SIMILAR PATTERNS OF AMINO ACIDS FOR 1X7P_A_SAMA301

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.
1bdm MALATE DEHYDROGENASE

(Thermus
thermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  16
GLY A  13
SER A 240
ALA A 245
ARG A 237
 None
NAX  A 334 (-3.4A)
NAX  A 334 ( 4.0A)
NAX  A 334 (-3.5A)
None
 0.80A 1x7pA-1bdmA:
2.6
1x7pB-1bdmA:
undetectable		 1x7pA-1bdmA:
24.30
1x7pB-1bdmA:
24.30
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) 		5 GLY A 199
MET A 218
SER A 224
LEU A 225
ALA A 230
 None
 0.89A 1x7pA-1gz0A:
23.2
1x7pB-1gz0A:
23.5		 1x7pA-1gz0A:
31.44
1x7pB-1gz0A:
31.44
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) 		5 ILE A 216
MET A 218
SER A 224
LEU A 225
ALA A 230
 None
 0.83A 1x7pA-1gz0A:
23.2
1x7pB-1gz0A:
23.5		 1x7pA-1gz0A:
31.44
1x7pB-1gz0A:
31.44
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 THR A 174
GLY A 196
GLY A 201
MET A 218
LEU A 225
ALA A 230
 None
 0.48A 1x7pA-1gz0A:
23.2
1x7pB-1gz0A:
23.5		 1x7pA-1gz0A:
31.44
1x7pB-1gz0A:
31.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ipa RNA 2'-O-RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		6 THR A 193
GLY A 215
GLY A 220
MET A 237
SER A 243
LEU A 244
 None
 1.21A 1x7pA-1ipaA:
21.9
1x7pB-1ipaA:
22.3		 1x7pA-1ipaA:
31.89
1x7pB-1ipaA:
31.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j6r METHIONINE SYNTHASE

(Thermotoga
maritima) 		no annotation 5 GLU A 105
GLY A 110
ILE A 103
ALA A 115
ARG A  42
 None
 1.00A 1x7pA-1j6rA:
undetectable
1x7pB-1j6rA:
undetectable		 1x7pA-1j6rA:
19.54
1x7pB-1j6rA:
19.54
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.
1nlu SEDOLISIN

(Pseudomonas sp.) 		no annotation 5 THR A 204
GLY A 354
GLY A 352
SER A 168
ALA A 289
 None
 0.93A 1x7pA-1nluA:
2.2
1x7pB-1nluA:
2.3		 1x7pA-1nluA:
22.67
1x7pB-1nluA:
22.67
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.
1qh1 PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		5 GLY B 374
MET B 351
LEU B 318
ALA B 320
ALA B 319
 None
 1.00A 1x7pA-1qh1B:
2.4
1x7pB-1qh1B:
2.0		 1x7pA-1qh1B:
20.84
1x7pB-1qh1B:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ru3 ACETYL-COA SYNTHASE

(Carboxydothermus
hydrogenoformans) 		PF03598
(CdhC) 		5 GLY A 106
GLY A 271
ILE A 116
ALA A  32
ALA A  35
 None
 1.00A 1x7pA-1ru3A:
undetectable
1x7pB-1ru3A:
undetectable		 1x7pA-1ru3A:
17.89
1x7pB-1ru3A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s5p NAD-DEPENDENT
DEACETYLASE

(Escherichia
coli) 		PF02146
(SIR2) 		5 THR A  47
GLY A  50
ILE A 211
LEU A 239
ALA A 258
 None
 0.95A 1x7pA-1s5pA:
4.6
1x7pB-1s5pA:
4.6		 1x7pA-1s5pA:
22.08
1x7pB-1s5pA:
22.08
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 GLY A 389
GLY A 378
ILE A 371
ALA A 393
ALA A 394
 None
 0.93A 1x7pA-1ukcA:
undetectable
1x7pB-1ukcA:
undetectable		 1x7pA-1ukcA:
21.05
1x7pB-1ukcA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 THR A  99
GLY A 122
GLY A 127
ILE A 142
MET A 144
SER A 150
LEU A 151
ALA A 156
 SAM  A 400 (-3.2A)
SAM  A 400 (-3.2A)
SAM  A 400 (-3.8A)
SAM  A 400 (-3.6A)
SAM  A 400 (-3.3A)
SAM  A 400 ( 3.7A)
SAM  A 400 (-4.0A)
SAM  A 400 (-3.5A)
 0.71A 1x7pA-1v2xA:
19.2
1x7pB-1v2xA:
19.2		 1x7pA-1v2xA:
25.34
1x7pB-1v2xA:
25.34
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.
1v6z HYPOTHETICAL PROTEIN
TTHA0657

(Thermus
thermophilus) 		PF04452
(Methyltrans_RNA) 		5 GLY A 181
GLY A 185
LEU A 209
ALA A 211
ALA A 214
 None
 0.59A 1x7pA-1v6zA:
13.6
1x7pB-1v6zA:
13.6		 1x7pA-1v6zA:
26.64
1x7pB-1v6zA:
26.64
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.
1vs3 TRNA PSEUDOURIDINE
SYNTHASE A

