SIMILAR PATTERNS OF AMINO ACIDS FOR 3NK7_A_SAMA770_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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		5 LEU A 252
GLY A 129
GLY A 293
ILE A 114
SER A 109
 None
 1.00A 3nk7A-1c3rA:
undetectable		 3nk7A-1c3rA:
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.
1dhs DEOXYHYPUSINE
SYNTHASE

(Homo sapiens) 		PF01916
(DS) 		5 GLY A  60
GLU A  47
GLY A  50
ASN A  67
VAL A  63
 None
 0.98A 3nk7A-1dhsA:
2.4		 3nk7A-1dhsA:
21.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		7 ASN A 108
GLY A 196
GLY A 201
ILE A 216
MET A 218
ASN A 226
VAL A 227
 None
 0.80A 3nk7A-1gz0A:
21.9		 3nk7A-1gz0A:
30.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		6 ASN A 108
GLY A 196
GLY A 201
ILE A 233
ASN A 226
VAL A 227
 None
 1.16A 3nk7A-1gz0A:
21.9		 3nk7A-1gz0A:
30.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		6 ASN A 108
GLY A 199
ILE A 216
MET A 218
SER A 224
VAL A 227
 None
 1.04A 3nk7A-1gz0A:
21.9		 3nk7A-1gz0A:
30.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		7 ASN A 108
GLY A 201
ILE A 216
MET A 218
SER A 224
ASN A 226
VAL A 227
 None
 1.05A 3nk7A-1gz0A:
21.9		 3nk7A-1gz0A:
30.31
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.
1hkh GAMMA LACTAMASE

(Microbacterium) 		PF00561
(Abhydrolase_1) 		5 LEU A  15
THR A   4
GLY A   1
ILE A  13
SER A  65
 None
 1.03A 3nk7A-1hkhA:
2.4		 3nk7A-1hkhA:
21.94
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.
1ipa RNA 2'-O-RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		8 ASN A 129
GLY A 215
ILE A 235
MET A 237
SER A 243
ASN A 245
VAL A 246
SER A 249
 None
 0.76A 3nk7A-1ipaA:
24.2		 3nk7A-1ipaA:
28.81
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.
1ipa RNA 2'-O-RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		8 GLY A 215
GLY A 220
ILE A 235
MET A 237
SER A 243
ASN A 245
VAL A 246
SER A 249
 None
 1.03A 3nk7A-1ipaA:
24.2		 3nk7A-1ipaA:
28.81
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.
1j85 YIBK

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		9 ASN A  14
LEU A  78
GLY A 100
GLY A 105
ILE A 122
MET A 124
SER A 130
ASN A 132
SER A 136
 None
 1.00A 3nk7A-1j85A:
17.0		 3nk7A-1j85A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j85 YIBK

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		8 ASN A  14
THR A  80
GLY A 100
ILE A 122
MET A 124
SER A 130
ASN A 132
SER A 136
 None
 0.80A 3nk7A-1j85A:
17.0		 3nk7A-1j85A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j85 YIBK

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		7 GLY A 100
GLU A 102
GLY A 105
ILE A 122
MET A 124
SER A 130
ASN A 132
 None
 1.41A 3nk7A-1j85A:
17.0		 3nk7A-1j85A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j85 YIBK

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		7 THR A  80
GLY A 100
GLU A 102
ILE A 122
MET A 124
SER A 130
ASN A 132
 None
 1.28A 3nk7A-1j85A:
17.0		 3nk7A-1j85A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		5 GLY A 267
GLY A 276
SER A 331
ASN A 217
VAL A 218
 None
None
None
AEP  A 683 (-3.6A)
None
 1.09A 3nk7A-1lfwA:
undetectable		 3nk7A-1lfwA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mw7 HYPOTHETICAL PROTEIN
HP0162

(Helicobacter
pylori) 		PF01709
(Transcrip_reg) 		5 LEU A  92
THR A 237
GLY A  85
ILE A 209
ASN A  88
 None
 1.08A 3nk7A-1mw7A:
undetectable		 3nk7A-1mw7A:
20.41
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.
1tt7 YHFP

