SIMILAR PATTERNS OF AMINO ACIDS FOR 2DM6_A_IMNA1401

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.
1ad3 ALDEHYDE
DEHYDROGENASE (CLASS
3)

(Rattus
norvegicus) 		PF00171
(Aldedh) 		5 ILE A 351
ALA A 350
ILE A 373
GLU A 379
ILE A 377
 None
 1.33A 2dm6A-1ad3A:
5.1
2dm6B-1ad3A:
5.1		 2dm6A-1ad3A:
23.06
2dm6B-1ad3A:
23.06
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.
1aug PYROGLUTAMYL
PEPTIDASE-1

(Bacillus
amyloliquefaciens) 		PF01470
(Peptidase_C15) 		5 ILE A 189
ALA A  24
ILE A 195
PRO A 132
ILE A 126
 None
 1.31A 2dm6A-1augA:
undetectable
2dm6B-1augA:
undetectable		 2dm6A-1augA:
22.09
2dm6B-1augA:
22.09
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.
1gmm CBM6

(Ruminiclostridium
thermocellum) 		PF03422
(CBM_6) 		5 TYR A  40
ILE A  32
PRO A 118
GLU A  36
ILE A  35
 None
None
NA  A1131 (-4.5A)
None
NA  A1131 (-4.1A)
 1.37A 2dm6A-1gmmA:
undetectable
2dm6B-1gmmA:
undetectable		 2dm6A-1gmmA:
15.64
2dm6B-1gmmA:
15.64
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.
1k1x 4-ALPHA-GLUCANOTRANS
FERASE

(Thermococcus
litoralis) 		PF03065
(Glyco_hydro_57)
PF09094
(DUF1925)
PF09095
(DUF1926) 		5 ILE A 364
ALA A 355
TYR A 320
ILE A 634
PRO A 437
 None
 1.31A 2dm6A-1k1xA:
undetectable
2dm6B-1k1xA:
undetectable		 2dm6A-1k1xA:
20.27
2dm6B-1k1xA:
20.27
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.
1k25 LOW-AFFINITY
PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 TYR A 262
ALA A 624
ILE A 480
PRO A 682
ILE A 657
 None
 1.34A 2dm6A-1k25A:
undetectable
2dm6B-1k25A:
undetectable		 2dm6A-1k25A:
19.21
2dm6B-1k25A:
19.21
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.
1ln0 INTRON-ASSOCIATED
ENDONUCLEASE 1

(Escherichia
virus T4) 		PF01541
(GIY-YIG) 		5 TYR A   6
ILE A  60
ILE A  71
GLU A  63
ILE A  64
 None
 1.04A 2dm6A-1ln0A:
undetectable
2dm6B-1ln0A:
undetectable		 2dm6A-1ln0A:
14.89
2dm6B-1ln0A:
14.89
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.
1m32 2-AMINOETHYLPHOSPHON
ATE-PYRUVATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00266
(Aminotran_5) 		5 TYR A 109
ALA A 121
ILE A 135
PRO A 130
ILE A 132
 None
 1.30A 2dm6A-1m32A:
5.0
2dm6B-1m32A:
5.2		 2dm6A-1m32A:
24.32
2dm6B-1m32A:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nf2 PHOSPHATASE

(Thermotoga
maritima) 		PF08282
(Hydrolase_3) 		5 TYR A 105
ILE A 106
ILE A 184
PRO A  85
ILE A  83
 None
 0.93A 2dm6A-1nf2A:
4.1
2dm6B-1nf2A:
undetectable		 2dm6A-1nf2A:
23.01
2dm6B-1nf2A:
23.01
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.
1q1p EPITHELIAL-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		5 TYR A  74
ILE A  75
ILE A   7
GLU A  93
ILE A  94
 None
 1.19A 2dm6A-1q1pA:
undetectable
2dm6B-1q1pA:
undetectable		 2dm6A-1q1pA:
23.56
2dm6B-1q1pA:
23.56
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPG-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00117
(GATase) 		5 TYR B  15
ILE B  17
ALA B  18
ILE B  31
ILE B   7
 None
 1.25A 2dm6A-1qdlB:
3.7
2dm6B-1qdlB:
3.7		 2dm6A-1qdlB:
21.79
2dm6B-1qdlB:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tp7 GENOME POLYPROTEIN

(Rhinovirus A) 		PF00680
(RdRP_1) 		5 ILE A 427
ILE A 400
PRO A 392
ILE A 396
TYR A 397
 None
 1.13A 2dm6A-1tp7A:
undetectable
2dm6B-1tp7A:
undetectable		 2dm6A-1tp7A:
21.69
2dm6B-1tp7A:
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.
1ued P450 MONOOXYGENASE

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 ILE A 121
ALA A 360
PRO A 126
GLU A 125
ILE A 128
 None
 1.18A 2dm6A-1uedA:
undetectable
2dm6B-1uedA:
undetectable		 2dm6A-1uedA:
22.82
2dm6B-1uedA:
22.82
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.
1uwy CARBOXYPEPTIDASE M

