SIMILAR PATTERNS OF AMINO ACIDS FOR 2ADM_A_SAMA500_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d2e ELONGATION FACTOR TU
(EF-TU)

(Bos taurus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLU A 353
ALA A 354
ILE A 138
ASP A 403
PHE A 422
 None
 1.27A 2admA-1d2eA:
undetectable		 2admA-1d2eA:
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.
1dxe 2-DEHYDRO-3-DEOXY-GA
LACTARATE ALDOLASE

(Escherichia
coli) 		PF03328
(HpcH_HpaI) 		5 ALA A 235
PRO A 177
ILE A  21
ALA A 223
ASP A  42
 None
PO4  A 301 (-3.9A)
None
None
None
 1.19A 2admA-1dxeA:
undetectable		 2admA-1dxeA:
19.48
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.
1eyp CHALCONE-FLAVONONE
ISOMERASE 1

(Medicago sativa) 		PF02431
(Chalcone) 		5 GLU A  55
ALA A  58
ILE A  84
ASP A  83
PHE A  29
 None
 1.26A 2admA-1eypA:
undetectable		 2admA-1eypA:
20.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g38 MODIFICATION
METHYLASE TAQI

(Thermus
aquaticus) 		PF07669
(Eco57I)
PF12950
(TaqI_C) 		11 THR A  23
GLU A  45
ALA A  47
PRO A  52
GLU A  71
ILE A  72
ASP A  73
ALA A  76
ASP A  89
PRO A 107
PHE A 146
 None
None
NEA  A 500 (-3.1A)
None
NEA  A 500 (-2.8A)
NEA  A 500 (-3.8A)
None
NEA  A 500 ( 3.7A)
NEA  A 500 (-3.4A)
NEA  A 500 (-3.8A)
None
 0.28A 2admA-1g38A:
54.5		 2admA-1g38A:
99.75
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 GLU A 276
ALA A 277
PRO A 249
ALA A 280
PHE A 233
 None
 1.23A 2admA-1loxA:
undetectable		 2admA-1loxA:
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		6 THR A  29
ILE A  79
ASP A  80
ALA A  83
ASP A 100
PHE A 128
 None
 0.76A 2admA-1ne2A:
6.5		 2admA-1ne2A:
17.41
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.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		5 GLU A  43
GLU A  66
ASP A  68
ASP A  91
PRO A 115
 None
 0.74A 2admA-1qyrA:
11.8		 2admA-1qyrA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r0l 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Zymomonas
mobilis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ALA A 320
ASP A 372
ALA A 327
ASP A 367
PRO A 359
 None
 1.19A 2admA-1r0lA:
5.2		 2admA-1r0lA:
24.78
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.
1ve1 O-ACETYLSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 GLU A 200
ALA A 198
PRO A 201
ALA A 270
ASP A 235
 None
 1.27A 2admA-1ve1A:
2.0		 2admA-1ve1A:
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		6 GLU A  79
ASP A  81
ALA A  84
ASP A 105
PRO A 121
PHE A 133
 SAH  A1001 (-2.8A)
None
SAH  A1001 ( 4.8A)
SAH  A1001 (-3.2A)
None
SAH  A1001 (-4.7A)
 0.73A 2admA-1wy7A:
6.8		 2admA-1wy7A:
19.76
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.
1z14 VP2

(Rodent
protoparvovirus
1) 		PF00740
(Parvo_coat) 		5 THR A 454
ALA A 360
ILE A 362
ASP A 367
ALA A 370
 None
 1.33A 2admA-1z14A:
undetectable		 2admA-1z14A:
21.53
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.
2bep UBIQUITIN-CONJUGATIN
G ENZYME E2-25 KDA

(Bos taurus) 		PF00179
(UQ_con) 		5 ALA A 145
ILE A  79
ALA A 153
PRO A  50
PHE A 141
 None
 1.26A 2admA-2bepA:
undetectable		 2admA-2bepA:
16.16
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.
2cwl MANGANESE-FREE
PSEUDOCATALASE

