ-5zw4A:
15.3		 3nvkF-5zw4A:
23.48
3nvkJ-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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 GLY A 209
PHE A 211
ALA A  92
ASP A 173
VAL A 174
 None
 1.19A 3nvkF-6bq6A:
undetectable
3nvkJ-6bq6A:
11.8		 3nvkF-6bq6A:
undetectable
3nvkJ-6bq6A:
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.
6cao -

(-) 		no annotation 5 TYR K  59
GLY K  90
ALA K  89
ALA K  65
GLN K  62
 None
 1.22A 3nvkF-6caoK:
3.7
3nvkJ-6caoK:
undetectable		 3nvkF-6caoK:
14.67
3nvkJ-6caoK:
19.75
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 5 GLY B 540
ALA B 100
ASP B 471
ASP B 539
VAL B 536
 None
 0.93A 3nvkF-6f0kB:
undetectable
3nvkJ-6f0kB:
undetectable		 3nvkF-6f0kB:
undetectable
3nvkJ-6f0kB:
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.
6g0c UBIQUITINATING/DEUBI
QUITINATING ENZYME
SDEA

(Legionella
pneumophila) 		no annotation 5 GLU A 388
ALA A 384
PHE A 333
ALA A 335
ASP A 356
 None
 1.23A 3nvkF-6g0cA:
undetectable
3nvkJ-6g0cA:
undetectable		 3nvkF-6g0cA:
undetectable
3nvkJ-6g0cA:
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.
6gy5 -

(-) 		no annotation 5 TYR A 510
GLY A 501
ALA A 454
ALA A 558
VAL A 512
 None
 1.24A 3nvkF-6gy5A:
undetectable
3nvkJ-6gy5A:
undetectable		 3nvkF-6gy5A:
undetectable
3nvkJ-6gy5A:
undetectable