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 TYR A  82
ILE A 102
PRO A 106
ILE A 104
TYR A  61
 None
 1.17A 2dm6A-1uwyA:
undetectable
2dm6B-1uwyA:
undetectable		 2dm6A-1uwyA:
21.76
2dm6B-1uwyA:
21.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v3t LEUKOTRIENE B4
12-HYDROXYDEHYDROGEN
ASE/PROSTAGLANDIN
15-KETO REDUCTASE

(Cavia porcellus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 TYR A  49
ILE A  52
ALA A  53
TYR A 245
ILE A 271
 None
None
None
NAP  A1350 (-4.8A)
NAP  A1350 (-4.6A)
 0.38A 2dm6A-1v3tA:
53.9
2dm6B-1v3tA:
54.5		 2dm6A-1v3tA:
100.00
2dm6B-1v3tA:
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.
1vg0 RAB PROTEINS
GERANYLGERANYLTRANSF
ERASE COMPONENT A 1

(Rattus
norvegicus) 		PF00996
(GDI) 		5 ILE A 338
ALA A 339
ILE A 471
PRO A 272
ILE A 260
 None
None
None
GER  A 952 (-4.2A)
None
 1.25A 2dm6A-1vg0A:
undetectable
2dm6B-1vg0A:
undetectable		 2dm6A-1vg0A:
19.40
2dm6B-1vg0A:
19.40
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.
1wih MITOCHONDRIAL
RIBOSOME RECYCLING
FACTOR

(Mus musculus) 		PF01765
(RRF) 		5 ILE A  54
ALA A  53
ILE A  28
PRO A  73
ILE A  36
 None
 1.11A 2dm6A-1wihA:
undetectable
2dm6B-1wihA:
undetectable		 2dm6A-1wihA:
12.75
2dm6B-1wihA:
12.75
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.
1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A  56
ALA A  98
ILE A  38
PRO A  84
GLU A  54
 None
 1.18A 2dm6A-1wl4A:
undetectable
2dm6B-1wl4A:
undetectable		 2dm6A-1wl4A:
24.05
2dm6B-1wl4A:
24.05
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.
1xhl SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY MEMBER
(5L265), PUTATIVE
TROPINONE
REDUCTASE-II

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		5 ILE A  25
ILE A 236
PRO A 230
GLU A 231
ILE A 233
 None
 1.31A 2dm6A-1xhlA:
7.7
2dm6B-1xhlA:
7.8		 2dm6A-1xhlA:
21.78
2dm6B-1xhlA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 TYR A 612
ILE A 614
ILE A 732
PRO A 706
ILE A 708
 None
 1.38A 2dm6A-1z8lA:
2.3
2dm6B-1z8lA:
undetectable		 2dm6A-1z8lA:
19.08
2dm6B-1z8lA:
19.08
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.
2c4b BARNASE MCOEETI
FUSION

(Bacillus
amyloliquefaciens;
Ecballium
elaterium;
Momordica
cochinchinensis) 		PF00299
(Squash)
PF00545
(Ribonuclease) 		5 TYR A  13
TYR A  24
ILE A  96
ILE A  88
TYR A  90
 None
 1.39A 2dm6A-2c4bA:
undetectable
2dm6B-2c4bA:
undetectable		 2dm6A-2c4bA:
20.43
2dm6B-2c4bA:
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.
2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE

(Pyrococcus
horikoshii) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ILE A 359
ALA A 360
ILE A 352
PRO A 333
ILE A 335
 None
 1.38A 2dm6A-2dvmA:
6.5
2dm6B-2dvmA:
6.6		 2dm6A-2dvmA:
24.56
2dm6B-2dvmA:
24.56
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.
2dzd PYRUVATE CARBOXYLASE

(Geobacillus
thermodenitrificans) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 TYR A 289
ILE A 291
ILE A 260
GLU A 280
ILE A 214
 None
 1.38A 2dm6A-2dzdA:
4.9
2dm6B-2dzdA:
5.1		 2dm6A-2dzdA:
22.65
2dm6B-2dzdA:
22.65
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.
2egu CYSTEINE SYNTHASE

(Geobacillus
kaustophilus) 		PF00291
(PALP) 		5 TYR A  32
ILE A 261
PRO A 292
GLU A  36
ILE A 291
 None
 1.20A 2dm6A-2eguA:
3.6
2dm6B-2eguA:
3.6		 2dm6A-2eguA:
24.65
2dm6B-2eguA:
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.
2f5m RIBONUCLEASE

(Bacillus
amyloliquefaciens) 		PF00545
(Ribonuclease) 		5 TYR A  11
TYR A  22
ILE A  94
ILE A  86
TYR A  88
 None
 1.35A 2dm6A-2f5mA:
undetectable
2dm6B-2f5mA:
undetectable		 2dm6A-2f5mA:
20.73
2dm6B-2f5mA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		5 TYR A 155
ILE A  82
ALA A 153
ILE A 307
ILE A 335
 None
 1.31A 2dm6A-2gj4A:
3.3
2dm6B-2gj4A:
3.4		 2dm6A-2gj4A:
18.31
2dm6B-2gj4A:
18.31
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.
2ihs CG2944-PF, ISOFORM F

