SIMILAR PATTERNS OF AMINO ACIDS FOR 3DTU_C_DXCC576

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.
1a80 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE A

(Corynebacterium
sp.) 		PF00248
(Aldo_ket_red) 		4 PRO A 202
ALA A 206
ALA A 209
THR A 253
 None
 0.80A 3dtuC-1a80A:
0.0
3dtuD-1a80A:
0.0		 3dtuC-1a80A:
18.55
3dtuD-1a80A:
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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ALA A 583
ALA A 586
HIS A 572
GLU A 577
 None
 0.83A 3dtuC-1bhyA:
undetectable
3dtuD-1bhyA:
0.0		 3dtuC-1bhyA:
21.70
3dtuD-1bhyA:
19.66
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.
1e4y ADENYLATE KINASE

(Escherichia
coli) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 ALA A  95
ALA A  99
ILE A  65
GLU A  62
 None
 0.85A 3dtuC-1e4yA:
0.0
3dtuD-1e4yA:
0.0		 3dtuC-1e4yA:
14.56
3dtuD-1e4yA:
22.71
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.
1ej6 LAMBDA1

(Reovirus sp.) 		no annotation 4 PRO B 816
ALA B 820
ALA B 823
ILE B 719
 None
 0.71A 3dtuC-1ej6B:
1.4
3dtuD-1ej6B:
0.0		 3dtuC-1ej6B:
18.72
3dtuD-1ej6B:
11.14
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.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		4 PRO A  89
ALA A  93
ALA A  96
ILE A 124
 None
 0.55A 3dtuC-1fbnA:
undetectable
3dtuD-1fbnA:
0.0		 3dtuC-1fbnA:
16.64
3dtuD-1fbnA:
21.09
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.
1g01 ENDOGLUCANASE

(Bacillus sp.
KSM-635) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		4 ALA A 281
PRO A 546
GLU A 555
THR A 542
 None
 0.79A 3dtuC-1g01A:
undetectable
3dtuD-1g01A:
0.0		 3dtuC-1g01A:
20.63
3dtuD-1g01A:
22.19
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.
1gqa CYTOCHROME C'

(Rhodobacter
sphaeroides) 		PF01322
(Cytochrom_C_2) 		4 PRO A  23
ALA A  25
ALA A  28
GLU A  20
 None
 0.83A 3dtuC-1gqaA:
4.5
3dtuD-1gqaA:
undetectable		 3dtuC-1gqaA:
13.67
3dtuD-1gqaA:
19.28
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.
1h75 GLUTAREDOXIN-LIKE
PROTEIN NRDH

(Escherichia
coli) 		PF00462
(Glutaredoxin) 		4 ALA A  39
ALA A  42
ILE A  31
THR A   4
 None
 0.73A 3dtuC-1h75A:
undetectable
3dtuD-1h75A:
undetectable		 3dtuC-1h75A:
9.56
3dtuD-1h75A:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		4 PRO A  95
ALA A  99
ALA A 102
ILE A  51
 None
 0.81A 3dtuC-1icpA:
undetectable
3dtuD-1icpA:
0.0		 3dtuC-1icpA:
20.58
3dtuD-1icpA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		4 PRO A 152
ALA A 156
ALA A 159
ILE A 420
 None
 0.74A 3dtuC-1iwpA:
0.0
3dtuD-1iwpA:
0.0		 3dtuC-1iwpA:
21.11
3dtuD-1iwpA:
18.71
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.
1lla HEMOCYANIN (SUBUNIT
TYPE II)

(Limulus
polyphemus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 ALA A 124
ALA A 128
ILE A 120
HIS A 435
 None
 0.85A 3dtuC-1llaA:
0.0
3dtuD-1llaA:
undetectable		 3dtuC-1llaA:
20.18
3dtuD-1llaA:
17.20
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.
1pdr HUMAN DISCS LARGE
PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		4 ALA A 528
ALA A 531
ILE A 489
GLU A 487
 None
 0.81A 3dtuC-1pdrA:
undetectable
3dtuD-1pdrA:
undetectable		 3dtuC-1pdrA:
11.07
3dtuD-1pdrA:
18.22
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.
1pem RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
ALPHA CHAIN