(Thermus
thermophilus) 		PF05067
(Mn_catalase) 		5 GLU A  94
ALA A 279
GLU A 280
ALA A 121
PRO A 103
 None
 1.22A 2admA-2cwlA:
undetectable		 2admA-2cwlA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE
GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli;
Escherichia
coli) 		PF01019
(G_glu_transpept)
PF01019
(G_glu_transpept) 		5 GLU A 249
ALA A 252
ILE A 262
ALA B 420
ASP A 266
 None
 1.32A 2admA-2e0xA:
undetectable		 2admA-2e0xA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f8l HYPOTHETICAL PROTEIN
LMO1582

(Listeria
monocytogenes) 		PF02384
(N6_Mtase) 		5 ALA A 126
ASP A 156
ASP A 180
PRO A 198
PHE A 226
 SAM  A 400 (-3.4A)
None
SAM  A 400 (-3.4A)
SAM  A 400 (-3.8A)
SAM  A 400 (-4.9A)
 0.59A 2admA-2f8lA:
19.9		 2admA-2f8lA:
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.
2f8l HYPOTHETICAL PROTEIN
LMO1582

(Listeria
monocytogenes) 		PF02384
(N6_Mtase) 		5 THR A  98
ALA A 126
ASP A 180
PRO A 198
PHE A 226
 SAM  A 400 (-3.8A)
SAM  A 400 (-3.4A)
SAM  A 400 (-3.4A)
SAM  A 400 (-3.8A)
SAM  A 400 (-4.9A)
 1.06A 2admA-2f8lA:
19.9		 2admA-2f8lA:
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 339
PRO A 369
GLU A 355
PRO A 229
PHE A 230
 None
 1.31A 2admA-2gp6A:
undetectable		 2admA-2gp6A:
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.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		5 GLU A  60
GLU A  85
ASP A  87
ASP A 113
PHE A 142
 None
None
None
ZN  A 306 ( 4.7A)
None
 0.66A 2admA-2gpyA:
11.6		 2admA-2gpyA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hls PROTEIN DISULFIDE
OXIDOREDUCTASE

(Aeropyrum
pernix) 		PF13192
(Thioredoxin_3) 		5 GLU A 107
ALA A 104
PRO A 154
ASP A   8
ASP A  44
 None
 1.31A 2admA-2hlsA:
undetectable		 2admA-2hlsA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ho5 OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
pneumoniae) 		PF01408
(GFO_IDH_MocA) 		5 GLU A 280
ALA A 120
GLU A 118
ALA A  95
ASP A 302
 None
 1.34A 2admA-2ho5A:
4.8		 2admA-2ho5A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hro PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
carnosus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 GLU A 313
ALA A 317
PRO A 309
ALA A 377
PRO A 279
 None
 1.35A 2admA-2hroA:
undetectable		 2admA-2hroA:
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.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		5 GLU A  40
ASP A  42
ALA A  45
ASP A  60
PRO A  80
 SAH  A 328 (-2.8A)
None
SAH  A 328 ( 4.8A)
SAH  A 328 (-3.6A)
SAH  A 328 (-4.0A)
 0.64A 2admA-2i9kA:
4.1		 2admA-2i9kA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j42 C2 TOXIN
COMPONENT-II

(Clostridium
botulinum) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		5 THR A 515
ALA A 488
ILE A 585
ALA A 523
ASP A 555
 None
 1.34A 2admA-2j42A:
undetectable		 2admA-2j42A:
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.
2kyf PARVALBUMIN, THYMIC
CPV3

(Gallus gallus) 		PF13499
(EF-hand_7) 		5 GLU A 100
ALA A  99
ILE A  58
ALA A  89
ASP A  51
 None
None
None
None
CA  A 109 (-3.1A)
 1.33A 2admA-2kyfA:
undetectable		 2admA-2kyfA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mx9 MINOR AMPULLATE
SPIDROIN