(Thermus
thermophilus) 		PF01416
(PseudoU_synth_1) 		5 GLY A 209
GLY A 211
SER A 217
ALA A 139
ALA A 143
 None
 0.94A 1x7pA-1vs3A:
undetectable
1x7pB-1vs3A:
undetectable		 1x7pA-1vs3A:
26.95
1x7pB-1vs3A:
26.95
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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 GLU A 558
GLY A 499
GLY A 498
ILE A 556
LEU A 491
 None
 1.03A 1x7pA-1w6jA:
undetectable
1x7pB-1w6jA:
undetectable		 1x7pA-1w6jA:
19.02
1x7pB-1w6jA:
19.02
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) 		10 THR A 210
GLU A 212
GLY A 232
GLY A 237
ILE A 252
MET A 254
SER A 260
LEU A 261
ALA A 263
ALA A 266
 SAM  A 301 (-3.6A)
SAM  A 301 (-4.8A)
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)
SAM  A 301 (-4.1A)
SAM  A 301 (-3.8A)
SAM  A 301 (-3.4A)
 0.02A 1x7pA-1x7pA:
45.5
1x7pB-1x7pA:
33.3		 1x7pA-1x7pA:
100.00
1x7pB-1x7pA:
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.
1xwm PHOSPHATE UPTAKE
REGULATOR

(Geobacillus
stearothermophilus) 		PF01895
(PhoU) 		5 GLY A 108
GLY A 109
LEU A  41
ALA A  39
ALA A  42
 None
 0.94A 1x7pA-1xwmA:
undetectable
1x7pB-1xwmA:
undetectable		 1x7pA-1xwmA:
22.48
1x7pB-1xwmA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		5 GLU A 521
GLY A 507
ILE A 516
LEU A 501
ALA A 503
 None
 0.96A 1x7pA-1z7eA:
undetectable
1x7pB-1z7eA:
2.4		 1x7pA-1z7eA:
19.27
1x7pB-1z7eA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		5 GLY A 126
GLY A 131
MET A 148
LEU A 155
ALA A 160
 GOL  A 529 (-4.0A)
GOL  A 530 (-3.7A)
None
None
GOL  A 529 (-3.6A)
 0.96A 1x7pA-1zjrA:
17.5
1x7pB-1zjrA:
17.5		 1x7pA-1zjrA:
21.70
1x7pB-1zjrA:
21.70
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.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		7 THR A 103
GLY A 126
ILE A 146
MET A 148
SER A 154
LEU A 155
ALA A 160
 GOL  A 529 (-3.0A)
GOL  A 529 (-4.0A)
None
None
GOL  A 529 (-3.5A)
None
GOL  A 529 (-3.6A)
 0.91A 1x7pA-1zjrA:
17.5
1x7pB-1zjrA:
17.5		 1x7pA-1zjrA:
21.70
1x7pB-1zjrA:
21.70
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.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		6 THR A 316
GLY A 318
GLY A 203
ILE A  63
LEU A 336
ALA A 321
 ACY  A1402 (-4.3A)
None
None
None
None
None
 1.43A 1x7pA-1zkjA:
undetectable
1x7pB-1zkjA:
undetectable		 1x7pA-1zkjA:
23.63
1x7pB-1zkjA:
23.63
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.
2c3d 2-OXOPROPYL-COM
REDUCTASE

(Xanthobacter
autotrophicus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  55
GLY A  51
SER A 144
LEU A 148
ALA A  60
 None
FAD  A1524 ( 4.8A)
None
None
None
 0.98A 1x7pA-2c3dA:
3.9
1x7pB-2c3dA:
4.5		 1x7pA-2c3dA:
20.04
1x7pB-2c3dA:
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.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLU A 288
GLY A 285
MET A 439
ALA A 239
ALA A 234
 None
 1.00A 1x7pA-2cgjA:
undetectable
1x7pB-2cgjA:
undetectable		 1x7pA-2cgjA:
23.75
1x7pB-2cgjA:
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.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		5 GLY A 277
GLY A 120
ILE A 106
LEU A 267
ALA A 268
 None
 1.00A 1x7pA-2cy8A:
undetectable
1x7pB-2cy8A:
undetectable		 1x7pA-2cy8A:
21.69
1x7pB-2cy8A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d5w PEPTIDE ABC
TRANSPORTER,
PEPTIDE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF00496
(SBP_bac_5) 		5 GLY A 573
GLY A 570
ILE A  32
ALA A  31
ARG A  25
 None
 1.03A 1x7pA-2d5wA:
undetectable
1x7pB-2d5wA:
undetectable		 1x7pA-2d5wA:
19.34
1x7pB-2d5wA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fw2 TESTIS-SPECIFIC
CHROMODOMAIN PROTEIN
Y 2

(Homo sapiens) 		PF00378
(ECH_1) 		5 GLY A 109
MET A 164
LEU A 171
ALA A 173
ALA A 176
 None
 1.01A 1x7pA-2fw2A:
undetectable
1x7pB-2fw2A:
undetectable		 1x7pA-2fw2A:
20.40
1x7pB-2fw2A:
20.40
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.
2gtr CHROMODOMAIN Y-LIKE
PROTEIN

