SIMILAR PATTERNS OF AMINO ACIDS FOR 3DCM_X_SAMX5452

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.
1a88 CHLOROPEROXIDASE L

(Streptomyces
lividans) 		PF00561
(Abhydrolase_1) 		6 ALA A 103
GLY A  94
GLY A  98
ILE A 214
VAL A 118
ALA A 117
 None
 1.41A 3dcmX-1a88A:
2.2		 3dcmX-1a88A:
19.57
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.
1cc1 HYDROGENASE (LARGE
SUBUNIT)

(Desulfomicrobium
baculatum) 		PF00374
(NiFeSe_Hases) 		5 THR L 405
GLY L 191
ILE L  99
ASN L 102
LEU L 103
 None
 0.97A 3dcmX-1cc1L:
undetectable		 3dcmX-1cc1L:
17.25
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.
1csj HEPATITIS C VIRUS
RNA POLYMERASE
(NS5B)

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 ALA A 174
LEU A  83
SER A  84
VAL A  85
ALA A  88
 None
 0.70A 3dcmX-1csjA:
undetectable		 3dcmX-1csjA:
17.26
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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 GLY A 307
ILE A 287
LEU A 302
SER A 303
ALA A 286
 None
 0.92A 3dcmX-1dabA:
undetectable		 3dcmX-1dabA:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dix EXTRACELLULAR
RIBONUCLEASE LE

(Solanum
lycopersicum) 		PF00445
(Ribonuclease_T2) 		6 ALA A 110
GLY A 182
ASN A 107
SER A 103
VAL A 104
ALA A 101
 None
 1.37A 3dcmX-1dixA:
undetectable		 3dcmX-1dixA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eyw PHOSPHOTRIESTERASE

(Brevundimonas
diminuta) 		PF02126
(PTE) 		6 ALA A 126
GLY A 162
GLY A 157
ILE A 124
LEU A 113
SER A 111
 None
 1.26A 3dcmX-1eywA:
2.4		 3dcmX-1eywA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f8f BENZYL ALCOHOL
DEHYDROGENASE

(Acinetobacter
calcoaceticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  75
GLY A  31
ILE A  26
SER A 151
VAL A  34
 None
 0.98A 3dcmX-1f8fA:
3.4		 3dcmX-1f8fA:
20.86
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.
1fc9 PHOTOSYSTEM II D1
PROTEASE

(Tetradesmus
obliquus) 		PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 THR A 394
GLY A 398
ILE A 312
LEU A 377
ALA A 378
 None
 0.93A 3dcmX-1fc9A:
undetectable		 3dcmX-1fc9A:
17.27
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.
1fiz BETA-ACROSIN HEAVY
CHAIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 THR A 190
GLY A 140
GLY A 142
ILE A 188
ALA A 158
 PBZ  A 308 (-3.4A)
None
None
None
None
 0.97A 3dcmX-1fizA:
undetectable		 3dcmX-1fizA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		6 GLY A 196
GLY A 201
ILE A 216
LEU A 225
VAL A 227
ALA A 230
 None
 0.86A 3dcmX-1gz0A:
12.7		 3dcmX-1gz0A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 GLY A 199
ILE A 216
LEU A 225
VAL A 227
ALA A 230
 None
 0.64A 3dcmX-1gz0A:
12.7		 3dcmX-1gz0A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		7 THR A 174
GLY A 196
GLY A 201
ILE A 233
LEU A 225
VAL A 227
ALA A 230
 None
 1.48A 3dcmX-1gz0A:
12.7		 3dcmX-1gz0A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iio CONSERVED
HYPOTHETICAL PROTEIN
MTH865

(Methanothermobacter
thermautotrophicus) 		PF07747
(MTH865) 		6 THR A  40
ALA A  51
GLY A  37
ILE A  13
LEU A  17
ALA A  16
 None
 1.22A 3dcmX-1iioA:
undetectable		 3dcmX-1iioA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ipa RNA 2'-O-RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 THR A 193
GLY A 215
GLY A 220
LEU A 244
VAL A 246
 None
 0.86A 3dcmX-1ipaA:
13.3		 3dcmX-1ipaA:
21.01
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.
1q1l CHORISMATE SYNTHASE