(Araneus
ventricosus) 		PF16763
(Spidroin_N) 		5 THR A 105
ALA A 111
GLU A 115
ALA A  71
PRO A   7
 None
 1.17A 2admA-2mx9A:
undetectable		 2admA-2mx9A:
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.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 THR A 154
ALA A 178
ASP A 243
PRO A 261
PHE A 288
 SAM  A 500 (-3.6A)
SAM  A 500 (-3.4A)
SAM  A 500 (-3.3A)
SAM  A 500 (-4.1A)
SAM  A 500 (-4.8A)
 1.06A 2admA-2okcA:
20.7		 2admA-2okcA:
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.
2pnc COPPER AMINE
OXIDASE, LIVER
ISOZYME

(Bos taurus) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 THR A 656
GLU A 139
ALA A 342
PRO A 169
PHE A 128
 None
 1.26A 2admA-2pncA:
undetectable		 2admA-2pncA:
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.
2pwq UBIQUITIN
CONJUGATING ENZYME

(Plasmodium
yoelii) 		PF00179
(UQ_con) 		5 ALA A 140
ILE A  74
ALA A 148
PRO A  45
PHE A 136
 None
 1.23A 2admA-2pwqA:
undetectable		 2admA-2pwqA:
17.97
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.
2q7s N-FORMYLGLUTAMATE
AMIDOHYDROLASE

(Cupriavidus
pinatubonensis) 		PF05013
(FGase) 		5 GLU A  53
ILE A  81
ALA A  74
PRO A  37
PHE A  40
 None
 1.28A 2admA-2q7sA:
undetectable		 2admA-2q7sA:
23.82
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.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 THR A 588
ALA A 643
PRO A 600
ALA A 982
PHE A 651
 None
 0.97A 2admA-2qf7A:
undetectable		 2admA-2qf7A:
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.
2v3c SIGNAL RECOGNITION
54 KDA PROTEIN

(Methanocaldococcus
jannaschii) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		5 THR C 116
GLU C 214
ILE C 241
ASP C 213
PHE C 234
 None
 1.30A 2admA-2v3cC:
undetectable		 2admA-2v3cC:
22.50
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.
2vws YFAU, 2-KETO-3-DEOXY
SUGAR ALDOLASE

(Escherichia
coli) 		PF03328
(HpcH_HpaI) 		5 ALA A 235
PRO A 177
ILE A  20
ALA A 223
ASP A  41
 None
 1.30A 2admA-2vwsA:
undetectable		 2admA-2vwsA:
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.
2w4g MYOSIN HEAVY CHAIN,
SKELETAL MUSCLE,
ADULT

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 THR M 186
ALA M 225
ILE M 340
ASP M 220
PRO M 227
 None
 1.10A 2admA-2w4gM:
undetectable		 2admA-2w4gM:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 338
PRO A 368
GLU A 354
PRO A 229
PHE A 230
 None
None
NA  A1426 (-3.2A)
None
None
 1.29A 2admA-2wgeA:
undetectable		 2admA-2wgeA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x4l FERRIC-SIDEROPHORE
RECEPTOR PROTEIN

(Streptomyces
coelicolor) 		PF01497
(Peripla_BP_2) 		5 GLU A 340
ALA A 341
ILE A 223
ALA A 216
ASP A 285
 None
 1.33A 2admA-2x4lA:
undetectable		 2admA-2x4lA:
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.
2y7c TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN

(Escherichia
coli) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 THR B 151
ALA B 175
GLU B 216
PRO B 268
PHE B 292
 None
 0.88A 2admA-2y7cB:
19.3		 2admA-2y7cB:
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		5 GLU A 262
ASP A 264
ASP A 288
PRO A 307
PHE A 322
 SAH  A 376 (-2.7A)
None
SAH  A 376 (-4.1A)
SAH  A 376 ( 4.3A)
None
 0.96A 2admA-2zwvA:
11.9		 2admA-2zwvA:
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.
3afe HYDROXYLASE,
PUTATIVE