(Homo sapiens) 		PF00378
(ECH_1) 		5 GLY A 110
MET A 165
LEU A 172
ALA A 174
ALA A 177
 None
 0.86A 1x7pA-2gtrA:
undetectable
1x7pB-2gtrA:
undetectable		 1x7pA-2gtrA:
20.95
1x7pB-2gtrA:
20.95
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.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF00480
(ROK) 		6 GLU A 108
GLY A 231
ILE A 132
SER A 107
ALA A 101
ALA A 130
 None
SUC  A 290 ( 4.5A)
None
None
None
None
 1.36A 1x7pA-2gupA:
undetectable
1x7pB-2gupA:
undetectable		 1x7pA-2gupA:
21.91
1x7pB-2gupA:
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.
2ha8 TAR (HIV-1) RNA LOOP
BINDING PROTEIN

(Homo sapiens) 		PF00588
(SpoU_methylase) 		5 GLY A 129
GLY A 134
ILE A 149
SER A 157
LEU A 158
 SAH  A 401 (-3.1A)
SAH  A 401 (-3.2A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-4.3A)
 0.75A 1x7pA-2ha8A:
20.4
1x7pB-2ha8A:
20.8		 1x7pA-2ha8A:
21.95
1x7pB-2ha8A:
21.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i6d RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Porphyromonas
gingivalis) 		PF00588
(SpoU_methylase) 		5 GLY A 203
GLY A 208
ILE A 223
LEU A 237
ALA A 242
 None
 0.49A 1x7pA-2i6dA:
25.9
1x7pB-2i6dA:
25.6		 1x7pA-2i6dA:
30.45
1x7pB-2i6dA:
30.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermotoga
maritima;
Thermotoga
maritima) 		PF01680
(SOR_SNZ)
PF01174
(SNO) 		5 THR D  50
GLY A  21
GLY A  20
MET D  58
LEU A 254
 None
 1.03A 1x7pA-2issD:
undetectable
1x7pB-2issD:
undetectable		 1x7pA-2issD:
21.75
1x7pB-2issD:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pyw UNCHARACTERIZED
PROTEIN

(Arabidopsis
thaliana) 		PF01636
(APH) 		5 GLU A 374
GLY A 129
ILE A 379
ALA A 278
ALA A 281
 None
 1.03A 1x7pA-2pywA:
undetectable
1x7pB-2pywA:
undetectable		 1x7pA-2pywA:
20.65
1x7pB-2pywA:
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.
2qmm UPF0217 PROTEIN
AF_1056

(Archaeoglobus
fulgidus) 		PF04013
(Methyltrn_RNA_2) 		5 GLY A 242
GLY A 246
SER A 269
LEU A 270
ALA A 272
 SAM  A 301 (-3.6A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.1A)
SAM  A 301 (-4.5A)
SAM  A 301 ( 4.0A)
 0.58A 1x7pA-2qmmA:
10.0
1x7pB-2qmmA:
10.5		 1x7pA-2qmmA:
23.13
1x7pB-2qmmA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qz6 BETA-LACTAMASE

(Pseudomonas
fluorescens) 		PF00144
(Beta-lactamase) 		6 THR A 319
GLY A 321
GLY A 202
ILE A  62
LEU A 339
ALA A 324
 None
 1.44A 1x7pA-2qz6A:
undetectable
1x7pB-2qz6A:
undetectable		 1x7pA-2qz6A:
19.90
1x7pB-2qz6A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 GLU A 892
GLY A 940
MET A 839
LEU A 930
ALA A 931
 None
 1.01A 1x7pA-2xt6A:
2.4
1x7pB-2xt6A:
2.5		 1x7pA-2xt6A:
14.12
1x7pB-2xt6A:
14.12
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.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE

(Thermus
thermophilus) 		PF03747
(ADP_ribosyl_GH) 		5 THR A 224
GLY A 127
LEU A 202
ALA A 164
ALA A 167
 None
 0.99A 1x7pA-2yzwA:
undetectable
1x7pB-2yzwA:
undetectable		 1x7pA-2yzwA:
22.26
1x7pB-2yzwA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 213
GLY A 214
ILE A 136
ALA A 173
ALA A 140
 None
None
MYA  A   1 ( 4.8A)
None
MYA  A   1 ( 4.8A)
 0.99A 1x7pA-3b96A:
undetectable
1x7pB-3b96A:
undetectable		 1x7pA-3b96A:
19.63
1x7pB-3b96A:
19.63
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.
3btu GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Saccharomyces
cerevisiae) 		PF01408
(GFO_IDH_MocA) 		5 GLY A 310
GLY A 180
ILE A 158
MET A 221
LEU A 305
 None
 0.97A 1x7pA-3btuA:
undetectable
1x7pB-3btuA:
2.7		 1x7pA-3btuA:
22.05
1x7pB-3btuA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dcm UNCHARACTERIZED
PROTEIN TM_1570