(Bacillus
subtilis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASN A 172
LEU A 155
GLY A 152
ILE A 200
VAL A 178
 None
 1.09A 3nk7A-1tt7A:
2.5		 3nk7A-1tt7A:
25.50
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.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		7 ASN A  35
GLY A 122
GLY A 127
ILE A 142
MET A 144
ASN A 152
VAL A 153
 PO4  A 201 (-3.4A)
SAM  A 400 (-3.2A)
SAM  A 400 (-3.8A)
SAM  A 400 (-3.6A)
SAM  A 400 (-3.3A)
PO4  A 201 (-3.8A)
SAM  A 400 (-3.9A)
 0.55A 3nk7A-1v2xA:
18.8		 3nk7A-1v2xA:
23.49
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.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		6 ASN A  35
GLY A 122
GLY A 127
ILE A 160
ASN A 152
VAL A 153
 PO4  A 201 (-3.4A)
SAM  A 400 (-3.2A)
SAM  A 400 (-3.8A)
None
PO4  A 201 (-3.8A)
SAM  A 400 (-3.9A)
 1.30A 3nk7A-1v2xA:
18.8		 3nk7A-1v2xA:
23.49
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.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		7 ASN A  35
GLY A 122
ILE A 142
MET A 144
SER A 150
ASN A 152
VAL A 153
 PO4  A 201 (-3.4A)
SAM  A 400 (-3.2A)
SAM  A 400 (-3.6A)
SAM  A 400 (-3.3A)
SAM  A 400 ( 3.7A)
PO4  A 201 (-3.8A)
SAM  A 400 (-3.9A)
 0.49A 3nk7A-1v2xA:
18.8		 3nk7A-1v2xA:
23.49
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.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		5 GLU A 124
ILE A 142
MET A 144
SER A 150
ASN A 152
 PO4  A 201 ( 4.6A)
SAM  A 400 (-3.6A)
SAM  A 400 (-3.3A)
SAM  A 400 ( 3.7A)
PO4  A 201 (-3.8A)
 1.05A 3nk7A-1v2xA:
18.8		 3nk7A-1v2xA:
23.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x7p RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00588
(SpoU_methylase) 		7 ASN A 139
GLY A 232
GLY A 237
ILE A 252
MET A 254
SER A 260
ASN A 262
 None
SAM  A 301 (-3.2A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.0A)
SAM  A 301 (-3.1A)
SAM  A 301 ( 3.7A)
None
 0.87A 3nk7A-1x7pA:
24.1		 3nk7A-1x7pA:
30.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		6 ASN A  38
GLY A 126
GLY A 131
MET A 148
ASN A 156
VAL A 157
 None
GOL  A 529 (-4.0A)
GOL  A 530 (-3.7A)
None
None
GOL  A 529 (-3.7A)
 0.90A 3nk7A-1zjrA:
17.2		 3nk7A-1zjrA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		7 ASN A  38
GLY A 126
ILE A 146
MET A 148
SER A 154
ASN A 156
VAL A 157
 None
GOL  A 529 (-4.0A)
None
None
GOL  A 529 (-3.5A)
None
GOL  A 529 (-3.7A)
 0.65A 3nk7A-1zjrA:
17.2		 3nk7A-1zjrA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		5 GLY A 126
GLY A 131
ILE A 163
ASN A 156
VAL A 157
 GOL  A 529 (-4.0A)
GOL  A 530 (-3.7A)
None
None
GOL  A 529 (-3.7A)
 1.02A 3nk7A-1zjrA:
17.2		 3nk7A-1zjrA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		5 LEU A 155
THR A 161
GLY A 131
ILE A 163
VAL A 145
 None
None
GOL  A 530 (-3.7A)
None
None
 1.05A 3nk7A-1zjrA:
17.2		 3nk7A-1zjrA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 ASN A 306
THR A 451
GLY A 401
GLY A 400
SER A 406
 COA  A2600 ( 4.8A)
None
COA  A2600 ( 4.5A)
COA  A2600 ( 4.5A)
None
 1.02A 3nk7A-2ahwA:
undetectable		 3nk7A-2ahwA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 THR A 489
GLY A 297
GLY A 296
ASN A 305
VAL A 301
 None
 0.87A 3nk7A-2e0wA:
undetectable		 3nk7A-2e0wA:
19.60
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.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE
GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli;
Escherichia
coli) 		PF01019
(G_glu_transpept)
PF01019
(G_glu_transpept) 		5 THR B 489
GLY A 297
GLY A 296
ASN A 305
VAL A 301
 None
 0.84A 3nk7A-2e0xB:
undetectable		 3nk7A-2e0xB:
24.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ej9 PUTATIVE BIOTIN
LIGASE