(Mycobacterium
tuberculosis) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 THR A 347
ALA A 255
GLU A 258
PRO A 354
PHE A 358
 None
 1.25A 2admA-3afeA:
undetectable		 2admA-3afeA:
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.
3e96 DIHYDRODIPICOLINATE
SYNTHASE

(Bacillus
clausii) 		PF00701
(DHDPS) 		5 ALA A 223
GLU A 197
ILE A 245
ALA A 196
ASP A 244
 None
 1.11A 2admA-3e96A:
undetectable		 2admA-3e96A:
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.
3efe THIJ/PFPI FAMILY
PROTEIN

(Bacillus
anthracis) 		PF01965
(DJ-1_PfpI) 		5 THR A 113
GLU A  18
ALA A 166
ALA A 171
PRO A 152
 None
 1.27A 2admA-3efeA:
undetectable		 2admA-3efeA:
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		5 GLU A 627
ALA A 625
ASP A 644
PRO A1194
PHE A1054
 None
 0.94A 2admA-3egwA:
3.8		 2admA-3egwA:
16.71
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.
3f92 UBIQUITIN-CONJUGATIN
G ENZYME E2 K

(Homo sapiens) 		PF00179
(UQ_con)
PF00627
(UBA) 		5 ALA A 145
ILE A  79
ALA A 153
PRO A  50
PHE A 141
 None
 1.24A 2admA-3f92A:
undetectable		 2admA-3f92A:
20.99
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.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		6 GLU A  36
GLU A  59
ILE A  60
ASP A  61
ASP A  84
PRO A 103
 None
 0.50A 2admA-3fydA:
13.2		 2admA-3fydA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		6 GLU A  29
ILE A  30
ASP A  31
ALA A  34
ASP A  51
PRO A  78
 None
 0.70A 2admA-3g7uA:
9.6		 2admA-3g7uA:
23.04
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.
3gdh TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 THR A 673
ILE A 720
ASP A 721
ASP A 747
PRO A 765
 SAH  A 854 (-4.5A)
SAH  A 854 (-3.6A)
None
SAH  A 854 (-3.6A)
SAH  A 854 (-3.8A)
 1.13A 2admA-3gdhA:
10.6		 2admA-3gdhA:
21.90
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		6 GLU A  36
GLU A  59
ILE A  60
ASP A  61
ASP A  84
PRO A 103
 SAM  A 300 (-4.4A)
SAM  A 300 (-2.8A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-3.7A)
SAM  A 300 (-3.8A)
 0.40A 2admA-3gryA:
14.4		 2admA-3gryA:
24.53
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 ALA A  59
ILE A  61
ASP A  62
ALA A  65
ASP A  83
 None
 1.33A 2admA-3gvcA:
5.9		 2admA-3gvcA:
19.68
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.
3p1v METALLO-ENDOPEPTIDAS
E

(Bacteroides
ovatus) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		5 PRO A 118
GLU A 275
ILE A 176
ASP A 177
ALA A  58
 None
K  A 428 (-3.2A)
None
K  A 428 (-3.3A)
K  A 428 (-4.5A)
 1.31A 2admA-3p1vA:
undetectable		 2admA-3p1vA:
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.
3pmk NUCLEOCAPSID PROTEIN

(Recombinant
vesicular
stomatitis
Indiana virus
rVSV-G/GFP) 		PF00945
(Rhabdo_ncap) 		5 THR A 230
ALA A 296
ASP A 256
ALA A 255
PRO A 295
 None
 1.34A 2admA-3pmkA:
undetectable		 2admA-3pmkA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qbd 3-DEHYDROQUINATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF01761
(DHQ_synthase) 		5 GLU A 256
ALA A 267
ILE A 181
ALA A 185
ASP A 178
 None
 1.34A 2admA-3qbdA:
2.1		 2admA-3qbdA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r9x RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Aquifex
aeolicus) 		PF00398
(RrnaAD) 		5 GLU B  36
GLU B  60
ASP B  62
ASP B  83
PRO B 103
 None
 0.81A 2admA-3r9xB:
5.6		 2admA-3r9xB:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rcm TATD FAMILY
HYDROLASE