(Aquifex
aeolicus) 		PF01264
(Chorismate_synt) 		5 ALA A 262
GLY A 226
ILE A 260
VAL A 353
ALA A 356
 None
 0.85A 3dcmX-1q1lA:
undetectable		 3dcmX-1q1lA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		7 THR A  99
GLY A 122
GLY A 127
ILE A 142
LEU A 151
VAL A 153
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 (-4.0A)
SAM  A 400 (-3.9A)
SAM  A 400 (-3.5A)
 0.46A 3dcmX-1v2xA:
13.4		 3dcmX-1v2xA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		6 GLY A 218
GLY A 214
ILE A 190
LEU A 232
SER A 233
ALA A 237
 None
 1.17A 3dcmX-1w27A:
undetectable		 3dcmX-1w27A:
14.80
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		6 THR A 148
ALA A 244
GLY A 223
LEU A 246
ARG A  40
ALA A 250
 None
 1.07A 3dcmX-1woqA:
undetectable		 3dcmX-1woqA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x7p RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00588
(SpoU_methylase) 		6 THR A 210
GLY A 232
GLY A 237
ILE A 252
LEU A 261
ALA A 266
 SAM  A 301 (-3.6A)
SAM  A 301 (-3.2A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.0A)
SAM  A 301 (-4.1A)
SAM  A 301 (-3.4A)
 0.49A 3dcmX-1x7pA:
14.3		 3dcmX-1x7pA:
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.
1yjk PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE

(Rattus
norvegicus) 		PF01082
(Cu2_monooxygen)
PF03712
(Cu2_monoox_C) 		5 ALA A 350
GLY A 264
GLY A 252
ILE A 352
ASN A 351
 None
 0.97A 3dcmX-1yjkA:
undetectable		 3dcmX-1yjkA:
21.56
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.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		6 GLY A 126
GLY A 131
ILE A 163
LEU A 155
VAL A 157
ALA A 160
 GOL  A 529 (-4.0A)
GOL  A 530 (-3.7A)
None
None
GOL  A 529 (-3.7A)
GOL  A 529 (-3.6A)
 1.20A 3dcmX-1zjrA:
12.5		 3dcmX-1zjrA:
21.20
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.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		6 THR A 103
GLY A 126
ILE A 146
LEU A 155
VAL A 157
ALA A 160
 GOL  A 529 (-3.0A)
GOL  A 529 (-4.0A)
None
None
GOL  A 529 (-3.7A)
GOL  A 529 (-3.6A)
 0.59A 3dcmX-1zjrA:
12.5		 3dcmX-1zjrA:
21.20
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.
2eno SYNAPTOJANIN-2-BINDI
NG PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  95
GLY A  29
ASN A  76
LEU A  91
VAL A  89
 None
 0.96A 3dcmX-2enoA:
undetectable		 3dcmX-2enoA:
22.95
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.
2ha8 TAR (HIV-1) RNA LOOP
BINDING PROTEIN

(Homo sapiens) 		PF00588
(SpoU_methylase) 		5 GLY A 129
GLY A 134
ILE A 149
LEU A 158
VAL A 160
 SAH  A 401 (-3.1A)
SAH  A 401 (-3.2A)
SAH  A 401 (-3.8A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.6A)
 0.49A 3dcmX-2ha8A:
13.8		 3dcmX-2ha8A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i6d RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Porphyromonas
gingivalis) 		PF00588
(SpoU_methylase) 		6 GLY A 203
GLY A 208
ILE A 223
LEU A 237
VAL A 239
ALA A 242
 None
 0.34A 3dcmX-2i6dA:
12.5		 3dcmX-2i6dA:
21.84
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.
2i6d RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Porphyromonas
gingivalis) 		PF00588
(SpoU_methylase) 		6 GLY A 203
GLY A 208
ILE A 245
LEU A 237
VAL A 239
ALA A 242
 None
 1.44A 3dcmX-2i6dA:
12.5		 3dcmX-2i6dA:
21.84
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 186
GLY A 181
LEU A 162
SER A 163
ALA A 167
 None
 0.97A 3dcmX-2qaeA:
2.5		 3dcmX-2qaeA:
19.19
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.
2r6f EXCINUCLEASE ABC
SUBUNIT A

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		5 GLY A 901
GLY A 909
ILE A 884
SER A 639
VAL A 638
 None
 0.93A 3dcmX-2r6fA:
undetectable		 3dcmX-2r6fA:
11.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vaj NEURAL CELL ADHESION
MOLECULE 2