(Drosophila
melanogaster) 		PF00622
(SPRY) 		5 ILE A 203
ALA A 204
ILE A 195
ILE A  41
TYR A 200
 None
 1.36A 2dm6A-2ihsA:
undetectable
2dm6B-2ihsA:
undetectable		 2dm6A-2ihsA:
22.94
2dm6B-2ihsA:
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.
2j5b TYROSYL-TRNA
SYNTHETASE

(Acanthamoeba
polyphaga
mimivirus) 		PF00579
(tRNA-synt_1b) 		5 ILE A 194
ALA A 193
ILE A 179
GLU A  16
ILE A 206
 ILE  A 194 ( 0.7A)
ALA  A 193 ( 0.0A)
ILE  A 179 ( 0.7A)
GLU  A  16 ( 0.6A)
ILE  A 206 ( 0.6A)
 1.35A 2dm6A-2j5bA:
2.1
2dm6B-2j5bA:
2.2		 2dm6A-2j5bA:
22.45
2dm6B-2j5bA:
22.45
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.
2m6b FULL-LENGTH
TRANSMEMBRANE
DOMAINS OF HUMAN
GLYCINE RECEPTOR
ALPHA1 SUBUNIT

(Homo sapiens) 		PF02932
(Neur_chan_memb) 		5 ILE A 285
ALA A 282
ILE A 225
ILE A 417
TYR A 228
 None
 1.16A 2dm6A-2m6bA:
undetectable
2dm6B-2m6bA:
undetectable		 2dm6A-2m6bA:
18.36
2dm6B-2m6bA:
18.36
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.
2mjl PEPTIDYL-TRNA
HYDROLASE

(Vibrio cholerae) 		PF01195
(Pept_tRNA_hydro) 		5 ILE A  87
ALA A  82
PRO A   5
GLU A  91
ILE A   6
 None
 1.04A 2dm6A-2mjlA:
undetectable
2dm6B-2mjlA:
undetectable		 2dm6A-2mjlA:
22.56
2dm6B-2mjlA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2osa N-CHIMAERIN

(Homo sapiens) 		PF00620
(RhoGAP) 		5 ALA A 318
TYR A 266
ILE A 338
GLU A 313
ILE A 312
 None
 1.35A 2dm6A-2osaA:
undetectable
2dm6B-2osaA:
undetectable		 2dm6A-2osaA:
20.90
2dm6B-2osaA:
20.90
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.
2qfv ISOCITRATE
DEHYDROGENASE [NADP]

(Saccharomyces
cerevisiae) 		PF00180
(Iso_dh) 		5 TYR A  68
ILE A  65
ALA A  64
GLU A 306
ILE A  72
 None
 1.05A 2dm6A-2qfvA:
undetectable
2dm6B-2qfvA:
undetectable		 2dm6A-2qfvA:
22.53
2dm6B-2qfvA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyt 2-DEHYDROPANTOATE
2-REDUCTASE

(Porphyromonas
gingivalis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ILE A  40
ALA A  41
ARG A  42
PRO A 102
ILE A 100
 None
SO4  A 316 (-3.6A)
None
None
None
 1.39A 2dm6A-2qytA:
5.8
2dm6B-2qytA:
6.0		 2dm6A-2qytA:
21.21
2dm6B-2qytA:
21.21
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.
2vsi 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF01128
(IspD) 		5 TYR A   3
ILE A  49
ARG A  75
ILE A 127
ILE A 123
 None
 1.34A 2dm6A-2vsiA:
undetectable
2dm6B-2vsiA:
2.5		 2dm6A-2vsiA:
20.17
2dm6B-2vsiA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbk TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		5 TYR B 373
ILE B 377
ARG B  37
ILE B 430
ILE B 420
 None
 1.16A 2dm6A-2zbkB:
undetectable
2dm6B-2zbkB:
undetectable		 2dm6A-2zbkB:
20.30
2dm6B-2zbkB:
20.30
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.
3ce9 GLYCEROL
DEHYDROGENASE

(Clostridium
acetobutylicum) 		PF13685
(Fe-ADH_2) 		5 ILE A 169
PRO A 161
GLU A 162
ILE A 165
TYR A 166
 None
EDO  A 401 (-4.9A)
None
None
None
 1.32A 2dm6A-3ce9A:
4.7
2dm6B-3ce9A:
4.7		 2dm6A-3ce9A:
23.00
2dm6B-3ce9A:
23.00
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.
3cng NUDIX HYDROLASE

(Nitrosomonas
europaea) 		PF00293
(NUDIX)
PF14803
(Nudix_N_2) 		5 ILE A  58
ALA A  59
ARG A  56
GLU A 129
ILE A 128
 None
None
None
NA  A 512 ( 4.2A)
None
 1.37A 2dm6A-3cngA:
undetectable
2dm6B-3cngA:
undetectable		 2dm6A-3cngA:
20.24
2dm6B-3cngA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8j COPROPORPHYRINOGEN
III OXIDASE

(Leishmania
naiffi) 		PF01218
(Coprogen_oxidas) 		5 ILE A 215
TYR A 214
ILE A  50
GLU A  26
ILE A  56
 None
 1.30A 2dm6A-3e8jA:
undetectable
2dm6B-3e8jA:
undetectable		 2dm6A-3e8jA:
23.70
2dm6B-3e8jA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h2t BASEPLATE STRUCTURAL
PROTEIN GP6