(Thermotoga
maritima) 		PF09936
(Methyltrn_RNA_4) 		6 THR X 111
GLY X 141
GLY X 145
ILE X 161
LEU X 170
ALA X 175
 SAM  X5452 (-3.9A)
SAM  X5452 (-3.1A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.7A)
SAM  X5452 (-4.2A)
SAM  X5452 (-3.3A)
 0.49A 1x7pA-3dcmX:
14.3
1x7pB-3dcmX:
14.5		 1x7pA-3dcmX:
22.57
1x7pB-3dcmX:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ge4 DNA PROTECTION
DURING STARVATION
PROTEIN

(Brucella
melitensis) 		PF00210
(Ferritin) 		5 GLY A  86
ILE A  23
LEU A  26
ALA A  74
ALA A  77
 None
 0.94A 1x7pA-3ge4A:
undetectable
1x7pB-3ge4A:
undetectable		 1x7pA-3ge4A:
21.99
1x7pB-3ge4A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE

(Streptomyces
cyaneus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		6 GLY A 218
GLY A 223
ILE A 238
MET A 240
SER A 246
LEU A 247
 SAM  A 270 (-2.9A)
None
SAM  A 270 (-3.5A)
SAM  A 270 (-3.5A)
SAM  A 270 (-2.8A)
SAM  A 270 (-4.4A)
 0.91A 1x7pA-3gyqA:
20.9
1x7pB-3gyqA:
22.8		 1x7pA-3gyqA:
27.99
1x7pB-3gyqA:
27.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ic6 PUTATIVE METHYLASE
FAMILY PROTEIN

(Neisseria
gonorrhoeae) 		PF00588
(SpoU_methylase) 		5 GLY A 145
GLY A 150
ILE A 165
LEU A 174
ALA A 179
 None
 0.76A 1x7pA-3ic6A:
15.3
1x7pB-3ic6A:
15.1		 1x7pA-3ic6A:
22.01
1x7pB-3ic6A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihg RDME

(Streptomyces
purpurascens) 		PF01494
(FAD_binding_3) 		5 GLY A  16
GLY A 328
LEU A 305
ALA A 178
ALA A 309
 FAD  A 536 (-3.9A)
None
None
None
None
 1.00A 1x7pA-3ihgA:
undetectable
1x7pB-3ihgA:
undetectable		 1x7pA-3ihgA:
20.88
1x7pB-3ihgA:
20.88
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.
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		7 THR A  78
GLY A 111
GLY A 116
ILE A 131
SER A 139
LEU A 140
ALA A 145
 EDO  A 242 (-3.4A)
EDO  A 242 (-4.6A)
None
EDO  A 243 (-4.0A)
None
None
EDO  A 242 ( 3.7A)
 0.93A 1x7pA-3ilkA:
17.1
1x7pB-3ilkA:
17.3		 1x7pA-3ilkA:
22.15
1x7pB-3ilkA:
22.15
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.
3kbq PROTEIN TA0487

(Thermoplasma
acidophilum) 		PF00994
(MoCF_biosynth) 		5 GLY A  50
GLY A  80
SER A  65
ALA A  52
ALA A  56
 None
 1.02A 1x7pA-3kbqA:
2.7
1x7pB-3kbqA:
2.6		 1x7pA-3kbqA:
23.16
1x7pB-3kbqA:
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.
3kty PROBABLE
METHYLTRANSFERASE

(Bordetella
pertussis) 		PF00588
(SpoU_methylase) 		5 GLY A 123
GLY A 128
ILE A 143
LEU A 152
ALA A 157
 None
 0.86A 1x7pA-3ktyA:
18.5
1x7pB-3ktyA:
18.6		 1x7pA-3ktyA:
24.65
1x7pB-3ktyA:
24.65
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.
3m1c ENVELOPE
GLYCOPROTEIN H

(Human
alphaherpesvirus
2) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		5 GLY A 428
ILE A 276
SER A 281
ALA A 260
ALA A 261
 None
 0.98A 1x7pA-3m1cA:
undetectable
1x7pB-3m1cA:
undetectable		 1x7pA-3m1cA:
19.86
1x7pB-3m1cA:
19.86
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.
3m5b ZINC FINGER AND BTB
DOMAIN-CONTAINING
PROTEIN 32

(Homo sapiens) 		PF00651
(BTB) 		5 GLY A  80
GLY A  13
LEU A  20
ALA A  22
ALA A  21
 None
 1.00A 1x7pA-3m5bA:
undetectable
1x7pB-3m5bA:
undetectable		 1x7pA-3m5bA:
20.07
1x7pB-3m5bA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdq EXOPOLYPHOSPHATASE

(Cytophaga
hutchinsonii) 		PF02541
(Ppx-GppA) 		5 GLY A 139
GLY A 161
ILE A  49
SER A  86
ARG A  85
 SO4  A 317 (-3.8A)
None
None
None
None
 1.02A 1x7pA-3mdqA:
undetectable
1x7pB-3mdqA:
undetectable		 1x7pA-3mdqA:
22.28
1x7pB-3mdqA:
22.28
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.
3n4k RNA
METHYLTRANSFERASE