(Salmonella
enterica) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF08343
(RNR_N) 		4 PRO A 455
ALA A 459
ALA A 462
ILE A 409
 None
 0.84A 3dtuC-1pemA:
0.5
3dtuD-1pemA:
undetectable		 3dtuC-1pemA:
21.64
3dtuD-1pemA:
15.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pie GALACTOKINASE

(Lactococcus
lactis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 ALA A  54
ALA A 186
PRO A  53
THR A 346
 None
 0.79A 3dtuC-1pieA:
0.0
3dtuD-1pieA:
undetectable		 3dtuC-1pieA:
21.03
3dtuD-1pieA:
20.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA
CYTOCHROME C OXIDASE
POLYPEPTIDE II

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF00115
(COX1)
PF00116
(COX2)
PF02790
(COX2_TM) 		6 PRO A 307
ALA A 311
ALA A 314
PRO A 350
ILE A 353
HIS B  73
 None
 0.94A 3dtuC-1qleA:
58.9
3dtuD-1qleA:
undetectable		 3dtuC-1qleA:
82.85
3dtuD-1qleA:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA
CYTOCHROME C OXIDASE
POLYPEPTIDE II

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF00115
(COX1)
PF00116
(COX2)
PF02790
(COX2_TM) 		6 PRO A 307
ALA A 311
ALA A 314
PRO A 350
ILE A 353
THR B  82
 None
 0.24A 3dtuC-1qleA:
58.9
3dtuD-1qleA:
undetectable		 3dtuC-1qleA:
82.85
3dtuD-1qleA:
19.50
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.
1t1s 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Escherichia
coli) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 PRO A 108
ALA A 112
ALA A 115
THR A   4
 None
 0.86A 3dtuC-1t1sA:
undetectable
3dtuD-1t1sA:
undetectable		 3dtuC-1t1sA:
20.51
3dtuD-1t1sA:
21.73
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 ALA A 221
ALA A 224
ILE A 233
THR A 209
 None
 0.59A 3dtuC-1x87A:
undetectable
3dtuD-1x87A:
undetectable		 3dtuC-1x87A:
22.91
3dtuD-1x87A:
19.06
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.
1zy2 TRANSCRIPTIONAL
REGULATOR NTRC1

(Aquifex
aeolicus) 		PF00072
(Response_reg) 		4 ALA A  36
ALA A  30
ILE A  62
GLU A  61
 None
 0.82A 3dtuC-1zy2A:
undetectable
3dtuD-1zy2A:
undetectable		 3dtuC-1zy2A:
13.43
3dtuD-1zy2A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 ALA A1194
ALA A1196
ILE A1148
HIS A1125
 None
 0.69A 3dtuC-2b39A:
undetectable
3dtuD-2b39A:
undetectable		 3dtuC-2b39A:
15.81
3dtuD-2b39A:
9.99
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.
2dfa HYPOTHETICAL UPF0271
PROTEIN TTHB195

(Thermus
thermophilus) 		PF03746
(LamB_YcsF) 		4 PRO A 189
ALA A 193
ALA A 196
GLU A 231
 None
 0.51A 3dtuC-2dfaA:
undetectable
3dtuD-2dfaA:
undetectable		 3dtuC-2dfaA:
19.52
3dtuD-2dfaA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dy3 ALANINE RACEMASE

(Corynebacterium
glutamicum) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 PRO A  47
ALA A  50
ALA A  54
ILE A  73
 None
 0.86A 3dtuC-2dy3A:
undetectable
3dtuD-2dy3A:
undetectable		 3dtuC-2dy3A:
20.39
3dtuD-2dy3A:
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.
2e7y TRNASE Z