(Escherichia
virus T4) 		no annotation 5 ALA A 559
ILE A 555
GLU A 565
ILE A 609
TYR A 590
 None
 1.20A 2dm6A-3h2tA:
undetectable
2dm6B-3h2tA:
undetectable		 2dm6A-3h2tA:
22.46
2dm6B-3h2tA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igh UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
horikoshii) 		PF07969
(Amidohydro_3) 		5 TYR X 148
ILE X 147
ALA X 155
ILE X 118
ILE X 119
 None
 1.02A 2dm6A-3ighX:
undetectable
2dm6B-3ighX:
undetectable		 2dm6A-3ighX:
21.66
2dm6B-3ighX:
21.66
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.
3ii7 KELCH-LIKE PROTEIN 7

(Homo sapiens) 		PF01344
(Kelch_1) 		5 ILE A 545
ALA A 563
ILE A 571
PRO A 311
ILE A 295
 None
 1.31A 2dm6A-3ii7A:
undetectable
2dm6B-3ii7A:
undetectable		 2dm6A-3ii7A:
23.89
2dm6B-3ii7A:
23.89
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.
3jd5 28S RIBOSOMAL
PROTEIN S22,
MITOCHONDRIAL

(Bos taurus) 		no annotation 5 TYR a 348
ALA a 347
ILE a 285
GLU a 342
ILE a 341
 None
 1.37A 2dm6A-3jd5a:
undetectable
2dm6B-3jd5a:
undetectable		 2dm6A-3jd5a:
20.10
2dm6B-3jd5a:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k5s CADHERIN-13

(Gallus gallus) 		PF00028
(Cadherin) 		5 TYR A 112
ALA A 209
ILE A 170
GLU A 190
ILE A 213
 TYR  A 112 ( 1.3A)
ALA  A 209 ( 0.0A)
ILE  A 170 ( 0.7A)
GLU  A 190 ( 0.5A)
ILE  A 213 ( 0.7A)
 1.34A 2dm6A-3k5sA:
undetectable
2dm6B-3k5sA:
undetectable		 2dm6A-3k5sA:
19.02
2dm6B-3k5sA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kiz PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Cytophaga
hutchinsonii) 		PF02769
(AIRS_C) 		5 ILE A 357
ALA A 358
ILE A  94
GLU A 273
ILE A 275
 None
None
None
None
EDO  A 397 ( 4.8A)
 1.24A 2dm6A-3kizA:
undetectable
2dm6B-3kizA:
undetectable		 2dm6A-3kizA:
20.00
2dm6B-3kizA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzh PROBABLE SUGAR
KINASE

(Clostridium
perfringens) 		PF00294
(PfkB) 		5 ILE A 195
ALA A 173
ILE A 224
PRO A 200
ILE A 201
 None
 1.25A 2dm6A-3kzhA:
4.9
2dm6B-3kzhA:
4.5		 2dm6A-3kzhA:
22.22
2dm6B-3kzhA:
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.
3m49 TRANSKETOLASE

(Bacillus
anthracis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ILE A   5
ILE A  13
GLU A   6
ILE A  10
TYR A  40
 FMT  A 718 ( 4.3A)
None
None
None
None
 1.16A 2dm6A-3m49A:
2.7
2dm6B-3m49A:
2.8		 2dm6A-3m49A:
19.49
2dm6B-3m49A:
19.49
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.
3mca ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		5 ILE A 587
ALA A 565
ILE A 553
GLU A 501
ILE A 502
 None
 1.23A 2dm6A-3mcaA:
undetectable
2dm6B-3mcaA:
undetectable		 2dm6A-3mcaA:
19.17
2dm6B-3mcaA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3myv SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 TYR A 255
ALA A 253
GLU A 388
ILE A 389
TYR A 364
 EDO  A 509 (-4.7A)
None
EDO  A 519 ( 4.9A)
None
None
 1.24A 2dm6A-3myvA:
undetectable
2dm6B-3myvA:
undetectable		 2dm6A-3myvA:
20.86
2dm6B-3myvA:
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.
3n2b DIAMINOPIMELATE
DECARBOXYLASE

(Vibrio cholerae) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ILE A 174
ALA A 179
ILE A 147
PRO A 129
GLU A 128
 None
 0.83A 2dm6A-3n2bA:
undetectable
2dm6B-3n2bA:
undetectable		 2dm6A-3n2bA:
21.52
2dm6B-3n2bA:
21.52
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.
3ntd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Shewanella
loihica) 		PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A 299
ILE A 298
ALA A 297
ILE A   6
ILE A   7
 None
None
None
None
FAD  A 900 ( 4.8A)
 1.27A 2dm6A-3ntdA:
3.3
2dm6B-3ntdA:
3.7		 2dm6A-3ntdA:
23.10
2dm6B-3ntdA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nv3 GALECTIN 9 SHORT
ISOFORM VARIANT