(Yersinia pestis) 		PF00588
(SpoU_methylase) 		6 GLY A 105
GLY A 110
ILE A 127
MET A 129
SER A 135
ALA A 141
 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)
SAH  A 201 ( 4.0A)
 0.78A 1x7pA-3n4kA:
16.7
1x7pB-3n4kA:
17.0		 1x7pA-3n4kA:
20.21
1x7pB-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 GLY A 218
GLY A 223
ILE A 238
MET A 240
SER A 246
LEU A 247
 SAM  A 770 (-3.0A)
SAM  A 770 (-3.4A)
SAM  A 770 (-3.8A)
SAM  A 770 (-3.3A)
SAM  A 770 (-3.9A)
SAM  A 770 (-4.5A)
 0.85A 1x7pA-3nk7A:
24.1
1x7pB-3nk7A:
24.4		 1x7pA-3nk7A:
30.52
1x7pB-3nk7A:
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.
3o1h PERIPLASMIC PROTEIN
TORT

(Vibrio
parahaemolyticus) 		PF00532
(Peripla_BP_1) 		5 GLU B 231
GLY B 225
SER B 254
LEU B 253
ALA B 269
 None
 0.85A 1x7pA-3o1hB:
2.7
1x7pB-3o1hB:
2.9		 1x7pA-3o1hB:
22.41
1x7pB-3o1hB:
22.41
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.
3pnn CONSERVED DOMAIN
PROTEIN

(Porphyromonas
gingivalis) 		no annotation 5 GLY A  11
GLY A  13
ILE A  32
ALA A   9
ALA A 120
 GOL  A 302 (-3.6A)
None
GOL  A 301 (-4.4A)
None
None
 0.98A 1x7pA-3pnnA:
undetectable
1x7pB-3pnnA:
undetectable		 1x7pA-3pnnA:
21.35
1x7pB-3pnnA:
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.
3r6h ENOYL-COA HYDRATASE,
ECHA3

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 GLY A 221
GLY A 224
ILE A 137
MET A 135
ALA A 141
 None
None
None
K  A 300 (-4.8A)
None
 1.03A 1x7pA-3r6hA:
undetectable
1x7pB-3r6hA:
undetectable		 1x7pA-3r6hA:
23.15
1x7pB-3r6hA:
23.15
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 GLY A 468
GLY A 464
ILE A 122
ALA A 168
ALA A 171
 None
 0.89A 1x7pA-3rh9A:
undetectable
1x7pB-3rh9A:
undetectable		 1x7pA-3rh9A:
22.91
1x7pB-3rh9A:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vgl GLUCOKINASE

(Streptomyces
griseus) 		PF00480
(ROK) 		5 GLU A 265
GLY A 260
GLY A 261
ALA A 295
ALA A 294
 ANP  A 325 (-3.7A)
ANP  A 325 ( 4.1A)
ANP  A 325 (-3.6A)
None
None
 1.03A 1x7pA-3vglA:
undetectable
1x7pB-3vglA:
undetectable		 1x7pA-3vglA:
21.47
1x7pB-3vglA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3voo FATTY ACID
ALPHA-HYDROXYLASE

(Sphingomonas
paucimobilis) 		PF00067
(p450) 		5 GLU A 235
GLY A  79
ILE A 197
LEU A 236
ALA A 193
 None
 0.92A 1x7pA-3vooA:
undetectable
1x7pB-3vooA:
undetectable		 1x7pA-3vooA:
23.21
1x7pB-3vooA:
23.21
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.
3wz2 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09754
(PAC2) 		5 GLY A  27
GLY A 180
ILE A 153
LEU A 175
ALA A 114
 None
 0.98A 1x7pA-3wz2A:
2.1
1x7pB-3wz2A:
undetectable		 1x7pA-3wz2A:
21.40
1x7pB-3wz2A:
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.
3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME

(Mycolicibacterium
smegmatis) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 GLU A 892
GLY A 940
MET A 839
LEU A 930
ALA A 931
 None
 1.01A 1x7pA-3zhrA:
undetectable
1x7pB-3zhrA:
undetectable		 1x7pA-3zhrA:
15.30
1x7pB-3zhrA:
15.30
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLU A 145
GLY A 149
GLY A 346
ILE A 143
LEU A 131
 None
 0.82A 1x7pA-3zyvA:
undetectable
1x7pB-3zyvA:
undetectable		 1x7pA-3zyvA:
12.59
1x7pB-3zyvA:
12.59
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 5 GLY A 238
GLY A 271
ILE A 288
SER A 300
ALA A 275
 None
 0.97A 1x7pA-4a7kA:
undetectable
1x7pB-4a7kA:
undetectable		 1x7pA-4a7kA:
16.72
1x7pB-4a7kA:
16.72
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.
4atq 4-AMINOBUTYRATE
TRANSAMINASE

(Paenarthrobacter
aurescens) 		PF00202
(Aminotran_3) 		5 GLY A 240
GLY A 237
ILE A 418
LEU A 430
ALA A 388
 None
 0.89A 1x7pA-4atqA:
undetectable
1x7pB-4atqA:
undetectable		 1x7pA-4atqA:
21.04
1x7pB-4atqA:
21.04
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.
4cng SPOU RRNA METHYLASE