(Homo sapiens) 		PF07679
(I-set) 		5 ILE A  60
LEU A  12
SER A  13
VAL A  14
ALA A  63
 None
 0.95A 3dcmX-2vajA:
undetectable		 3dcmX-2vajA:
18.04
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.
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		6 ALA A 345
GLY A 163
LEU A 350
SER A 167
VAL A 166
ALA A 145
 None
 1.47A 3dcmX-2vn8A:
2.5		 3dcmX-2vn8A:
18.97
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.
2wzm ALDO-KETO REDUCTASE

(Mycolicibacterium
smegmatis) 		PF00248
(Aldo_ket_red) 		5 THR A  54
GLY A  59
LEU A  32
SER A  33
ALA A  37
 None
 0.94A 3dcmX-2wzmA:
2.0		 3dcmX-2wzmA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		6 THR A 549
ALA A 519
GLY A 553
GLY A 522
ILE A 518
VAL A 533
 None
None
None
WCC  A 811 (-3.6A)
None
None
 1.48A 3dcmX-3cf4A:
undetectable		 3dcmX-3cf4A:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3chx PMOB

(Methylosinus
trichosporium) 		PF04744
(Monooxygenase_B) 		5 GLY A 168
ILE A 164
LEU A  66
VAL A  68
ALA A 137
 None
 0.95A 3dcmX-3chxA:
undetectable		 3dcmX-3chxA:
18.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dcm UNCHARACTERIZED
PROTEIN TM_1570

(Thermotoga
maritima) 		PF09936
(Methyltrn_RNA_4) 		6 GLY X 141
ILE X 178
LEU X 170
SER X 171
VAL X 172
ALA X 175
 SAM  X5452 (-3.1A)
None
SAM  X5452 (-4.2A)
SAM  X5452 (-4.9A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.3A)
 1.22A 3dcmX-3dcmX:
38.2		 3dcmX-3dcmX:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dcm UNCHARACTERIZED
PROTEIN TM_1570

(Thermotoga
maritima) 		PF09936
(Methyltrn_RNA_4) 		11 THR X 111
ALA X 113
GLY X 141
GLY X 145
ILE X 161
ASN X 168
LEU X 170
SER X 171
VAL X 172
ARG X 173
ALA X 175
 SAM  X5452 (-3.9A)
SAM  X5452 (-3.5A)
SAM  X5452 (-3.1A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.9A)
SAM  X5452 (-4.2A)
SAM  X5452 (-4.9A)
SAM  X5452 (-3.7A)
SAM  X5452 ( 4.0A)
SAM  X5452 (-3.3A)
 0.00A 3dcmX-3dcmX:
38.2		 3dcmX-3dcmX:
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.
3e9k KYNURENINASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		5 ALA A 216
GLY A 240
GLY A 244
ILE A 158
VAL A 247
 None
 0.91A 3dcmX-3e9kA:
undetectable		 3dcmX-3e9kA:
15.70
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 ALA A 531
GLY A 500
SER A 457
VAL A 456
ALA A 454
 None
 0.94A 3dcmX-3ecqA:
3.1		 3dcmX-3ecqA:
7.62
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.
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida;
Pseudomonas
putida) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		5 ALA B 180
GLY A 377
ILE B 178
LEU B 183
ALA A 368
 None
 0.96A 3dcmX-3eqqB:
undetectable		 3dcmX-3eqqB:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ffh HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Listeria
innocua) 		PF00155
(Aminotran_1_2) 		5 ALA A  48
GLY A 225
GLY A  42
ILE A  50
SER A 228
 None
 0.94A 3dcmX-3ffhA:
undetectable		 3dcmX-3ffhA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE

(Streptomyces
cyaneus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		6 ALA A 197
GLY A 218
GLY A 223
ILE A 238
LEU A 247
VAL A 249
 SAM  A 270 (-3.8A)
SAM  A 270 (-2.9A)
None
SAM  A 270 (-3.5A)
SAM  A 270 (-4.4A)
SAM  A 270 ( 4.2A)
 0.69A 3dcmX-3gyqA:
14.5		 3dcmX-3gyqA:
23.27
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.
3hr8 PROTEIN RECA