(Pseudomonas
putida) 		PF01026
(TatD_DNase) 		5 PRO A 220
GLU A 228
ILE A  22
ALA A 230
PRO A 283
 None
 0.94A 2admA-3rcmA:
undetectable		 2admA-3rcmA:
22.86
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 ALA A 329
ILE A 356
ASP A 388
PRO A 408
PHE A 447
 SAH  A 900 (-3.2A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.1A)
SAH  A 900 (-4.0A)
None
 0.93A 2admA-3s1sA:
10.5		 2admA-3s1sA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tbh O-ACETYL SERINE
SULFHYDRYLASE

(Leishmania
donovani) 		PF00291
(PALP) 		5 GLU A 211
ALA A 209
PRO A 212
ALA A 281
ASP A 246
 None
 1.34A 2admA-3tbhA:
2.5		 2admA-3tbhA:
24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqs RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Coxiella
burnetii) 		PF00398
(RrnaAD) 		5 GLU A  38
GLU A  61
ILE A  62
ASP A  63
ASP A  86
 None
 0.50A 2admA-3tqsA:
7.4		 2admA-3tqsA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		5 GLU A  44
GLU A  71
ASP A  73
ASP A  94
PRO A 119
 None
 0.80A 2admA-3uzuA:
12.6		 2admA-3uzuA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vxi DYP

(Bjerkandera
adusta) 		PF04261
(Dyp_perox) 		5 ALA A 307
PRO A 381
GLU A 391
ILE A 393
ALA A 375
 None
 1.31A 2admA-3vxiA:
undetectable		 2admA-3vxiA:
21.15
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.
3zei O-ACETYLSERINE
SULFHYDRYLASE

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 GLU A 203
ALA A 201
PRO A 204
ALA A 273
ASP A 238
 None
 1.31A 2admA-3zeiA:
2.6		 2admA-3zeiA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ako SPORE COAT PROTEIN A

(Bacillus
subtilis) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 THR A  79
ILE A 224
ASP A 499
ALA A 158
PRO A  83
 None
None
None
None
EDO  A1530 ( 4.4A)
 1.20A 2admA-4akoA:
undetectable		 2admA-4akoA:
22.54
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.
4b5x 4-HYDROXY-2-OXO-HEPT
ANE-1,7-DIOATE
ALDOLASE

(Escherichia
coli) 		PF03328
(HpcH_HpaI) 		5 ALA A 231
PRO A 173
ILE A  16
ALA A 219
ASP A  37
 None
 1.34A 2admA-4b5xA:
undetectable		 2admA-4b5xA:
21.57
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.
4df9 PUTATIVE PEPTIDASE

(Bacteroides
fragilis) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		5 PRO A 118
GLU A 275
ILE A 176
ASP A 177
ALA A  58
 None
NA  A 501 (-3.0A)
None
NA  A 501 (-3.3A)
NA  A 501 (-4.3A)
 1.36A 2admA-4df9A:
undetectable		 2admA-4df9A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		5 GLU A  61
GLU A  85
ASP A  87
ASP A 111
PRO A 143
 None
ACT  A 402 (-2.9A)
None
None
ACT  A 402 ( 4.9A)
 0.89A 2admA-4gc5A:
11.7		 2admA-4gc5A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4inl SERINE PROTEASE SPLD

(Staphylococcus
aureus) 		PF13365
(Trypsin_2) 		5 GLU A 166
ALA A 167
ILE A 160
ALA A 109
PHE A  27
 None
 1.21A 2admA-4inlA:
undetectable		 2admA-4inlA:
19.48
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.
4jx6 PYRUVATE CARBOXYLASE