(Sulfolobus
acidocaldarius) 		PF00588
(SpoU_methylase) 		6 THR A  77
GLY A 111
GLY A 116
ILE A 131
LEU A 140
ALA A 145
 SAH  A1157 (-3.6A)
SAH  A1157 (-3.1A)
SAH  A1157 ( 3.2A)
SAH  A1157 (-3.6A)
SAH  A1157 (-3.8A)
SAH  A1157 ( 3.7A)
 0.51A 1x7pA-4cngA:
10.3
1x7pB-4cngA:
17.8		 1x7pA-4cngA:
21.38
1x7pB-4cngA:
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.
4cok PYRUVATE
DECARBOXYLASE

(Gluconacetobacter
diazotrophicus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLU A 403
GLY A 420
GLY A  59
ALA A 424
ALA A 425
 None
 1.03A 1x7pA-4cokA:
undetectable
1x7pB-4cokA:
2.3		 1x7pA-4cokA:
20.28
1x7pB-4cokA:
20.28
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.
4fay MICROCOMPARTMENTS
PROTEIN

(Lactobacillus
reuteri) 		PF00936
(BMC) 		5 GLY A  88
GLY A  89
ILE A 164
MET A 168
LEU A 130
 None
GOL  A 303 (-3.6A)
None
None
None
 1.00A 1x7pA-4fayA:
undetectable
1x7pB-4fayA:
undetectable		 1x7pA-4fayA:
23.42
1x7pB-4fayA:
23.42
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.
4ffc 4-AMINOBUTYRATE
AMINOTRANSFERASE
(GABT)

(Mycobacteroides
abscessus) 		PF00202
(Aminotran_3) 		5 GLY A 235
GLY A 232
ILE A 408
LEU A 420
ALA A 378
 None
 0.93A 1x7pA-4ffcA:
undetectable
1x7pB-4ffcA:
undetectable		 1x7pA-4ffcA:
20.54
1x7pB-4ffcA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fn7 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 GLY A 221
GLY A 224
ILE A 137
MET A 135
ALA A 141
 None
 1.01A 1x7pA-4fn7A:
undetectable
1x7pB-4fn7A:
undetectable		 1x7pA-4fn7A:
21.00
1x7pB-4fn7A:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fp9 MTERF
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF02536
(mTERF) 		5 GLY B 174
GLY B 135
ILE B 186
SER B 163
LEU B 166
 None
 1.00A 1x7pA-4fp9B:
undetectable
1x7pB-4fp9B:
undetectable		 1x7pA-4fp9B:
21.23
1x7pB-4fp9B:
21.23
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.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		5 GLU A 190
GLY A 108
GLY A 107
ILE A 192
ALA A 137
 None
 0.94A 1x7pA-4hcxA:
undetectable
1x7pB-4hcxA:
undetectable		 1x7pA-4hcxA:
22.64
1x7pB-4hcxA:
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.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		5 GLY A 435
ILE A 245
LEU A 252
ALA A 274
ALA A 277
 None
 0.97A 1x7pA-4hhrA:
undetectable
1x7pB-4hhrA:
undetectable		 1x7pA-4hhrA:
17.99
1x7pB-4hhrA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i1i MALATE DEHYDROGENASE

(Leishmania
major) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  16
GLY A  13
SER A 236
ALA A 241
ARG A 233
 None
NAD  A 400 (-3.3A)
NAD  A 400 ( 3.8A)
NAD  A 400 ( 3.7A)
None
 0.77A 1x7pA-4i1iA:
undetectable
1x7pB-4i1iA:
2.6		 1x7pA-4i1iA:
22.38
1x7pB-4i1iA:
22.38
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.
4j3c RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Sinorhizobium
meliloti) 		PF04452
(Methyltrans_RNA) 		5 GLY A 195
GLY A 199
LEU A 224
ALA A 226
ALA A 229
 None
 0.43A 1x7pA-4j3cA:
11.5
1x7pB-4j3cA:
10.7		 1x7pA-4j3cA:
28.85
1x7pB-4j3cA:
28.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kdz TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		5 GLY A 100
GLY A 105
ILE A 122
MET A 124
ALA A 136
 None
 0.70A 1x7pA-4kdzA:
18.1
1x7pB-4kdzA:
18.4		 1x7pA-4kdzA:
18.09
1x7pB-4kdzA:
18.09
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.
4kq9 RIBOSE ABC
TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Conexibacter
woesei) 		PF13407
(Peripla_BP_4) 		5 GLY A 278
ILE A 320
MET A 329
LEU A 272
ALA A 274
 None
 1.03A 1x7pA-4kq9A:
3.5
1x7pB-4kq9A:
4.3		 1x7pA-4kq9A:
24.65
1x7pB-4kq9A:
24.65
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.
4mes THIAMINE TRANSPORTER
THIT