(Thermotoga
maritima) 		PF00154
(RecA) 		5 ALA A 189
GLY A 138
ILE A  42
LEU A 142
VAL A  91
 None
 0.96A 3dcmX-3hr8A:
undetectable		 3dcmX-3hr8A:
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.
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
 0.74A 3dcmX-3ic6A:
13.2		 3dcmX-3ic6A:
22.94
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.
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		6 THR A  78
GLY A 111
GLY A 116
ILE A 131
LEU A 140
ALA A 145
 EDO  A 242 (-3.4A)
EDO  A 242 (-4.6A)
None
EDO  A 243 (-4.0A)
None
EDO  A 242 ( 3.7A)
 0.82A 3dcmX-3ilkA:
15.1		 3dcmX-3ilkA:
21.67
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.
3iwk AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		6 ALA A 414
GLY A 422
ILE A 411
LEU A 436
SER A 437
ALA A 439
 None
 1.40A 3dcmX-3iwkA:
3.1		 3dcmX-3iwkA:
18.50
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.
3jd5 28S RIBOSOMAL
PROTEIN S5,
MITOCHONDRIAL

(Bos taurus) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		5 ALA E 319
GLY E 199
ILE E 323
VAL E 245
ALA E 246
 None
 0.79A 3dcmX-3jd5E:
undetectable		 3dcmX-3jd5E:
18.06
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.
3kq4 GASTRIC INTRINSIC
FACTOR

(Homo sapiens) 		PF01122
(Cobalamin_bind)
PF14478
(DUF4430) 		5 ILE A 210
LEU A 233
SER A 234
VAL A 235
ALA A 232
 None
 0.96A 3dcmX-3kq4A:
undetectable		 3dcmX-3kq4A:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kty PROBABLE
METHYLTRANSFERASE

(Bordetella
pertussis) 		PF00588
(SpoU_methylase) 		6 GLY A 123
GLY A 128
ILE A 143
LEU A 152
VAL A 154
ALA A 157
 None
 0.83A 3dcmX-3ktyA:
16.1		 3dcmX-3ktyA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nix FLAVOPROTEIN/DEHYDRO
GENASE

(Cytophaga
hutchinsonii) 		PF01494
(FAD_binding_3) 		5 GLY A 315
GLY A 318
ILE A  33
SER A  22
VAL A  19
 None
 0.92A 3dcmX-3nixA:
undetectable		 3dcmX-3nixA:
17.34
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.
3nk7 23S RRNA
METHYLTRANSFERASE

(Streptomyces
actuosus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		5 GLY A 218
GLY A 223
ILE A 238
LEU A 247
VAL A 249
 SAM  A 770 (-3.0A)
SAM  A 770 (-3.4A)
SAM  A 770 (-3.8A)
SAM  A 770 (-4.5A)
SAM  A 770 (-3.7A)
 0.49A 3dcmX-3nk7A:
14.1		 3dcmX-3nk7A:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)

(Rhodobacter
sphaeroides) 		PF00588
(SpoU_methylase) 		5 THR A  80
ALA A  82
GLY A 116
GLY A 121
LEU A 145
 BME  A 251 ( 4.4A)
BME  A 251 (-3.8A)
ACY  A 250 (-4.5A)
ACY  A 250 (-3.5A)
BME  A 251 ( 3.9A)
 0.73A 3dcmX-3onpA:
14.2		 3dcmX-3onpA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pih UVRABC SYSTEM
PROTEIN A

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		5 GLY A 881
GLY A 889
ILE A 864
SER A 619
VAL A 618
 None
 0.93A 3dcmX-3pihA:
undetectable		 3dcmX-3pihA:
12.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qgh RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 ALA A 174
LEU A  83
SER A  84
VAL A  85
ALA A  88
 None
 0.74A 3dcmX-3qghA:
undetectable		 3dcmX-3qghA:
17.05
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.
3qgk UREASE SUBUNIT BETA
2

(Helicobacter
mustelae) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ALA C 289
GLY C 276
ILE C 294
SER C 297
ALA C 271
 None
 0.93A 3dcmX-3qgkC:
undetectable		 3dcmX-3qgkC:
15.70
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.
3r31 BETAINE ALDEHYDE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF00171
(Aldedh) 		5 ALA A  84
GLY A  77
GLY A 125
ILE A  86
ALA A 203
 None
 0.85A 3dcmX-3r31A:
undetectable		 3dcmX-3r31A:
17.65
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		5 THR A1182
GLY A1179
GLY A1149
ILE A1224
LEU A1200
 None
 0.91A 3dcmX-3sfzA:
undetectable		 3dcmX-3sfzA:
9.97
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.
3ue9 ADENYLOSUCCINATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF00709
(Adenylsucc_synt) 		5 ALA A 255
GLY A 274
LEU A 269
VAL A  14
ARG A  12
 None
 0.86A 3dcmX-3ue9A:
2.4		 3dcmX-3ue9A:
17.91
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.
3ux8 EXCINUCLEASE ABC, A
SUBUNIT