(Rhizobium etli) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 THR A 588
ALA A 643
PRO A 600
ALA A 982
PHE A 651
 None
 0.97A 2admA-4jx6A:
undetectable		 2admA-4jx6A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k91 D-ALA-D-ALA-CARBOXYP
EPTIDASE

(Pseudomonas
aeruginosa) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 THR A  75
GLU A 111
ALA A 110
ILE A  50
ALA A 121
 None
 1.35A 2admA-4k91A:
undetectable		 2admA-4k91A:
22.84
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.
4l1y SALIVARY NITROPHORIN

(Cimex
lectularius) 		no annotation 5 THR A 219
ALA A 276
ILE A 169
PRO A 216
PHE A 278
 None
 1.34A 2admA-4l1yA:
undetectable		 2admA-4l1yA:
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.
4lfn GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
A

(Lactobacillus
rhamnosus) 		PF02502
(LacAB_rpiB) 		5 THR A  93
ALA A  59
ASP A   2
ALA A  56
ASP A  31
 None
 1.32A 2admA-4lfnA:
undetectable		 2admA-4lfnA:
16.08
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.
4li3 CYSTEINE SYNTHASE

(Haemophilus
influenzae) 		PF00291
(PALP) 		5 GLU X 203
ALA X 201
PRO X 204
ALA X 279
ASP X 244
 None
 1.35A 2admA-4li3X:
undetectable		 2admA-4li3X:
21.46
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.
4lma CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 GLU A 206
ALA A 204
PRO A 207
ALA A 276
ASP A 241
 None
 1.36A 2admA-4lmaA:
undetectable		 2admA-4lmaA:
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.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 GLU A 206
ALA A 204
PRO A 207
ALA A 276
ASP A 241
 None
 1.35A 2admA-4lmbA:
2.8		 2admA-4lmbA:
23.19
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.
4mlc EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfitobacterium
hafniense) 		PF13458
(Peripla_BP_6) 		5 GLU A  25
ALA A 283
ASP A 288
PRO A 279
PHE A 267
 None
 1.20A 2admA-4mlcA:
undetectable		 2admA-4mlcA:
23.04
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.
4mnm CHITINASE A

(Cycas revoluta) 		PF00704
(Glyco_hydro_18) 		5 GLU A  36
ALA A  35
PRO A  48
ALA A  54
ASP A 115
 None
 1.26A 2admA-4mnmA:
undetectable		 2admA-4mnmA:
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.
4q05 ESTERASE E25

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ALA A  30
GLU A 323
ILE A 310
ALA A 321
PRO A  27
 None
 1.14A 2admA-4q05A:
undetectable		 2admA-4q05A:
22.76
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.
4wzf 1,3-BETA-GLUCANASE

(Mycobacterium
tuberculosis) 		PF00722
(Glyco_hydro_16) 		5 GLU A 199
ALA A 191
ASP A 194
PRO A 253
PHE A 254
 None
 1.18A 2admA-4wzfA:
undetectable		 2admA-4wzfA:
21.43
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.
4ycs UNCHARACTERIZED
PROTEIN

(Clostridioides
difficile) 		PF02608
(Bmp) 		5 ALA A 112
PRO A 120
ILE A 136
ASP A 137
ALA A 115
 None
None
None
GOL  A 201 (-3.0A)
None
 1.24A 2admA-4ycsA:
2.0		 2admA-4ycsA:
12.81
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.
4yhb IRON-CHELATOR
UTILIZATION PROTEIN

(Thermobifida
fusca) 		PF04954
(SIP)
PF08021
(FAD_binding_9) 		5 THR A  29
ALA A 156
GLU A 160
ASP A 184
PHE A 172
 None
 1.32A 2admA-4yhbA:
4.0		 2admA-4yhbA:
20.78
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.
5dfl UBIQUITIN-CONJUGATIN
G ENZYME E2 K