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		4 ALA A 235
ALA A 234
PRO A 196
ILE A 199
 None
 0.71A 3dtuC-2e7yA:
undetectable
3dtuD-2e7yA:
undetectable		 3dtuC-2e7yA:
17.00
3dtuD-2e7yA:
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.
2gf2 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Homo sapiens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 PRO A  89
ALA A  93
ALA A  96
ILE A 119
 None
 0.63A 3dtuC-2gf2A:
undetectable
3dtuD-2gf2A:
undetectable		 3dtuC-2gf2A:
19.89
3dtuD-2gf2A:
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.
2gv8 MONOOXYGENASE

(Schizosaccharomyces
pombe) 		PF00743
(FMO-like)
PF13450
(NAD_binding_8) 		4 PRO A 344
ALA A 348
ALA A 351
ILE A 399
 None
 0.73A 3dtuC-2gv8A:
undetectable
3dtuD-2gv8A:
undetectable		 3dtuC-2gv8A:
21.93
3dtuD-2gv8A:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i2x METHYLTRANSFERASE 1

(Methanosarcina
barkeri) 		PF12176
(MtaB) 		4 PRO A  95
ALA A  99
ALA A 102
GLU A 148
 None
 0.73A 3dtuC-2i2xA:
undetectable
3dtuD-2i2xA:
undetectable		 3dtuC-2i2xA:
20.47
3dtuD-2i2xA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i4c BICARBONATE
TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF13379
(NMT1_2) 		4 ALA A 297
PRO A  73
ILE A  76
GLU A 309
 None
 0.73A 3dtuC-2i4cA:
undetectable
3dtuD-2i4cA:
undetectable		 3dtuC-2i4cA:
21.64
3dtuD-2i4cA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j9i GLUTAMATE-AMMONIA
LIGASE
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		PF00120
(Gln-synt_C) 		4 ALA A  58
ALA A 396
ILE A  65
GLU A  49
 None
 0.74A 3dtuC-2j9iA:
undetectable
3dtuD-2j9iA:
undetectable		 3dtuC-2j9iA:
20.98
3dtuD-2j9iA:
17.76
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.
2v6e PROTELEMORASE

(Klebsiella
phage phiKO2) 		PF16684
(Telomere_res) 		4 PRO A 263
ALA A 267
ALA A 270
ILE A 245
 None
 0.69A 3dtuC-2v6eA:
undetectable
3dtuD-2v6eA:
undetectable		 3dtuC-2v6eA:
21.52
3dtuD-2v6eA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2was 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Saccharomyces
cerevisiae) 		PF01648
(ACPS) 		4 ALA B1855
ALA B1859
ILE B1837
GLU B1817
 None
 0.83A 3dtuC-2wasB:
undetectable
3dtuD-2wasB:
undetectable		 3dtuC-2wasB:
12.23
3dtuD-2wasB:
17.87
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.
2wmh FUCOLECTIN-RELATED
PROTEIN

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		4 ALA A  70
ALA A  73
ILE A  84
GLU A  85
 None
 0.84A 3dtuC-2wmhA:
undetectable
3dtuD-2wmhA:
undetectable		 3dtuC-2wmhA:
19.63
3dtuD-2wmhA:
17.16
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.
2y7d 3-KETO-5-AMINOHEXANO
ATE CLEAVAGE ENZYME

(Candidatus
Cloacimonas
acidaminovorans) 		PF05853
(BKACE) 		4 PRO A  27
ALA A  31
ALA A  34
GLU A  65
 None
 0.43A 3dtuC-2y7dA:
undetectable
3dtuD-2y7dA:
undetectable		 3dtuC-2y7dA:
20.25
3dtuD-2y7dA:
20.45
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.
3bw2 2-NITROPROPANE
DIOXYGENASE

(Streptomyces
ansochromogenes) 		PF03060
(NMO) 		4 PRO A  12
ALA A 234
ALA A 213
ILE A 223
 None
 0.86A 3dtuC-3bw2A:
undetectable
3dtuD-3bw2A:
undetectable		 3dtuC-3bw2A:
22.68
3dtuD-3bw2A:
22.58
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.
3cq5 HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF00155
(Aminotran_1_2) 		4 ALA A 153
ILE A 148
HIS A 126
THR A 178
 None
 0.81A 3dtuC-3cq5A:
undetectable
3dtuD-3cq5A:
undetectable		 3dtuC-3cq5A:
21.90
3dtuD-3cq5A:
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.
3dm9 SIGNAL RECOGNITION
PARTICLE RECEPTOR