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 ILE A 232
ALA A 233
ILE A 278
GLU A 311
ILE A 224
 None
 1.38A 2dm6A-3nv3A:
undetectable
2dm6B-3nv3A:
undetectable		 2dm6A-3nv3A:
17.37
2dm6B-3nv3A:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p0u NUCLEAR RECEPTOR
SUBFAMILY 2 GROUP C
MEMBER 2

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 TYR A 513
ILE A 517
ALA A 516
ILE A 506
ILE A 562
 None
 1.27A 2dm6A-3p0uA:
undetectable
2dm6B-3p0uA:
undetectable		 2dm6A-3p0uA:
23.41
2dm6B-3p0uA:
23.41
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.
3q3f RIBONUCLEASE/UBIQUIT
IN CHIMERIC PROTEIN

(Bacillus
amyloliquefaciens;
Homo sapiens) 		PF00240
(ubiquitin)
PF00545
(Ribonuclease) 		5 TYR A  13
TYR A  24
ILE A  96
ILE A  88
TYR A  90
 None
 1.38A 2dm6A-3q3fA:
undetectable
2dm6B-3q3fA:
undetectable		 2dm6A-3q3fA:
18.90
2dm6B-3q3fA:
18.90
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.
3r69 NA(+)/H(+) EXCHANGE
REGULATORY COFACTOR
NHE-RF3, SCAVENGER
RECEPTOR CLASS B
MEMBER 1

(Mus musculus) 		PF00595
(PDZ) 		5 TYR A 253
ILE A 268
PRO A 273
GLU A 272
ILE A 271
 None
 1.30A 2dm6A-3r69A:
undetectable
2dm6B-3r69A:
undetectable		 2dm6A-3r69A:
14.94
2dm6B-3r69A:
14.94
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.
3szb ALDEHYDE
DEHYDROGENASE

(Homo sapiens) 		PF00171
(Aldedh) 		5 ILE A 351
ALA A 350
ILE A 373
GLU A 379
ILE A 377
 None
 1.35A 2dm6A-3szbA:
4.9
2dm6B-3szbA:
4.8		 2dm6A-3szbA:
21.04
2dm6B-3szbA:
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.
3tu6 PSEUDOAZURIN (BLUE
COPPER PROTEIN)

(Sinorhizobium
meliloti) 		PF00127
(Copper-bind) 		5 TYR A  76
ALA A  51
TYR A  78
ILE A 123
ILE A 119
 None
 1.31A 2dm6A-3tu6A:
undetectable
2dm6B-3tu6A:
undetectable		 2dm6A-3tu6A:
19.82
2dm6B-3tu6A:
19.82
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.
3v3t CELL DIVISION GTPASE
FTSZ, DIVERGED

(Clostridium
botulinum) 		PF00091
(Tubulin) 		5 ILE A  80
ALA A  78
ILE A  52
PRO A   9
ILE A  33
 None
 1.38A 2dm6A-3v3tA:
7.2
2dm6B-3v3tA:
7.3		 2dm6A-3v3tA:
23.56
2dm6B-3v3tA:
23.56
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.
3vot L-AMINO ACID LIGASE,
BL00235

(Bacillus
licheniformis) 		PF13535
(ATP-grasp_4) 		5 TYR A 224
TYR A 238
ILE A 252
GLU A 273
ILE A 208
 None
None
None
CA  A 503 ( 2.6A)
None
 1.21A 2dm6A-3votA:
5.1
2dm6B-3votA:
5.0		 2dm6A-3votA:
20.70
2dm6B-3votA:
20.70
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.
3vu1 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0242

(Pyrococcus
horikoshii) 		no annotation 5 TYR A 961
ILE A 820
ALA A 822
ILE A 763
ILE A 735
 None
 1.22A 2dm6A-3vu1A:
undetectable
2dm6B-3vu1A:
undetectable		 2dm6A-3vu1A:
22.14
2dm6B-3vu1A:
22.14
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.
4ayn FACTOR H-BINDING
PROTEIN

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		5 ILE A 273
ALA A 261
ILE A 316
ILE A 299
TYR A 233
 None
 1.38A 2dm6A-4aynA:
undetectable
2dm6B-4aynA:
undetectable		 2dm6A-4aynA:
21.97
2dm6B-4aynA:
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.
4be9 STEROL ESTERASE

(Ophiostoma
piceae) 		PF00135
(COesterase) 		5 TYR A 521
ILE A 520
TYR A 480
ILE A 527
ILE A 506
 None
 1.28A 2dm6A-4be9A:
undetectable
2dm6B-4be9A:
undetectable		 2dm6A-4be9A:
22.35
2dm6B-4be9A:
22.35
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.
4bru ATP-DEPENDENT RNA
HELICASE DHH1

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 TYR A 261
ILE A 406
ALA A 407
ILE A 258
ILE A 371
 None
 1.13A 2dm6A-4bruA:
2.7
2dm6B-4bruA:
2.7		 2dm6A-4bruA:
23.20
2dm6B-4bruA:
23.20
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.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 TYR A 116
ILE A 194
ALA A 193
ILE A 148
GLU A 202
 None
 1.01A 2dm6A-4c2tA:
undetectable
2dm6B-4c2tA:
2.0		 2dm6A-4c2tA:
17.53
2dm6B-4c2tA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cok PYRUVATE
DECARBOXYLASE