(Methanocaldococcus
jannaschii) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		6 LEU A 107
GLY A 124
ILE A 140
ASN A 128
VAL A 127
SER A 141
 None
BTN  A1301 (-3.6A)
None
None
None
None
 1.49A 3nk7A-2ej9A:
undetectable		 3nk7A-2ej9A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ha8 TAR (HIV-1) RNA LOOP
BINDING PROTEIN

(Homo sapiens) 		PF00588
(SpoU_methylase) 		8 ASN A  39
GLY A 129
GLY A 134
ILE A 149
SER A 157
ASN A 159
VAL A 160
SER A 163
 None
SAH  A 401 (-3.1A)
SAH  A 401 (-3.2A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.8A)
None
SAH  A 401 (-3.6A)
SAH  A 401 (-3.0A)
 0.39A 3nk7A-2ha8A:
18.8		 3nk7A-2ha8A:
23.47
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.
2ha8 TAR (HIV-1) RNA LOOP
BINDING PROTEIN

(Homo sapiens) 		PF00588
(SpoU_methylase) 		6 ASN A  39
LEU A 167
ILE A 149
ASN A 159
VAL A 160
SER A 163
 None
None
SAH  A 401 (-3.8A)
None
SAH  A 401 (-3.6A)
SAH  A 401 (-3.0A)
 1.38A 3nk7A-2ha8A:
18.8		 3nk7A-2ha8A:
23.47
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.
2ha8 TAR (HIV-1) RNA LOOP
BINDING PROTEIN

(Homo sapiens) 		PF00588
(SpoU_methylase) 		7 GLY A 129
GLU A 131
GLY A 134
ILE A 149
SER A 157
ASN A 159
SER A 163
 SAH  A 401 (-3.1A)
None
SAH  A 401 (-3.2A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.8A)
None
SAH  A 401 (-3.0A)
 1.07A 3nk7A-2ha8A:
18.8		 3nk7A-2ha8A:
23.47
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.
2i6d RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Porphyromonas
gingivalis) 		PF00588
(SpoU_methylase) 		6 ASN A 113
GLY A 203
GLY A 208
ILE A 223
ASN A 238
VAL A 239
 ACY  A 301 (-4.0A)
None
None
None
None
None
 0.44A 3nk7A-2i6dA:
22.0		 3nk7A-2i6dA:
28.34
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.
2id5 LEUCINE RICH REPEAT
NEURONAL 6A

(Homo sapiens) 		PF07679
(I-set)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 255
GLY A 282
GLY A 281
ILE A 231
ASN A 235
 None
None
None
None
NAG  A 486 (-1.8A)
 0.93A 3nk7A-2id5A:
undetectable		 3nk7A-2id5A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iq7 ENDOPOLYGALACTURONAS
E

(Colletotrichum
lupini) 		PF00295
(Glyco_hydro_28) 		5 LEU A  46
THR A  69
GLY A  48
GLY A  72
ILE A  44
 None
 1.00A 3nk7A-2iq7A:
undetectable		 3nk7A-2iq7A:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jet CHYMOTRYPSINOGEN B
CHAIN B
CHYMOTRYPSINOGEN B
CHAIN C

(Rattus
norvegicus;
Rattus
norvegicus) 		PF00089
(Trypsin)
PF00089
(Trypsin) 		5 THR B 104
GLY C 197
GLY B  43
VAL C 213
SER C 229
 None
 1.04A 3nk7A-2jetB:
undetectable		 3nk7A-2jetB:
18.25
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.
2pod MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME

(Burkholderia
pseudomallei) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 353
ILE A 370
ASN A 119
VAL A 347
SER A 346
 None
 1.10A 3nk7A-2podA:
undetectable		 3nk7A-2podA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wvl MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Thermus
thermophilus) 		PF09488
(Osmo_MPGsynth) 		5 ASN A 170
GLU A 251
GLY A 164
MET A   1
VAL A 176
 None
ZN  A1393 (-2.4A)
None
None
None
 0.89A 3nk7A-2wvlA:
undetectable		 3nk7A-2wvlA:
23.80
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.
2zu8 MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Pyrococcus
horikoshii) 		PF09488
(Osmo_MPGsynth) 		5 ASN A 171
GLU A 251
GLY A 165
MET A   1
VAL A 177
 None
 1.03A 3nk7A-2zu8A:
2.1		 3nk7A-2zu8A:
19.71
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.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		6 ASN A 114
LEU A  91
GLU A  65
GLY A  68
ILE A  42
VAL A  61
 None
None
CA  A 401 (-2.0A)
None
None
None
 1.31A 3nk7A-3cdxA:
undetectable		 3nk7A-3cdxA:
24.36
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.
3clq UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF06545
(DUF1116) 		5 THR A 365
GLY A 370
GLY A 369
ASN A 456
VAL A 435
 None
 1.03A 3nk7A-3clqA:
undetectable		 3nk7A-3clqA:
22.56
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.
3e5y TRMH FAMILY RNA
METHYLTRANSFERASE