(Pyrococcus
furiosus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 PRO B 190
ALA B 194
ALA B 157
ILE B 230
 None
 0.83A 3dtuC-3dm9B:
1.5
3dtuD-3dm9B:
undetectable		 3dtuC-3dm9B:
19.69
3dtuD-3dm9B:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ee4 PROBABLE
RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		4 PRO A  77
ALA A  81
ALA A  84
PRO A 150
 None
 0.63A 3dtuC-3ee4A:
1.3
3dtuD-3ee4A:
undetectable		 3dtuC-3ee4A:
19.79
3dtuD-3ee4A:
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		4 ALA A 210
ALA A 212
ILE A 239
THR A 236
 None
 0.87A 3dtuC-3gveA:
undetectable
3dtuD-3gveA:
undetectable		 3dtuC-3gveA:
20.61
3dtuD-3gveA:
22.31
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		4 ALA A1855
ALA A1859
ILE A1837
GLU A1817
 None
 0.85A 3dtuC-3hmjA:
undetectable
3dtuD-3hmjA:
undetectable		 3dtuC-3hmjA:
14.74
3dtuD-3hmjA:
8.99
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.
3izk CHAPERONIN

(Methanococcus
maripaludis) 		PF00118
(Cpn60_TCP1) 		4 ALA A 417
ALA A 420
ILE A 427
HIS A 435
 None
 0.87A 3dtuC-3izkA:
undetectable
3dtuD-3izkA:
undetectable		 3dtuC-3izkA:
22.61
3dtuD-3izkA:
18.75
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.
3kc2 UNCHARACTERIZED
PROTEIN YKR070W

(Saccharomyces
cerevisiae) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 ALA A  34
ALA A  37
ILE A  31
THR A 319
 None
 0.82A 3dtuC-3kc2A:
undetectable
3dtuD-3kc2A:
undetectable		 3dtuC-3kc2A:
20.93
3dtuD-3kc2A:
18.94
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.
3kux PUTATIVE
OXIDOREDUCTASE

(Yersinia pestis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 PRO A  79
ALA A  81
ALA A  84
THR A  72
 None
 0.69A 3dtuC-3kuxA:
undetectable
3dtuD-3kuxA:
undetectable		 3dtuC-3kuxA:
20.51
3dtuD-3kuxA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6g BETAINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN

(Lactococcus
lactis) 		PF04069
(OpuAC) 		4 ALA A 472
ILE A 479
HIS A 487
THR A 430
 None
 0.75A 3dtuC-3l6gA:
undetectable
3dtuD-3l6gA:
undetectable		 3dtuC-3l6gA:
17.81
3dtuD-3l6gA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lnl UPF0135 PROTEIN
SA1388

(Staphylococcus
aureus) 		PF01784
(NIF3) 		4 ALA A 315
ALA A 318
ILE A 310
THR A 307
 None
 0.76A 3dtuC-3lnlA:
undetectable
3dtuD-3lnlA:
undetectable		 3dtuC-3lnlA:
21.91
3dtuD-3lnlA:
20.53
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.
3mc3 DSRE/DSRF-LIKE
FAMILY PROTEIN

(Sulfolobus
solfataricus) 		PF02635
(DrsE) 		4 PRO A  34
ALA A  38
ILE A  19
HIS A  23
 None
None
None
CL  A 134 (-4.5A)
 0.87A 3dtuC-3mc3A:
undetectable
3dtuD-3mc3A:
undetectable		 3dtuC-3mc3A:
12.72
3dtuD-3mc3A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		4 ALA A 938
ALA A 937
ILE A 883
THR A 879
 None
 0.85A 3dtuC-3ne5A:
undetectable
3dtuD-3ne5A:
undetectable		 3dtuC-3ne5A:
20.17
3dtuD-3ne5A:
13.25
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.
3nvt 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE SYNTHASE