(Gluconacetobacter
diazotrophicus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A  16
ALA A  14
ILE A  97
PRO A  93
ILE A  95
 None
 1.25A 2dm6A-4cokA:
undetectable
2dm6B-4cokA:
undetectable		 2dm6A-4cokA:
21.37
2dm6B-4cokA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g68 ABC TRANSPORTER

(Caldanaerobius) 		PF01547
(SBP_bac_1) 		5 TYR B 261
ALA B 180
ILE B 283
PRO B 158
ILE B 145
 None
 1.27A 2dm6A-4g68B:
undetectable
2dm6B-4g68B:
undetectable		 2dm6A-4g68B:
22.42
2dm6B-4g68B:
22.42
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.
4hzu PREDICTED MEMBRANE
PROTEIN

(Lactobacillus
brevis) 		PF07155
(ECF-ribofla_trS) 		5 TYR S  45
ILE S  49
ALA S  48
PRO S 157
ILE S 154
 None
 1.35A 2dm6A-4hzuS:
undetectable
2dm6B-4hzuS:
undetectable		 2dm6A-4hzuS:
21.65
2dm6B-4hzuS:
21.65
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.
4jcn GLUTAMYL
ENDOPEPTIDASE

(Staphylococcus
epidermidis) 		PF13365
(Trypsin_2) 		5 ILE A 162
ALA A 161
ILE A 183
PRO A 277
ILE A 279
 None
 1.07A 2dm6A-4jcnA:
undetectable
2dm6B-4jcnA:
undetectable		 2dm6A-4jcnA:
19.25
2dm6B-4jcnA:
19.25
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.
4jwo PHOSPHATE BINDING
PROTEIN

(Planctopirus
limnophila) 		PF12727
(PBP_like) 		5 TYR A 318
ALA A 137
PRO A 268
GLU A 272
ILE A 271
 None
None
PEG  A 406 (-4.1A)
None
None
 1.39A 2dm6A-4jwoA:
undetectable
2dm6B-4jwoA:
undetectable		 2dm6A-4jwoA:
23.99
2dm6B-4jwoA:
23.99
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.
4l52 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7,
TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1 CHIMERA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ARG A 477
TYR A 488
ILE A 223
PRO A 258
ILE A 259
 None
 1.28A 2dm6A-4l52A:
undetectable
2dm6B-4l52A:
undetectable		 2dm6A-4l52A:
21.86
2dm6B-4l52A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lde CAMELID ANTIBODY
FRAGMENT
LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Escherichia
virus T4;
Homo sapiens;
Lama glama) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
PF07686
(V-set) 		5 ILE B 103
ALA B 102
TYR A1219
ILE A1072
ILE A1127
 None
 1.08A 2dm6A-4ldeB:
undetectable
2dm6B-4ldeB:
undetectable		 2dm6A-4ldeB:
18.93
2dm6B-4ldeB:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lx4 ENDOGLUCANASE(ENDO-1
,4-BETA-GLUCANASE)PR
OTEIN

(Pseudomonas
stutzeri) 		PF00150
(Cellulase) 		5 ILE A 296
ALA A 295
ILE A  55
ILE A  52
TYR A  47
 None
 1.14A 2dm6A-4lx4A:
undetectable
2dm6B-4lx4A:
undetectable		 2dm6A-4lx4A:
19.78
2dm6B-4lx4A:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4npc SORBITOL
DEHYDROGENASE

(Brucella suis) 		PF13561
(adh_short_C2) 		5 TYR A 163
ILE A 157
ALA A 152
ILE A 109
GLU A 158
 None
 1.30A 2dm6A-4npcA:
9.4
2dm6B-4npcA:
9.1		 2dm6A-4npcA:
24.21
2dm6B-4npcA:
24.21
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.
4o99 ACETYL-COA
ACETYLTRANSFERASE

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A  52
ALA A  94
ILE A  34
PRO A  80
GLU A  50
 None
 1.39A 2dm6A-4o99A:
undetectable
2dm6B-4o99A:
undetectable		 2dm6A-4o99A:
23.47
2dm6B-4o99A:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pd4 CYTOCHROME B

(Saccharomyces
cerevisiae) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 ILE C 281
ALA C 280
TYR C 359
ILE C 125
ILE C 299
 None
None
None
AOQ  C4003 ( 4.4A)
AOQ  C4003 (-4.6A)
 0.96A 2dm6A-4pd4C:
undetectable
2dm6B-4pd4C:
undetectable		 2dm6A-4pd4C:
21.78
2dm6B-4pd4C:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qgk FATTY ALDEHYDE
DEHYDROGENASE

(Homo sapiens) 		PF00171
(Aldedh) 		5 ILE A 349
ALA A 348
ILE A 371
GLU A 377
ILE A 375
 None
 1.35A 2dm6A-4qgkA:
2.6
2dm6B-4qgkA:
4.6		 2dm6A-4qgkA:
21.67
2dm6B-4qgkA:
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.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 5 TYR H 287
ILE H 289
ILE H 258
GLU H 278
ILE H 212
 None
 1.35A 2dm6A-4qslH:
5.3
2dm6B-4qslH:
5.4		 2dm6A-4qslH:
13.80
2dm6B-4qslH:
13.80
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.
4rhe 3-OCTAPRENYL-4-HYDRO
XYBENZOATE
CARBOXY-LYASE