(Geobacillus sp.
Y412MC52) 		PF00005
(ABC_tran) 		5 GLY A 901
GLY A 909
ILE A 884
SER A 639
VAL A 638
 None
 0.95A 3dcmX-3ux8A:
undetectable		 3dcmX-3ux8A:
15.20
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.
3voo FATTY ACID
ALPHA-HYDROXYLASE

(Sphingomonas
paucimobilis) 		PF00067
(p450) 		6 GLY A  81
ILE A 197
LEU A 236
VAL A 234
ARG A 186
ALA A 233
 None
 1.39A 3dcmX-3vooA:
undetectable		 3dcmX-3vooA:
18.28
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.
3wz2 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09754
(PAC2) 		5 GLY A  27
GLY A 180
ILE A 153
LEU A 175
ALA A 114
 None
 0.80A 3dcmX-3wz2A:
undetectable		 3dcmX-3wz2A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		5 GLY A 918
GLY A 926
ILE A 901
SER A 656
VAL A 655
 None
 0.92A 3dcmX-3zqjA:
undetectable		 3dcmX-3zqjA:
11.62
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.
4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Mycobacterium
tuberculosis) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 GLY A 347
ILE A 339
SER A 324
VAL A 325
ALA A 328
 None
 0.97A 3dcmX-4a1oA:
undetectable		 3dcmX-4a1oA:
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.
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)
 0.54A 3dcmX-4cngA:
15.6		 3dcmX-4cngA:
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.
4cng SPOU RRNA METHYLASE

(Sulfolobus
acidocaldarius) 		PF00588
(SpoU_methylase) 		6 THR A  77
GLY A 111
GLY A 116
ILE A 131
SER A 143
ALA A 145
 SAH  A1157 (-3.6A)
SAH  A1157 (-3.1A)
SAH  A1157 ( 3.2A)
SAH  A1157 (-3.6A)
None
SAH  A1157 ( 3.7A)
 1.24A 3dcmX-4cngA:
15.6		 3dcmX-4cngA:
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.
4dgj ENTEROPEPTIDASE
CATALYTIC LIGHT
CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 130
GLY A 132
ILE A 180
SER A   5
ALA A 147
 None
 0.74A 3dcmX-4dgjA:
undetectable		 3dcmX-4dgjA:
17.48
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.
4dwd MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 232
ASN A 200
SER A 203
VAL A 204
ALA A 207
 CL  A 503 (-3.5A)
None
None
None
None
 0.95A 3dcmX-4dwdA:
2.1		 3dcmX-4dwdA:
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.
4jcr ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Listeria
monocytogenes) 		PF00574
(CLP_protease) 		5 GLY A  85
LEU A 168
SER A 169
VAL A 170
ALA A 173
 None
 0.95A 3dcmX-4jcrA:
undetectable		 3dcmX-4jcrA:
24.40
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.
4jcr ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Listeria
monocytogenes) 		PF00574
(CLP_protease) 		5 GLY A  87
LEU A 168
SER A 169
VAL A 170
ALA A 173
 None
 0.55A 3dcmX-4jcrA:
undetectable		 3dcmX-4jcrA:
24.40
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.
4lj2 CHORISMATE SYNTHASE

(Acinetobacter
baumannii) 		PF01264
(Chorismate_synt) 		6 ALA A 239
GLY A 204
ILE A 237
ASN A 238
VAL A 326
ALA A 328
 None
 0.95A 3dcmX-4lj2A:
undetectable		 3dcmX-4lj2A:
21.13
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.
4n8g TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens) 		PF03480
(DctP) 		5 ALA A  94
ILE A  93
ASN A  92
LEU A 245
VAL A 149
 None
 0.95A 3dcmX-4n8gA:
undetectable		 3dcmX-4n8gA:
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.
4och ENDONUCLEASE MUTS2