(Lactococcus
lactis) 		PF09515
(Thia_YuaJ) 		6 GLY A  59
GLY A  56
ILE A  24
LEU A  20
ALA A  18
ALA A  21
 None
None
P6G  A 220 (-4.0A)
P6G  A 220 (-4.9A)
None
None
 1.48A 1x7pA-4mesA:
undetectable
1x7pB-4mesA:
undetectable		 1x7pA-4mesA:
20.91
1x7pB-4mesA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mes THIAMINE TRANSPORTER
THIT

(Lactococcus
lactis) 		PF09515
(Thia_YuaJ) 		6 GLY A  60
GLY A  56
ILE A  24
LEU A  20
ALA A  18
ALA A  21
 None
None
P6G  A 220 (-4.0A)
P6G  A 220 (-4.9A)
None
None
 1.30A 1x7pA-4mesA:
undetectable
1x7pB-4mesA:
undetectable		 1x7pA-4mesA:
20.91
1x7pB-4mesA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pd4 CYTOCHROME B

(Saccharomyces
cerevisiae) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 GLY C 337
GLY C 340
ILE C 354
SER C 284
ALA C 355
 None
 0.97A 1x7pA-4pd4C:
undetectable
1x7pB-4pd4C:
undetectable		 1x7pA-4pd4C:
21.14
1x7pB-4pd4C:
21.14
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.
4pzk TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Bacillus
anthracis) 		PF00588
(SpoU_methylase) 		6 GLY A 104
GLY A 109
ILE A 125
MET A 127
SER A 133
LEU A 134
 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)
SAH  A 201 (-4.2A)
 0.82A 1x7pA-4pzkA:
17.4
1x7pB-4pzkA:
17.7		 1x7pA-4pzkA:
21.26
1x7pB-4pzkA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rg1 C9ORF114

(Homo sapiens) 		PF02598
(Methyltrn_RNA_3) 		5 THR A 289
GLU A 291
GLY A 312
GLY A 316
ALA A 356
 SAH  A 401 (-3.8A)
UNX  A 405 (-4.1A)
SAH  A 401 (-3.1A)
SAH  A 401 (-3.3A)
SAH  A 401 (-3.4A)
 0.34A 1x7pA-4rg1A:
11.1
1x7pB-4rg1A:
11.3		 1x7pA-4rg1A:
24.70
1x7pB-4rg1A:
24.70
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.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 THR A  19
GLU A 209
GLY A  22
ILE A 182
ALA A 229
 None
 0.99A 1x7pA-4twiA:
4.4
1x7pB-4twiA:
4.6		 1x7pA-4twiA:
23.92
1x7pB-4twiA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		5 GLY A 474
GLY A 417
ILE A 515
ALA A 476
ALA A 519
 None
 0.90A 1x7pA-4ufcA:
undetectable
1x7pB-4ufcA:
undetectable		 1x7pA-4ufcA:
18.89
1x7pB-4ufcA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uuo CYTOSOLIC MALATE
DEHYDROGENASE

(Trichomonas
vaginalis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  16
GLY A  13
SER A 238
ALA A 243
ARG A 235
 None
 0.91A 1x7pA-4uuoA:
2.3
1x7pB-4uuoA:
2.5		 1x7pA-4uuoA:
22.00
1x7pB-4uuoA:
22.00
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) 		5 GLY A 208
ILE A 228
MET A 230
SER A 236
LEU A 237
 ADN  A 301 (-3.1A)
ADN  A 301 (-3.8A)
ADN  A 301 (-3.5A)
ADN  A 301 (-4.5A)
ADN  A 301 (-4.9A)
 0.95A 1x7pA-4x3mA:
28.3
1x7pB-4x3mA:
23.7		 1x7pA-4x3mA:
34.12
1x7pB-4x3mA:
34.12
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.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00144
(Beta-lactamase) 		6 THR A 346
GLY A 348
GLY A 229
ILE A  88
LEU A 366
ALA A 351
 None
 1.44A 1x7pA-4x68A:
undetectable
1x7pB-4x68A:
undetectable		 1x7pA-4x68A:
21.11
1x7pB-4x68A:
21.11
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.
4xbo TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		6 THR A  79
GLY A 114
GLY A 119
ILE A 134
SER A 142
ALA A 148
 SAH  A 301 (-3.4A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.6A)
 0.77A 1x7pA-4xboA:
16.8
1x7pB-4xboA:
16.9		 1x7pA-4xboA:
24.20
1x7pB-4xboA:
24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xbo TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		6 THR A  79
GLY A 114
GLY A 119
SER A 142
LEU A 143
ALA A 148
 SAH  A 301 (-3.4A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.6A)
 0.75A 1x7pA-4xboA:
16.8
1x7pB-4xboA:
16.9		 1x7pA-4xboA:
24.20
1x7pB-4xboA:
24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xkj D-LACTATE
DEHYDROGENASE

(Sporolactobacillus
inulinus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 THR A 202
GLY A 157
LEU A 109
ALA A 107
ALA A 110
 None
 0.97A 1x7pA-4xkjA:
2.7
1x7pB-4xkjA:
undetectable		 1x7pA-4xkjA:
24.44
1x7pB-4xkjA:
24.44
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.
4z38 MLNA