(Colwellia
psychrerythraea) 		PF02441
(Flavoprotein) 		5 ALA A  22
ILE A  78
GLU A  27
ILE A  30
TYR A  71
 None
 0.79A 2dm6A-4rheA:
4.7
2dm6B-4rheA:
5.1		 2dm6A-4rheA:
22.33
2dm6B-4rheA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v36 LYSYL-TRNA-DEPENDENT
L-YSYL-PHOSPHATIDYLG
YCEROL SYNTHASE

(Bacillus
licheniformis) 		PF09924
(DUF2156) 		5 ILE A 635
ALA A 634
ILE A 738
GLU A 735
ILE A 736
 None
 1.31A 2dm6A-4v36A:
undetectable
2dm6B-4v36A:
undetectable		 2dm6A-4v36A:
24.40
2dm6B-4v36A:
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.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE

(Bacillus
licheniformis) 		PF01019
(G_glu_transpept) 		5 TYR A 431
ILE A 245
ALA A 244
ILE A 228
ILE A  87
 None
 1.25A 2dm6A-4y23A:
undetectable
2dm6B-4y23A:
undetectable		 2dm6A-4y23A:
21.27
2dm6B-4y23A:
21.27
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.
4ym3 GALECTIN-4

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 ILE A 233
ALA A 234
ILE A 278
GLU A 311
ILE A 223
 None
 1.40A 2dm6A-4ym3A:
undetectable
2dm6B-4ym3A:
undetectable		 2dm6A-4ym3A:
18.64
2dm6B-4ym3A:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
BETA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF02775
(TPP_enzyme_C)
PF12367
(PFO_beta_C) 		5 ILE B 179
ALA B 182
ILE B  33
GLU B  24
ILE B  28
 None
 1.16A 2dm6A-5b47B:
3.5
2dm6B-5b47B:
3.6		 2dm6A-5b47B:
25.89
2dm6B-5b47B:
25.89
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.
5ed1 DOUBLE-STRANDED
RNA-SPECIFIC EDITASE
1

(Homo sapiens) 		PF02137
(A_deamin) 		5 TYR A 668
ALA A 671
ILE A 528
ILE A 540
TYR A 541
 IHP  A 801 (-4.8A)
None
None
None
None
 1.30A 2dm6A-5ed1A:
undetectable
2dm6B-5ed1A:
undetectable		 2dm6A-5ed1A:
23.08
2dm6B-5ed1A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g2x GROUP II
INTRON-ENCODED
PROTEIN LTRA

(Lactococcus
lactis) 		PF00078
(RVT_1)
PF01348
(Intron_maturas2) 		5 ILE C 439
ARG C 537
TYR C 443
ILE C 398
ILE C 394
 None
 1.30A 2dm6A-5g2xC:
undetectable
2dm6B-5g2xC:
undetectable		 2dm6A-5g2xC:
19.62
2dm6B-5g2xC:
19.62
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.
5irr SEPTIN-LIKE PROTEIN

(Chlamydomonas
reinhardtii) 		PF00735
(Septin) 		5 TYR A 247
ILE A 243
ILE A 295
PRO A 289
ILE A 291
 None
 1.20A 2dm6A-5irrA:
2.3
2dm6B-5irrA:
undetectable		 2dm6A-5irrA:
22.16
2dm6B-5irrA:
22.16
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.
5lgg ANAPHASE-PROMOTING
COMPLEX SUBUNIT
1,ANAPHASE-PROMOTING
COMPLEX SUBUNIT
1,ANAPHASE-PROMOTING
COMPLEX SUBUNIT
1,ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ILE A 609
ALA A  14
ILE A 584
PRO A 590
ILE A 587
 None
 1.28A 2dm6A-5lggA:
undetectable
2dm6B-5lggA:
undetectable		 2dm6A-5lggA:
21.87
2dm6B-5lggA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzn HELICASE
SEN1,HELICASE SEN1

(Saccharomyces
cerevisiae) 		PF13086
(AAA_11)
PF13087
(AAA_12) 		5 ILE A1702
ALA A1856
ILE A1726
GLU A1721
ILE A1722
 EDO  A2029 (-3.2A)
None
EDO  A2009 ( 3.9A)
EDO  A2029 (-2.7A)
None
 1.38A 2dm6A-5mznA:
3.3
2dm6B-5mznA:
3.2		 2dm6A-5mznA:
17.88
2dm6B-5mznA:
17.88
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.
5n03 GLUTACONATE
COA-TRANSFERASE
FAMILY, SUBUNIT B

(Myxococcus
xanthus) 		no annotation 5 ILE D  37
ALA D  36
ILE D 231
PRO D  65
ILE D 234
 None
 1.26A 2dm6A-5n03D:
6.0
2dm6B-5n03D:
6.3		 2dm6A-5n03D:
23.94
2dm6B-5n03D:
23.94
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.
5n7z LIPOPOLYSACCHARIDE
1,6-GALACTOSYLTRANSF
ERASE