(Burkholderia
pseudomallei) 		PF00588
(SpoU_methylase) 		5 ASN A  14
GLY A 102
GLY A 107
MET A 126
ASN A 134
 None
 0.69A 3nk7A-3e5yA:
15.9		 3nk7A-3e5yA:
23.08
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.
3e5y TRMH FAMILY RNA
METHYLTRANSFERASE

(Burkholderia
pseudomallei) 		PF00588
(SpoU_methylase) 		5 ASN A  14
GLY A 102
MET A 126
SER A 132
ASN A 134
 None
 0.92A 3nk7A-3e5yA:
15.9		 3nk7A-3e5yA:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE

(Streptomyces
cyaneus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		6 ASN A 129
GLY A 218
MET A 240
SER A 246
ASN A 248
VAL A 249
 None
SAM  A 270 (-2.9A)
SAM  A 270 (-3.5A)
SAM  A 270 (-2.8A)
SAM  A 270 ( 4.9A)
SAM  A 270 ( 4.2A)
 0.92A 3nk7A-3gyqA:
30.7		 3nk7A-3gyqA:
73.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE

(Streptomyces
cyaneus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		9 ASN A 129
LEU A 195
GLY A 218
GLY A 223
ILE A 238
MET A 240
ASN A 248
VAL A 249
SER A 252
 None
SAM  A 270 (-4.1A)
SAM  A 270 (-2.9A)
None
SAM  A 270 (-3.5A)
SAM  A 270 (-3.5A)
SAM  A 270 ( 4.9A)
SAM  A 270 ( 4.2A)
SAM  A 270 (-3.1A)
 0.59A 3nk7A-3gyqA:
30.7		 3nk7A-3gyqA:
73.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htv D-ALLOSE KINASE

(Escherichia
coli) 		PF00480
(ROK) 		5 LEU A 120
GLY A 291
GLY A 288
ILE A 243
SER A 282
 None
 0.89A 3nk7A-3htvA:
undetectable		 3nk7A-3htvA:
23.10
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		5 LEU 1 251
GLY 1 326
GLU 1  97
GLY 1 327
ILE 1 106
 None
 0.97A 3nk7A-3i9v1:
2.3		 3nk7A-3i9v1:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ic6 PUTATIVE METHYLASE
FAMILY PROTEIN

(Neisseria
gonorrhoeae) 		PF00588
(SpoU_methylase) 		5 ASN A  27
LEU A 109
GLY A 145
GLY A 150
ILE A 165
 None
 0.93A 3nk7A-3ic6A:
14.1		 3nk7A-3ic6A:
23.03
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.
3ic8 UNCHARACTERIZED
GST-LIKE
PROTEINPROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 LEU A  46
GLY A  48
GLY A  49
ILE A 232
ASN A 291
 None
 1.06A 3nk7A-3ic8A:
undetectable		 3nk7A-3ic8A:
23.75
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.
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		5 ASN A  17
GLY A 111
GLY A 116
ILE A 131
SER A 139
 None
EDO  A 242 (-4.6A)
None
EDO  A 243 (-4.0A)
None
 0.88A 3nk7A-3ilkA:
15.9		 3nk7A-3ilkA:
21.80
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.
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		5 GLY A 111
GLY A 116
ILE A 131
SER A 139
ASN A 141
 EDO  A 242 (-4.6A)
None
EDO  A 243 (-4.0A)
None
None
 0.89A 3nk7A-3ilkA:
15.9		 3nk7A-3ilkA:
21.80
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.
3k7y ASPARTATE
AMINOTRANSFERASE