(Homo sapiens) 		PF00179
(UQ_con)
PF00627
(UBA) 		5 ALA A 145
ILE A  79
ALA A 153
PRO A  50
PHE A 141
 None
 1.28A 2admA-5dflA:
undetectable		 2admA-5dflA:
16.78
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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		5 GLU A 254
ALA A 330
GLU A 331
ASP A 269
PHE A 328
 None
 1.24A 2admA-5egeA:
undetectable		 2admA-5egeA:
24.58
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.
5f7v LMO0181 PROTEIN

(Listeria
monocytogenes) 		PF01547
(SBP_bac_1) 		5 GLU A 326
ALA A 329
ILE A 331
ASP A 334
PRO A 340
 None
 1.34A 2admA-5f7vA:
undetectable		 2admA-5f7vA:
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.
5ftw CHEMOTAXIS PROTEIN
METHYLTRANSFERASE

(Bacillus
subtilis) 		PF01739
(CheR)
PF03705
(CheR_N) 		5 ALA A 101
PRO A 108
ILE A 131
ASP A 132
ALA A 135
 SAH  A1257 (-3.5A)
None
SAH  A1257 (-4.0A)
None
None
 1.09A 2admA-5ftwA:
10.2		 2admA-5ftwA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hmp UNCONVENTIONAL
MYOSIN-VC

(Homo sapiens) 		PF00063
(Myosin_head) 		5 THR A 222
ALA A 179
ILE A 122
ALA A 141
ASP A 119
 None
 1.29A 2admA-5hmpA:
undetectable		 2admA-5hmpA:
20.08
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.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		5 THR A 373
ILE A 194
ASP A 195
ALA A 517
PHE A 487
 None
 1.06A 2admA-5hs1A:
undetectable		 2admA-5hs1A:
23.60
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.
5kvu ISOCITRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF03971
(IDH) 		5 GLU A 155
ALA A 152
ILE A 640
ASP A 637
PRO A 150
 None
 1.23A 2admA-5kvuA:
undetectable		 2admA-5kvuA:
20.56
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.
5lfr MYELIN-ASSOCIATED
GLYCOPROTEIN

(Mus musculus) 		PF08205
(C2-set_2)
PF13927
(Ig_3) 		5 GLU A 209
ALA A 210
ASP A 235
PRO A 206
PHE A 204
 None
 1.34A 2admA-5lfrA:
undetectable		 2admA-5lfrA:
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.
5nf2 MINOR FIMBRIUM
SUBUNIT MFA1

(Porphyromonas
gingivalis) 		no annotation 5 GLU A 318
ALA A 316
ASP A 321
PRO A 506
PHE A 312
 None
 1.29A 2admA-5nf2A:
undetectable		 2admA-5nf2A:
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.
5ngz UBIQUITIN-CONJUGATIN
G ENZYME E2 T

(Homo sapiens) 		PF00179
(UQ_con) 		5 ALA A 143
ILE A  74
ALA A 151
PRO A  45
PHE A 139
 None
 1.18A 2admA-5ngzA:
undetectable		 2admA-5ngzA:
19.95
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.
5nus P34

(Chaetomium
thermophilum) 		no annotation 5 ALA A 238
PRO A 263
ILE A 206
ASP A  30
PHE A 257
 None
 1.28A 2admA-5nusA:
undetectable		 2admA-5nusA:
21.68
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.
5t51 KLLA0F02343P
KLLA0E05809P

(Kluyveromyces
lactis;
Kluyveromyces
lactis) 		PF05859
(Mis12)
PF03980
(Nnf1) 		5 GLU A  33
ALA A  30
ILE A  28
ASP A  25
PHE B  77
 None
 1.35A 2admA-5t51A:
undetectable		 2admA-5t51A:
14.52
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.
5usf TYROSYL-TRNA
SYNTHETASE, PUTATIVE