(Listeria
monocytogenes) 		PF00793
(DAHP_synth_1)
PF01817
(CM_2) 		4 PRO A 306
ALA A 308
ALA A 311
THR A 298
 None
 0.83A 3dtuC-3nvtA:
undetectable
3dtuD-3nvtA:
undetectable		 3dtuC-3nvtA:
21.91
3dtuD-3nvtA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nwj ATSK2

(Arabidopsis
thaliana) 		PF01202
(SKI) 		4 PRO A 273
ALA A 277
ALA A 280
ILE A 117
 None
 0.76A 3dtuC-3nwjA:
undetectable
3dtuD-3nwjA:
undetectable		 3dtuC-3nwjA:
19.89
3dtuD-3nwjA:
19.70
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.
3nxl GLUCARATE
DEHYDRATASE

(Burkholderia
lata) 		PF13378
(MR_MLE_C) 		4 PRO A 205
ALA A 209
ALA A 212
GLU A 238
 None
 0.74A 3dtuC-3nxlA:
undetectable
3dtuD-3nxlA:
undetectable		 3dtuC-3nxlA:
21.96
3dtuD-3nxlA:
20.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		4 PRO A 315
ALA A 319
ALA A 322
PRO A 358
 None
 0.24A 3dtuC-3omnA:
66.2
3dtuD-3omnA:
undetectable		 3dtuC-3omnA:
99.81
3dtuD-3omnA:
19.37
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.
3p0w MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Ralstonia
pickettii) 		PF13378
(MR_MLE_C) 		4 PRO A 201
ALA A 205
ALA A 208
GLU A 234
 None
 0.76A 3dtuC-3p0wA:
undetectable
3dtuD-3p0wA:
undetectable		 3dtuC-3p0wA:
23.96
3dtuD-3p0wA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qk8 ENOYL-COA HYDRATASE
ECHA15

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		4 PRO A  35
ALA A 117
ILE A  88
THR A  78
 None
UNL  A 291 ( 3.3A)
UNL  A 291 ( 4.2A)
UNL  A 291 ( 3.6A)
 0.86A 3dtuC-3qk8A:
undetectable
3dtuD-3qk8A:
undetectable		 3dtuC-3qk8A:
18.52
3dtuD-3qk8A:
21.22
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.
3rag UNCHARACTERIZED
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00092
(VWA) 		4 PRO A  24
ALA A  28
ALA A  31
ILE A  60
 None
 0.76A 3dtuC-3ragA:
0.5
3dtuD-3ragA:
undetectable		 3dtuC-3ragA:
18.67
3dtuD-3ragA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3shw TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00595
(PDZ)
PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		4 PRO A 652
ALA A 654
ALA A 657
HIS A 759
 None
 0.74A 3dtuC-3shwA:
undetectable
3dtuD-3shwA:
undetectable		 3dtuC-3shwA:
21.46
3dtuD-3shwA:
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.
3sqg METHYL-COENZYME M
REDUCTASE, GAMMA
SUBUNIT

(uncultured
archaeon) 		PF02240
(MCR_gamma) 		5 PRO C  98
ALA C 102
ALA C 105
PRO C 114
HIS C 158
 None
 1.12A 3dtuC-3sqgC:
undetectable
3dtuD-3sqgC:
undetectable		 3dtuC-3sqgC:
19.37
3dtuD-3sqgC:
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.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		4 ALA A 541
ALA A 544
PRO A 403
ILE A 401
 None
 0.79A 3dtuC-3ue1A:
undetectable
3dtuD-3ue1A:
undetectable		 3dtuC-3ue1A:
20.29
3dtuD-3ue1A:
16.53
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.
3vnd TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Shewanella
frigidimarina) 		PF00290
(Trp_syntA) 		4 PRO A 139
ALA A 143
ALA A 146
ILE A 112
 None
 0.69A 3dtuC-3vndA:
undetectable
3dtuD-3vndA:
undetectable		 3dtuC-3vndA:
19.79
3dtuD-3vndA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w0s HYGROMYCIN-B
4-O-KINASE