(Plasmodium
falciparum) 		PF00155
(Aminotran_1_2) 		5 LEU A 113
GLY A 108
GLY A 106
ILE A 263
ASN A  72
 None
None
PLP  A 406 (-3.4A)
None
None
 1.01A 3nk7A-3k7yA:
undetectable		 3nk7A-3k7yA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kty PROBABLE
METHYLTRANSFERASE

(Bordetella
pertussis) 		PF00588
(SpoU_methylase) 		8 ASN A  20
LEU A  85
GLY A 123
GLY A 128
ILE A 143
SER A 151
ASN A 153
VAL A 154
 None
 0.75A 3nk7A-3ktyA:
17.6		 3nk7A-3ktyA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l8u PUTATIVE RRNA
METHYLASE

(Streptococcus
mutans) 		PF00588
(SpoU_methylase) 		6 ASN A  30
GLY A 117
GLY A 122
ILE A 138
SER A 147
ASN A 149
 None
 0.63A 3nk7A-3l8uA:
16.4		 3nk7A-3l8uA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n4k RNA
METHYLTRANSFERASE

(Yersinia pestis) 		PF00588
(SpoU_methylase) 		9 ASN A  14
LEU A  83
THR A  85
GLY A 105
GLY A 110
ILE A 127
MET A 129
SER A 135
ASN A 137
 None
SAH  A 201 (-4.1A)
SAH  A 201 (-3.1A)
SAH  A 201 (-3.1A)
SAH  A 201 (-3.4A)
SAH  A 201 (-3.8A)
SAH  A 201 (-3.4A)
SAH  A 201 (-3.3A)
None
 0.71A 3nk7A-3n4kA:
16.7		 3nk7A-3n4kA:
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.
3n4k RNA
METHYLTRANSFERASE

(Yersinia pestis) 		PF00588
(SpoU_methylase) 		8 LEU A  83
THR A  85
GLU A 107
GLY A 110
ILE A 127
MET A 129
SER A 135
ASN A 137
 SAH  A 201 (-4.1A)
SAH  A 201 (-3.1A)
None
SAH  A 201 (-3.4A)
SAH  A 201 (-3.8A)
SAH  A 201 (-3.4A)
SAH  A 201 (-3.3A)
None
 1.25A 3nk7A-3n4kA:
16.7		 3nk7A-3n4kA:
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.
3n4k RNA
METHYLTRANSFERASE

(Yersinia pestis) 		PF00588
(SpoU_methylase) 		5 THR A  85
GLY A 105
MET A 129
SER A 135
ASN A 137
 SAH  A 201 (-3.1A)
SAH  A 201 (-3.1A)
SAH  A 201 (-3.4A)
SAH  A 201 (-3.3A)
None
 0.88A 3nk7A-3n4kA:
16.7		 3nk7A-3n4kA:
20.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nk7 23S RRNA
METHYLTRANSFERASE

(Streptomyces
actuosus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		6 ASN A 129
GLU A 220
GLY A 222
SER A 246
ASN A 248
VAL A 249
 SAM  A 770 ( 4.1A)
SAM  A 770 (-4.2A)
None
SAM  A 770 (-3.9A)
SAM  A 770 (-4.1A)
SAM  A 770 (-3.7A)
 0.86A 3nk7A-3nk7A:
44.3		 3nk7A-3nk7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nk7 23S RRNA
METHYLTRANSFERASE

(Streptomyces
actuosus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		8 ASN A 129
LEU A 195
GLY A 218
GLU A 220
ILE A 255
ASN A 248
VAL A 249
SER A 252
 SAM  A 770 ( 4.1A)
SAM  A 770 (-3.8A)
SAM  A 770 (-3.0A)
SAM  A 770 (-4.2A)
None
SAM  A 770 (-4.1A)
SAM  A 770 (-3.7A)
SAM  A 770 (-3.1A)
 1.25A 3nk7A-3nk7A:
44.3		 3nk7A-3nk7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nk7 23S RRNA
METHYLTRANSFERASE