(Salmonella
enterica) 		no annotation 5 ILE A 114
ALA A 134
ILE A 353
PRO A  87
ILE A  89
 None
 1.38A 2dm6A-5n7zA:
4.6
2dm6B-5n7zA:
3.9		 2dm6A-5n7zA:
15.00
2dm6B-5n7zA:
15.00
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.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 620
ILE A 594
PRO A 577
GLU A 615
ILE A 579
 None
 1.40A 2dm6A-5nd5A:
2.8
2dm6B-5nd5A:
2.9		 2dm6A-5nd5A:
19.57
2dm6B-5nd5A:
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 TYR T2859
ALA T2908
TYR T2916
ILE T2880
ILE T2877
 None
 1.33A 2dm6A-5ojsT:
undetectable
2dm6B-5ojsT:
undetectable		 2dm6A-5ojsT:
6.18
2dm6B-5ojsT:
6.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 ILE A 433
ALA A 493
ILE A 485
ILE A 437
TYR A 520
 None
 1.38A 2dm6A-5t9gA:
undetectable
2dm6B-5t9gA:
undetectable		 2dm6A-5t9gA:
18.04
2dm6B-5t9gA:
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.
5u9z PHOSPHOGLYCEROL
TRANSFERASE

(Streptococcus
pyogenes) 		no annotation 5 ILE A 795
ALA A 794
ILE A 802
GLU A 776
TYR A 462
 None
 1.25A 2dm6A-5u9zA:
undetectable
2dm6B-5u9zA:
undetectable		 2dm6A-5u9zA:
12.91
2dm6B-5u9zA:
12.91
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.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 TYR A 283
ILE A 285
ILE A 254
GLU A 274
ILE A 208
 None
 1.37A 2dm6A-5vywA:
undetectable
2dm6B-5vywA:
5.5		 2dm6A-5vywA:
14.93
2dm6B-5vywA:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wfc HISTONE-LYSINE-N-MET
HYLTRANSFERASE EZH2,
POLYCOMB PROTEIN
SUZ12 CHIMERA

(Chaetomium
thermophilum) 		no annotation 5 ILE B 824
ALA B 794
ILE B 908
PRO B 889
ILE B 887
 None
 1.37A 2dm6A-5wfcB:
undetectable
2dm6B-5wfcB:
undetectable		 2dm6A-5wfcB:
17.58
2dm6B-5wfcB:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x8j THYMIDYLATE KINASE

(Thermus
thermophilus) 		no annotation 5 ARG A  21
ILE A 189
PRO A 181
GLU A 182
ILE A 185
 None
 1.30A 2dm6A-5x8jA:
undetectable
2dm6B-5x8jA:
undetectable		 2dm6A-5x8jA:
14.81
2dm6B-5x8jA:
14.81
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.
5xua METHYL-ACCEPTING
CHEMOTAXIS SENSORY
TRANSDUCER

(Comamonas
testosteroni) 		no annotation 5 ARG A 135
ILE A  68
PRO A 117
GLU A 116
ILE A 115
 None
 1.15A 2dm6A-5xuaA:
undetectable
2dm6B-5xuaA:
undetectable		 2dm6A-5xuaA:
14.11
2dm6B-5xuaA:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yh1 -

(-) 		no annotation 5 ILE A 575
ARG A 398
ILE A 517
GLU A 576
ILE A 581
 None
 1.20A 2dm6A-5yh1A:
undetectable
2dm6B-5yh1A:
2.2		 2dm6A-5yh1A:
undetectable
2dm6B-5yh1A:
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.
6avh GH3.15 ACYL ACID
AMIDO SYNTHETASE

(Arabidopsis
thaliana) 		no annotation 5 TYR A  44
ILE A  74
PRO A  82
GLU A  81
ILE A  77
 None
 1.35A 2dm6A-6avhA:
undetectable
2dm6B-6avhA:
undetectable		 2dm6A-6avhA:
13.31
2dm6B-6avhA:
13.31
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.
6c8q NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Enterococcus
faecalis) 		no annotation 5 ALA A 234
ILE A   8
PRO A  16
GLU A 240
ILE A   9
 None
 0.99A 2dm6A-6c8qA:
undetectable
2dm6B-6c8qA:
undetectable		 2dm6A-6c8qA:
15.61
2dm6B-6c8qA:
15.61
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2

(Saccharomyces
cerevisiae) 		no annotation 5 ILE B 366
ALA B 359
ILE B 205
GLU B 208
ILE B 206
 None
 1.11A 2dm6A-6f42B:
undetectable
2dm6B-6f42B:
undetectable		 2dm6A-6f42B:
14.29
2dm6B-6f42B:
14.29
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.
6fnw VOLUME-REGULATED
ANION CHANNEL
SUBUNIT LRRC8A

(Mus musculus) 		no annotation 5 TYR A 653
ILE A 674
ALA A 652
ILE A 632
ILE A 658
 None
 1.33A 2dm6A-6fnwA:
undetectable
2dm6B-6fnwA:
undetectable		 2dm6A-6fnwA:
16.32
2dm6B-6fnwA:
16.32