(Escherichia
coli) 		PF01636
(APH) 		4 PRO A 114
ALA A 118
ALA A 121
ILE A 211
 None
 0.84A 3dtuC-3w0sA:
undetectable
3dtuD-3w0sA:
undetectable		 3dtuC-3w0sA:
19.12
3dtuD-3w0sA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 PRO A 173
ALA A 177
ALA A 180
THR A 139
 None
 0.76A 3dtuC-4c2tA:
undetectable
3dtuD-4c2tA:
undetectable		 3dtuC-4c2tA:
22.98
3dtuD-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.
4dgf SULFATE TRANSPORTER
SULFATE TRANSPORTER
FAMILY PROTEIN

(Wolinella
succinogenes) 		PF01740
(STAS) 		4 ALA A 551
ALA A 555
ILE A 548
THR A 445
 None
None
CL  A 601 ( 4.5A)
None
 0.82A 3dtuC-4dgfA:
undetectable
3dtuD-4dgfA:
undetectable		 3dtuC-4dgfA:
12.61
3dtuD-4dgfA:
19.70
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.
4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Bacillus
anthracis) 		PF02222
(ATP-grasp)
PF02826
(2-Hacid_dh_C) 		4 ALA A  24
ALA A  27
ILE A  13
THR A  74
 ALA  A  24 ( 0.0A)
ALA  A  27 ( 0.0A)
ILE  A  13 ( 0.7A)
THR  A  74 ( 0.8A)
 0.74A 3dtuC-4dlkA:
undetectable
3dtuD-4dlkA:
undetectable		 3dtuC-4dlkA:
19.18
3dtuD-4dlkA:
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.
4hjh PHOSPHOMANNOMUTASE

(Brucella
melitensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 PRO A 301
ALA A 305
ALA A 308
GLU A 127
 None
IOD  A 521 ( 4.1A)
IOD  A 506 ( 4.4A)
None
 0.58A 3dtuC-4hjhA:
undetectable
3dtuD-4hjhA:
undetectable		 3dtuC-4hjhA:
23.47
3dtuD-4hjhA:
20.79
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.
4hsb PROBABLE
DNA-3-METHYLADENINE
GLYCOSYLASE 2

(Schizosaccharomyces
pombe) 		PF00730
(HhH-GPD) 		4 ALA A 107
ALA A 110
PRO A  79
ILE A  82
 None
 0.60A 3dtuC-4hsbA:
undetectable
3dtuD-4hsbA:
undetectable		 3dtuC-4hsbA:
16.70
3dtuD-4hsbA:
22.10
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.
4hxt DE NOVO PROTEIN
OR329

(synthetic
construct) 		PF00514
(Arm) 		4 ALA A 120
ALA A 123
ILE A  79
GLU A  77
 None
 0.83A 3dtuC-4hxtA:
undetectable
3dtuD-4hxtA:
undetectable		 3dtuC-4hxtA:
15.87
3dtuD-4hxtA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4imv RICIN

(Ricinus
communis) 		PF00161
(RIP) 		4 PRO A 143
ALA A 147
ALA A 150
ILE A 170
 None
 0.55A 3dtuC-4imvA:
undetectable
3dtuD-4imvA:
undetectable		 3dtuC-4imvA:
16.50
3dtuD-4imvA:
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.
4jlw GLUTATHIONE-INDEPEND
ENT FORMALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 PRO A 197
ALA A 201
ALA A 204
ILE A 171
 NAD  A 403 (-3.1A)
None
None
None
 0.76A 3dtuC-4jlwA:
undetectable
3dtuD-4jlwA:
undetectable		 3dtuC-4jlwA:
22.32
3dtuD-4jlwA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jwv SHORT CHAIN
ENOYL-COA HYDRATASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		4 PRO A 201
ALA A 203
ALA A 206
THR A 236
 None
 0.84A 3dtuC-4jwvA:
undetectable
3dtuD-4jwvA:
undetectable		 3dtuC-4jwvA:
19.51
3dtuD-4jwvA:
19.66
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.
4jxk OXIDOREDUCTASE