(Deinococcus
radiodurans) 		PF01713
(Smr) 		5 GLY A 728
LEU A 695
SER A 696
VAL A 697
ALA A 700
 None
 0.52A 3dcmX-4ochA:
undetectable		 3dcmX-4ochA:
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.
4pyr PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Chromobacterium
violaceum) 		PF04348
(LppC) 		5 ALA A 167
GLY A 172
LEU A 157
VAL A 155
ALA A 158
 None
 0.94A 3dcmX-4pyrA:
undetectable		 3dcmX-4pyrA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ri2 PHOTOSYSTEM II 22
KDA PROTEIN,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00504
(Chloroa_b-bind) 		5 ALA A 195
GLY A  41
GLY A 145
ILE A 197
VAL A  43
 None
None
None
None
BNG  A 302 (-4.2A)
 0.97A 3dcmX-4ri2A:
undetectable		 3dcmX-4ri2A:
21.62
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.
4ucw HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA

(Desulfovibrio
fructosivorans) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 ALA A 116
GLY A 119
ILE A 144
ASN A 143
SER A 249
 None
None
None
None
F3S  A1266 ( 4.0A)
 0.91A 3dcmX-4ucwA:
undetectable		 3dcmX-4ucwA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wgk NEUTRAL CERAMIDASE

(Homo sapiens) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		5 THR A 654
GLY A 656
GLY A 678
LEU A 766
SER A 767
 None
 0.89A 3dcmX-4wgkA:
undetectable		 3dcmX-4wgkA:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wyr ACETYL-COA
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		6 GLY A 113
GLY A  54
ILE A 101
SER A  96
VAL A  95
ALA A  98
 None
 1.27A 3dcmX-4wyrA:
undetectable		 3dcmX-4wyrA:
22.04
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.
4xbo TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		7 THR A  79
ALA A  81
GLY A 114
GLY A 119
ILE A 134
LEU A 143
ALA A 148
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.6A)
 0.52A 3dcmX-4xboA:
15.8		 3dcmX-4xboA:
21.60
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.
4xgm MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 3

(Homo sapiens) 		PF16953
(PRORP) 		5 ALA A 284
GLY A 289
ILE A 251
VAL A 260
ALA A 263
 None
 0.98A 3dcmX-4xgmA:
2.3		 3dcmX-4xgmA:
18.52
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.
4ybq SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5

(Rattus
norvegicus) 		PF00083
(Sugar_tr) 		5 ALA A 354
GLY A 291
ILE A 356
LEU A 352
ALA A 445
 None
 0.91A 3dcmX-4ybqA:
undetectable		 3dcmX-4ybqA:
17.56
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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLY A 321
ILE A 175
SER A 180
VAL A 181
ALA A 183
 None
 0.79A 3dcmX-4yrpA:
undetectable		 3dcmX-4yrpA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 ALA A 531
GLY A 500
SER A 457
VAL A 456
ALA A 454
 None
 0.93A 3dcmX-5a55A:
undetectable		 3dcmX-5a55A:
10.71
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.
5agt LEUCINE--TRNA LIGASE

(Mycobacterium
tuberculosis) 		PF13603
(tRNA-synt_1_2) 		5 THR A 341
ASN A 488
SER A 491
VAL A 492
ALA A 495
 A2H  A1514 (-3.6A)
None
None
None
None
 0.97A 3dcmX-5agtA:
undetectable		 3dcmX-5agtA:
26.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 6 ALA B  81
GLY B 101
GLY B 106
ILE B 120
LEU B 129
ALA B 134
 MTA  B 401 (-3.7A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.5A)
 0.53A 3dcmX-5co4B:
14.0		 3dcmX-5co4B:
24.04
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.
5fyn PUUMALA VIRUS GN
GLYCOPROTEIN

(Puumala
orthohantavirus) 		PF01567
(Hanta_G1) 		5 GLY A 372
GLY A 289
ILE A 268
LEU A 280
SER A 281
 None
 0.96A 3dcmX-5fynA:
undetectable		 3dcmX-5fynA:
20.11
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.
5gmb TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Pseudomonas
aeruginosa) 		PF00588
(SpoU_methylase) 		7 THR A  79
ALA A  81
GLY A 115
GLY A 120
ILE A 135
LEU A 144
ALA A 149
 None
 0.73A 3dcmX-5gmbA:
15.3		 3dcmX-5gmbA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbm CELL SURFACE CU-ONLY
SUPEROXIDE DISMUTASE
5