(Streptomyces
actuosus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		12 ASN A 129
LEU A 195
THR A 197
GLY A 218
GLU A 220
GLY A 223
ILE A 238
MET A 240
SER A 246
ASN A 248
VAL A 249
SER A 252
 SAM  A 770 ( 4.1A)
SAM  A 770 (-3.8A)
None
SAM  A 770 (-3.0A)
SAM  A 770 (-4.2A)
SAM  A 770 (-3.4A)
SAM  A 770 (-3.8A)
SAM  A 770 (-3.3A)
SAM  A 770 (-3.9A)
SAM  A 770 (-4.1A)
SAM  A 770 (-3.7A)
SAM  A 770 (-3.1A)
 0.00A 3nk7A-3nk7A:
44.3		 3nk7A-3nk7A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nx4 PUTATIVE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 157
GLY A 317
ILE A 195
SER A 182
SER A 178
 NAP  A 330 (-3.2A)
None
None
None
NAP  A 330 (-2.4A)
 1.06A 3nk7A-3nx4A:
2.4		 3nk7A-3nx4A:
24.62
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.
3p5b LOW DENSITY
LIPOPROTEIN RECEPTOR
VARIANT

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		5 ASN L 570
GLY L 552
ILE L 545
SER L 566
VAL L 569
 None
 1.09A 3nk7A-3p5bL:
undetectable		 3nk7A-3p5bL:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ufx SUCCINYL-COA
SYNTHETASE BETA
SUBUNIT

(Thermus
aquaticus) 		PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		5 GLY B 283
GLY B 282
ILE B 307
ASN B 291
VAL B 288
 None
 0.96A 3nk7A-3ufxB:
3.6		 3nk7A-3ufxB:
22.64
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 THR A  61
GLY A  35
GLY A  32
ILE A  93
SER A  54
 None
 1.09A 3nk7A-3upyA:
3.9		 3nk7A-3upyA:
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.
3vhl DEDICATOR OF
CYTOKINESIS PROTEIN
8

(Mus musculus) 		PF06920
(DHR-2) 		5 LEU A1830
GLY A1832
GLY A1835
ILE A1866
SER A1827
 None
 1.06A 3nk7A-3vhlA:
undetectable		 3nk7A-3vhlA:
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.
3vpz GLUCOKINASE

(Pseudoalteromonas
sp. AS-131) 		PF02685
(Glucokinase) 		5 GLY A 274
GLY A 275
ILE A 131
ASN A 128
VAL A 311
 None
 0.98A 3nk7A-3vpzA:
undetectable		 3nk7A-3vpzA:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4atw ALPHA-L-ARABINOFURAN
OSIDASE DOMAIN
PROTEIN

(Thermotoga
maritima) 		PF06964
(Alpha-L-AF_C) 		5 GLY A  35
GLY A  34
ILE A 342
MET A 448
VAL A  53
 None
 0.97A 3nk7A-4atwA:
undetectable		 3nk7A-4atwA:
22.77
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.
4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		5 GLY A 148
GLU A 278
GLY A 149
ILE A 372
SER A 367
 None
 0.96A 3nk7A-4c1tA:
undetectable		 3nk7A-4c1tA:
23.86
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.
4cng SPOU RRNA METHYLASE

(Sulfolobus
acidocaldarius) 		PF00588
(SpoU_methylase) 		5 ASN A  15
GLY A 111
GLY A 116
ILE A 131
ASN A 141
 None
SAH  A1157 (-3.1A)
SAH  A1157 ( 3.2A)
SAH  A1157 (-3.6A)
None
 0.59A 3nk7A-4cngA:
17.0		 3nk7A-4cngA:
23.66
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.
4f9o HEXOKINASE-1

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 THR A 664
GLY A 675
GLY A 859
ILE A 904
SER A 897
 None
None
None
None
0NZ  A1004 (-2.5A)
 1.04A 3nk7A-4f9oA:
undetectable		 3nk7A-4f9oA:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gqb PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Homo sapiens) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		5 GLY A 365
ILE A 341
ASN A 373
VAL A 372
SER A 375
 0XU  A 701 (-2.9A)
None
None
None
None
 0.88A 3nk7A-4gqbA:
2.1		 3nk7A-4gqbA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kdz TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		7 ASN A  14
THR A  80
GLY A 100
GLY A 105
ILE A 122
MET A 124
ASN A 132
 None
 0.66A 3nk7A-4kdzA:
17.1		 3nk7A-4kdzA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kdz TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		7 ASN A  14
THR A  80
GLY A 100
GLY A 105
ILE A 122
SER A 130
ASN A 132
 None
 0.85A 3nk7A-4kdzA:
17.1		 3nk7A-4kdzA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kdz TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		6 LEU A  78
GLY A 100
GLY A 105
ILE A 122
SER A 130
ASN A 132
 None
 1.08A 3nk7A-4kdzA:
17.1		 3nk7A-4kdzA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pzk TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Bacillus
anthracis) 		PF00588
(SpoU_methylase) 		8 ASN A  15
LEU A  79
GLY A 104
GLY A 109
ILE A 125
MET A 127
SER A 133
ASN A 135
 None
SAH  A 201 (-4.0A)
SAH  A 201 (-3.1A)
SAH  A 201 (-3.3A)
SAH  A 201 (-3.9A)
SAH  A 201 (-3.3A)
SAH  A 201 ( 3.8A)
None
 0.57A 3nk7A-4pzkA:
16.7		 3nk7A-4pzkA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pzk TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Bacillus
anthracis) 		PF00588
(SpoU_methylase) 		8 LEU A  79
GLY A 104
GLU A 106
GLY A 109
ILE A 125
MET A 127
SER A 133
ASN A 135
 SAH  A 201 (-4.0A)
SAH  A 201 (-3.1A)
None
SAH  A 201 (-3.3A)
SAH  A 201 (-3.9A)
SAH  A 201 (-3.3A)
SAH  A 201 ( 3.8A)
None
 1.20A 3nk7A-4pzkA:
16.7		 3nk7A-4pzkA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q7a N-ACETYL-ORNITHINE/N
-ACETYL-LYSINE
DEACETYLASE