(Bacillus
velezensis) 		no annotation 5 GLU A 379
GLY A 371
GLY A 351
ILE A 377
ALA A 373
 None
None
None
None
FMN  A 900 ( 3.8A)
 0.71A 1x7pA-4z38A:
undetectable
1x7pB-4z38A:
2.1		 1x7pA-4z38A:
20.21
1x7pB-4z38A:
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.
5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 7 GLY B 101
GLY B 106
ILE B 120
MET B 122
SER B 128
LEU B 129
ALA B 134
 MTA  B 401 (-3.2A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 ( 3.9A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.5A)
 0.77A 1x7pA-5co4B:
19.4
1x7pB-5co4B:
19.6		 1x7pA-5co4B:
26.07
1x7pB-5co4B:
26.07
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.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis) 		PF00144
(Beta-lactamase) 		6 THR A 311
GLY A 313
GLY A 196
ILE A  56
LEU A 331
ALA A 316
 None
 1.44A 1x7pA-5e2hA:
undetectable
1x7pB-5e2hA:
undetectable		 1x7pA-5e2hA:
24.66
1x7pB-5e2hA:
24.66
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.
5gmb TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Pseudomonas
aeruginosa) 		PF00588
(SpoU_methylase) 		5 THR A  79
GLY A 115
GLY A 120
LEU A 144
ALA A 149
 None
 0.59A 1x7pA-5gmbA:
18.4
1x7pB-5gmbA:
18.6		 1x7pA-5gmbA:
22.34
1x7pB-5gmbA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 GLU B  41
GLY B 321
GLY B 322
ALA B 305
ARG B  80
 None
 1.01A 1x7pA-5gq0B:
undetectable
1x7pB-5gq0B:
undetectable		 1x7pA-5gq0B:
20.81
1x7pB-5gq0B:
20.81
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.
5gra TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Zymomonas
mobilis) 		PF00588
(SpoU_methylase) 		5 THR A  81
GLY A 114
GLY A 119
LEU A 143
ALA A 148
 None
 0.75A 1x7pA-5graA:
17.8
1x7pB-5graA:
17.7		 1x7pA-5graA:
20.68
1x7pB-5graA:
20.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l0z PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Sinorhizobium
meliloti) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		7 THR A 212
GLY A 235
GLY A 240
ILE A 255
SER A 263
LEU A 264
ALA A 269
 SAM  A 304 (-3.7A)
SAM  A 304 (-3.2A)
SAM  A 304 (-3.4A)
SAM  A 304 (-3.9A)
SAM  A 304 (-3.1A)
SAM  A 304 (-3.8A)
SAM  A 304 (-3.6A)
 0.65A 1x7pA-5l0zA:
29.3
1x7pB-5l0zA:
29.5		 1x7pA-5l0zA:
32.67
1x7pB-5l0zA:
32.67
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.
5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC

(Arabidopsis
thaliana) 		no annotation 5 GLY A  18
GLY A  15
SER A 242
ALA A 247
ARG A 239
 None
NAD  A 401 (-3.3A)
NAD  A 401 ( 4.0A)
NAD  A 401 ( 3.7A)
None
 0.85A 1x7pA-5nueA:
undetectable
1x7pB-5nueA:
undetectable		 1x7pA-5nueA:
undetectable
1x7pB-5nueA:
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.
5ttk AMINE OXIDASE

(Pseudomonas
putida) 		PF01593
(Amino_oxidase) 		5 GLY A  65
GLY A  60
LEU A 449
ALA A 451
ALA A 473
 None
FAD  A 501 (-3.1A)
None
None
None
 1.03A 1x7pA-5ttkA:
2.6
1x7pB-5ttkA:
2.5		 1x7pA-5ttkA:
20.40
1x7pB-5ttkA:
20.40
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.
5u3c CTP SYNTHASE

(Escherichia
coli) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 GLY A  19
GLY A  17
ILE A   6
LEU A  25
ALA A  23
 ADP  A 602 ( 4.8A)
ADP  A 602 (-3.2A)
None
None
None
 1.01A 1x7pA-5u3cA:
3.0
1x7pB-5u3cA:
undetectable		 1x7pA-5u3cA:
19.96
1x7pB-5u3cA:
19.96
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.
5za2 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 6 THR A 318
GLY A 320
GLY A 202
ILE A  62
LEU A 338
ALA A 323
 EPE  A 405 (-4.1A)
None
None
None
None
None
 1.42A 1x7pA-5za2A:
undetectable
1x7pB-5za2A:
undetectable		 1x7pA-5za2A:
undetectable
1x7pB-5za2A:
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
 0.96A 1x7pA-6f9nA:
undetectable
1x7pB-6f9nA:
undetectable		 1x7pA-6f9nA:
undetectable
1x7pB-6f9nA:
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.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes) 		no annotation 6 THR A 316
GLY A 318
GLY A 200
ILE A  60
LEU A 336
ALA A 321
 None
SO4  A 403 (-3.5A)
None
None
None
None
 1.35A 1x7pA-6fm7A:
undetectable
1x7pB-6fm7A:
undetectable		 1x7pA-6fm7A:
undetectable
1x7pB-6fm7A:
undetectable