(Candida
albicans) 		PF00080
(Sod_Cu) 		6 ALA A 115
GLY A 112
ILE A 121
ASN A 120
VAL A 151
ARG A 159
 None
None
None
None
CU1  A 201 ( 4.4A)
None
 1.47A 3dcmX-5kbmA:
undetectable		 3dcmX-5kbmA:
20.19
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.
5l0z PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Sinorhizobium
meliloti) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		6 THR A 212
GLY A 235
GLY A 240
ILE A 255
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 (-3.8A)
SAM  A 304 (-3.6A)
 0.47A 3dcmX-5l0zA:
13.8		 3dcmX-5l0zA:
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.
5lcx (-)-ISOPIPERITENONE
REDUCTASE

(Mentha x
piperita) 		PF00106
(adh_short) 		5 GLY A  16
LEU A 280
SER A 281
VAL A 282
ALA A 285
 NAP  A 400 (-3.5A)
None
None
None
None
 0.68A 3dcmX-5lcxA:
3.8		 3dcmX-5lcxA:
21.54
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.
5nus P34

(Chaetomium
thermophilum) 		no annotation 5 GLY A 199
ILE A 153
LEU A  24
SER A  23
ALA A 202
 None
 0.97A 3dcmX-5nusA:
3.5		 3dcmX-5nusA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wjc KINETOCHORE PROTEIN
MIS16

(Schizosaccharomyces
pombe) 		no annotation 5 GLY A 201
GLY A 185
ILE A 284
ASN A 285
VAL A 241
 None
 0.93A 3dcmX-5wjcA:
undetectable		 3dcmX-5wjcA:
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.
5x5h CYSTATHIONINE
BETA-LYASES/CYSTATHI
ONINE
GAMMA-SYNTHASES

(Corynebacterium
glutamicum) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A  78
GLY A  56
SER A 240
VAL A 241
ALA A 244
 None
 0.89A 3dcmX-5x5hA:
undetectable		 3dcmX-5x5hA:
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.
5xmj SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT

(Desulfovibrio
gigas) 		no annotation 6 ALA B 164
GLY B 155
SER B 175
VAL B 174
ARG B 178
ALA B 173
 None
SF4  B 302 ( 4.9A)
None
SF4  B 302 (-4.8A)
None
F3S  B 301 ( 3.9A)
 1.43A 3dcmX-5xmjB:
undetectable		 3dcmX-5xmjB:
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.
5xum HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE

(Thermotoga
maritima) 		no annotation 5 ALA A  51
GLY A  44
ILE A   7
LEU A 104
SER A  94
 None
 0.81A 3dcmX-5xumA:
undetectable		 3dcmX-5xumA:
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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 195
GLY A 190
LEU A 171
SER A 172
ALA A 176
 None
 0.97A 3dcmX-6aonA:
undetectable		 3dcmX-6aonA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 195
ILE A 179
LEU A 171
SER A 172
ALA A 176
 None
 0.93A 3dcmX-6aonA:
undetectable		 3dcmX-6aonA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c4q POLYKETIDE SYNTHASE
PKS13

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A  62
LEU A  73
SER A  74
VAL A  75
ALA A  78
 None
None
None
None
MPD  A 201 ( 3.9A)
 0.88A 3dcmX-6c4qA:
undetectable		 3dcmX-6c4qA:
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.
6ck9 GP41 ECTODOMAIN OF
ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 ALA B 533
GLY B 521
GLY B 524
LEU B 537
VAL B 539
 None
 0.96A 3dcmX-6ck9B:
undetectable		 3dcmX-6ck9B:
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.
6d8j POLYKETIDE SYNTHASE

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A  62
LEU A  73
SER A  74
VAL A  75
ALA A  78
 PG4  A 106 ( 3.7A)
None
EDO  A 107 (-3.8A)
None
PG4  A 106 ( 3.5A)
 0.84A 3dcmX-6d8jA:
undetectable		 3dcmX-6d8jA:
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
 1.42A 3dcmX-6fm7A:
undetectable		 3dcmX-6fm7A:
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.
6fri ALKANAL
MONOOXYGENASE BETA
CHAIN

(Photobacterium
leiognathi) 		no annotation 5 ILE A 141
ASN A 138
LEU A 137
VAL A  86
ALA A  89
 None
 0.94A 3dcmX-6friA:
undetectable		 3dcmX-6friA:
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 1,
MITOCHONDRIAL

(Mus musculus) 		no annotation 5 GLY F 260
ILE F 343
LEU F 295
VAL F 297
ALA F 296
 None
 0.96A 3dcmX-6g2jF:
undetectable		 3dcmX-6g2jF:
undetectable