(Sphaerobacter
thermophilus) 		PF01546
(Peptidase_M20) 		5 LEU A  68
THR A 119
GLY A  70
GLY A 122
ILE A  66
 None
 1.08A 3nk7A-4q7aA:
undetectable		 3nk7A-4q7aA:
24.38
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.
4u60 STRUCTURAL PROTEIN
VP1

(Human
polyomavirus 8) 		PF00718
(Polyoma_coat) 		5 LEU A 163
GLY A 159
GLY A 160
VAL A 267
SER A 268
 None
 1.04A 3nk7A-4u60A:
undetectable		 3nk7A-4u60A:
24.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x3m RNA 2'-O RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase) 		8 ASN A 122
GLY A 208
GLY A 213
ILE A 228
MET A 230
SER A 236
ASN A 238
VAL A 239
 None
ADN  A 301 (-3.1A)
None
ADN  A 301 (-3.8A)
ADN  A 301 (-3.5A)
ADN  A 301 (-4.5A)
None
ADN  A 301 ( 4.2A)
 0.75A 3nk7A-4x3mA:
21.0		 3nk7A-4x3mA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x3m RNA 2'-O RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase) 		6 ASN A 122
LEU A 246
ILE A 228
MET A 230
ASN A 238
VAL A 239
 None
None
ADN  A 301 (-3.8A)
ADN  A 301 (-3.5A)
None
ADN  A 301 ( 4.2A)
 1.35A 3nk7A-4x3mA:
21.0		 3nk7A-4x3mA:
30.21
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.
4xbo TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		5 ASN A  17
GLY A 114
GLY A 119
ILE A 134
ASN A 144
 None
SAH  A 301 (-2.9A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.9A)
None
 0.73A 3nk7A-4xboA:
16.2		 3nk7A-4xboA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xbo TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		5 ASN A  17
GLY A 114
ILE A 134
SER A 142
ASN A 144
 None
SAH  A 301 (-2.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.4A)
None
 0.76A 3nk7A-4xboA:
16.2		 3nk7A-4xboA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		5 LEU A  82
GLY A 180
GLY A 181
ILE A 175
VAL A 178
 None
 1.02A 3nk7A-4yjiA:
undetectable		 3nk7A-4yjiA:
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.
5ayn SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER)

(Bdellovibrio
bacteriovorus) 		PF06963
(FPN1) 		5 LEU A 374
GLY A 372
GLY A  65
ILE A 247
SER A 379
 None
 1.10A 3nk7A-5aynA:
undetectable		 3nk7A-5aynA:
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 GLY A 394
GLY A 393
ILE A 223
MET A 226
SER A 273
 None
 1.05A 3nk7A-5bwiA:
undetectable		 3nk7A-5bwiA:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 6 ASN B  14
GLY B 101
GLY B 106
ILE B 120
MET B 122
ASN B 130
 None
MTA  B 401 (-3.2A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
None
 0.49A 3nk7A-5co4B:
17.6		 3nk7A-5co4B:
25.09
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.
5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 6 ASN B  14
GLY B 101
ILE B 120
MET B 122
SER B 128
ASN B 130
 None
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 ( 3.9A)
None
 0.43A 3nk7A-5co4B:
17.6		 3nk7A-5co4B:
25.09
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.
5fid ELICITOR PROTEIN
HRIP2