(Leishmania
donovani) 		PF00579
(tRNA-synt_1b) 		5 THR A 365
ALA A 506
PRO A 368
ALA A 529
PHE A 468
 None
 1.33A 2admA-5usfA:
2.3		 2admA-5usfA:
20.29
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.
5vhj 26S PROTEASOME
REGULATORY SUBUNIT 8

(Homo sapiens) 		PF00004
(AAA) 		5 GLU C 323
ALA C 324
ILE C 328
ALA C 348
PRO C 320
 None
 1.21A 2admA-5vhjC:
undetectable		 2admA-5vhjC:
21.46
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.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		6 PRO A 508
GLU A 524
ILE A 525
ASP A 526
ASP A 551
PHE A 592
 None
SAH  A 705 (-2.7A)
SAH  A 705 (-3.6A)
None
SAH  A 705 (-3.4A)
SAH  A 705 (-4.6A)
 1.19A 2admA-5wcjA:
12.1		 2admA-5wcjA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wsl KERATINASE

(Meiothermus
taiwanensis) 		no annotation 5 THR A   7
GLU A  48
ALA A 209
ILE A 211
ASP A  68
 None
 1.34A 2admA-5wslA:
2.1		 2admA-5wslA:
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.
5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A

(Pyrococcus
abyssi) 		no annotation 6 PRO A 196
GLU A 213
ILE A 214
ALA A 218
ASP A 243
PRO A 262
 None
MTA  A 401 (-3.5A)
MTA  A 401 (-3.7A)
None
MTA  A 401 (-3.3A)
G  C  37 ( 4.1A)
 0.74A 2admA-5wt3A:
12.1		 2admA-5wt3A:
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.
5x2g CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Campylobacter
jejuni) 		no annotation 5 GLU A 389
ILE A 362
ASP A 364
ALA A 235
ASP A 358
 None
 1.17A 2admA-5x2gA:
undetectable		 2admA-5x2gA:
19.95
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.
5x5t ALPHA-KETOGLUTARIC
SEMIALDEHYDE
DEHYDROGENASE

(Azospirillum
brasilense) 		PF00171
(Aldedh) 		5 THR A 152
ILE A  13
ASP A  47
ALA A  43
ASP A  14
 None
 1.28A 2admA-5x5tA:
undetectable		 2admA-5x5tA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xnc -

(-) 		no annotation 5 ILE A 180
ALA A 122
ASP A 206
PRO A 227
PHE A 236
 MTA  A 401 (-3.6A)
None
MTA  A 401 (-3.6A)
MTA  A 401 (-3.7A)
MTA  A 401 (-4.8A)
 1.31A 2admA-5xncA:
11.6		 2admA-5xncA:
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.
5y0m -

(-) 		no annotation 5 THR A  73
ALA A 353
ASP A 348
ALA A 203
PRO A 218
 None
None
GOL  A1002 ( 4.6A)
None
None
 1.26A 2admA-5y0mA:
undetectable		 2admA-5y0mA:
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.
5yay KN MOTIF AND ANKYRIN
REPEAT DOMAINS 1

(Mus musculus) 		no annotation 5 GLU A1318
ALA A1319
ILE A1324
ALA A1312
ASP A1323
 None
 1.27A 2admA-5yayA:
undetectable		 2admA-5yayA:
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.
6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)

(Escherichia
coli) 		no annotation 5 GLU A 511
ALA A 514
ASP A 519
PRO A 538
PHE A 478
 None
 1.14A 2admA-6d5iA:
undetectable		 2admA-6d5iA:
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.
6fq3 E3 UBIQUITIN-PROTEIN
LIGASE TRIM71

(Danio rerio) 		no annotation 5 THR A 720
ALA A 663
ILE A 670
ALA A 626
PHE A 711
 None
 1.20A 2admA-6fq3A:
undetectable		 2admA-6fq3A:
undetectable