(Magnaporthe
oryzae) 		no annotation 5 GLY A  91
GLY A 139
ILE A  80
SER A 111
ASN A 145
 None
 1.05A 3nk7A-5fidA:
undetectable		 3nk7A-5fidA:
17.69
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.
5flz TUBULIN GAMMA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 ASN C 186
LEU C 150
GLY C 147
GLY C  11
ILE C 111
 None
 1.08A 3nk7A-5flzC:
undetectable		 3nk7A-5flzC:
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.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 ASN A 106
GLY A 464
SER A 436
VAL A 456
SER A 458
 None
HEM  A 580 ( 4.2A)
None
None
None
 1.05A 3nk7A-5fsaA:
undetectable		 3nk7A-5fsaA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gmb TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Pseudomonas
aeruginosa) 		PF00588
(SpoU_methylase) 		5 ASN A  17
GLY A 115
GLY A 120
ILE A 135
ASN A 145
 None
 0.60A 3nk7A-5gmbA:
16.7		 3nk7A-5gmbA:
23.49
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.
5ija HYDROGENASE-SPECIFIC
MATURATION
ENDOPEPTIDASE

(Thermococcus
kodakarensis) 		PF01750
(HycI) 		5 LEU A   6
GLY A  37
GLU A  11
GLY A   9
ILE A   5
 None
 1.07A 3nk7A-5ijaA:
undetectable		 3nk7A-5ijaA:
23.57
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.
5l0z PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Sinorhizobium
meliloti) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		6 ASN A 147
GLY A 235
GLY A 240
ILE A 255
SER A 263
ASN A 265
 SO4  A 303 (-3.8A)
SAM  A 304 (-3.2A)
SAM  A 304 (-3.4A)
SAM  A 304 (-3.9A)
SAM  A 304 (-3.1A)
SO4  A 303 (-3.9A)
 0.60A 3nk7A-5l0zA:
23.9		 3nk7A-5l0zA:
29.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l0z PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Sinorhizobium
meliloti) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		6 GLY A 235
GLU A 237
GLY A 240
ILE A 255
SER A 263
ASN A 265
 SAM  A 304 (-3.2A)
SO4  A 303 ( 4.8A)
SAM  A 304 (-3.4A)
SAM  A 304 (-3.9A)
SAM  A 304 (-3.1A)
SO4  A 303 (-3.9A)
 1.22A 3nk7A-5l0zA:
23.9		 3nk7A-5l0zA:
29.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5obu CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 5 LEU A 522
GLY A 387
ILE A 455
SER A 381
VAL A 420
 None
 1.05A 3nk7A-5obuA:
undetectable		 3nk7A-5obuA:
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.
5u7x NOD FACTOR BINDING
LECTIN-NUCLEOTIDE
PHOSPHOHYDROLASE

(Vigna
unguiculata) 		PF01150
(GDA1_CD39) 		6 LEU F 395
THR F 397
ILE F 399
MET F 412
ASN F 140
VAL F 139
 None
 1.41A 3nk7A-5u7xF:
undetectable		 3nk7A-5u7xF:
23.44
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.
5u7z ACID CERAMIDASE

(Homo sapiens) 		no annotation 5 GLY B 291
GLY B 284
ILE B 349
MET B 354
VAL B 316
 None
 1.07A 3nk7A-5u7zB:
undetectable		 3nk7A-5u7zB:
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM3

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF17207
(MCM_OB) 		5 LEU 3 385
GLY 3 387
GLY 3 388
ILE 3 381
ASN 3 404
 None
 1.09A 3nk7A-5udb3:
undetectable		 3nk7A-5udb3:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b0n ENVELOPE
GLYCOPROTEIN GP140

(Human
immunodeficiency
virus 1) 		no annotation 5 ASN G 363
LEU G 452
GLY G 471
GLY G 472
ILE G 449
 NAG  G1363 (-2.5A)
None
None
None
None
 1.04A 3nk7A-6b0nG:
undetectable		 3nk7A-6b0nG:
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.
6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1

(Homo sapiens) 		no annotation 5 GLY A1170
GLY A1137
ILE A1212
MET A1215
SER A1184
 None
 1.06A 3nk7A-6f9nA:
undetectable		 3nk7A-6f9nA:
undetectable