(Rhodococcus
opacus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PRO A  61
ALA A   9
PRO A  64
ILE A  62
GLU A  59
 None
 1.36A 3dtuC-4jxkA:
undetectable
3dtuD-4jxkA:
undetectable		 3dtuC-4jxkA:
21.01
3dtuD-4jxkA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana) 		PF01432
(Peptidase_M3) 		4 PRO A 199
ALA A 203
ALA A 206
PRO A 141
 None
 0.64A 3dtuC-4ka8A:
1.9
3dtuD-4ka8A:
undetectable		 3dtuC-4ka8A:
22.05
3dtuD-4ka8A:
16.57
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.
4ml9 UNCHARACTERIZED
PROTEIN

(Sebaldella
termitidis) 		PF00977
(His_biosynth) 		4 PRO A 180
ALA A 184
ALA A 187
GLU A 220
 None
 0.66A 3dtuC-4ml9A:
undetectable
3dtuD-4ml9A:
undetectable		 3dtuC-4ml9A:
19.40
3dtuD-4ml9A:
24.67
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.
4mm1 GERANYLGERANYLGLYCER
YL PHOSPHATE
SYNTHASE

(Methanothermobacter
thermautotrophicus) 		PF01884
(PcrB) 		4 PRO A 153
ALA A 157
ALA A 160
GLU A 186
 None
 0.81A 3dtuC-4mm1A:
undetectable
3dtuD-4mm1A:
undetectable		 3dtuC-4mm1A:
17.14
3dtuD-4mm1A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		4 PRO A 288
ALA A 292
ALA A 295
ILE A 212
 None
 0.81A 3dtuC-4mnrA:
undetectable
3dtuD-4mnrA:
undetectable		 3dtuC-4mnrA:
22.34
3dtuD-4mnrA:
22.25
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.
4nu7 RIBULOSE-PHOSPHATE
3-EPIMERASE

(Toxoplasma
gondii) 		PF00834
(Ribul_P_3_epim) 		4 PRO A  83
ALA A  85
ALA A  89
ILE A  81
 None
None
None
CL  A 302 ( 4.9A)
 0.83A 3dtuC-4nu7A:
undetectable
3dtuD-4nu7A:
undetectable		 3dtuC-4nu7A:
18.01
3dtuD-4nu7A:
23.32
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.
4pwo DSBA

(Corynebacterium
diphtheriae) 		PF13462
(Thioredoxin_4) 		4 ALA A 164
ALA A 168
PRO A 158
THR A 248
 None
 0.86A 3dtuC-4pwoA:
undetectable
3dtuD-4pwoA:
undetectable		 3dtuC-4pwoA:
17.49
3dtuD-4pwoA:
26.89
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.
4r9g MBP1

(Caldanaerobius
polysaccharolyticus) 		PF13416
(SBP_bac_8) 		5 PRO A 346
ALA A 350
PRO A 331
ILE A 334
GLU A 134
 None
 1.06A 3dtuC-4r9gA:
undetectable
3dtuD-4r9gA:
undetectable		 3dtuC-4r9gA:
22.34
3dtuD-4r9gA:
20.63
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.
4rck HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN

(Aliivibrio
fischeri) 		PF00092
(VWA) 		4 PRO A 139
ALA A 143
ALA A 146
ILE A 188
 None
 0.59A 3dtuC-4rckA:
undetectable
3dtuD-4rckA:
undetectable		 3dtuC-4rckA:
17.99
3dtuD-4rckA:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rwe SUGAR-BINDING
TRANSPORT PROTEIN

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		4 PRO A 268
ALA A 272
ALA A 275
ILE A  45
 None
 0.78A 3dtuC-4rweA:
undetectable
3dtuD-4rweA:
undetectable		 3dtuC-4rweA:
19.92
3dtuD-4rweA:
20.79
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.
4wxp NS3-4 PROTEASE

(Hepacivirus C) 		PF07652
(Flavi_DEAD) 		4 ALA A 315
ALA A 313
ILE A 287
HIS A 201
 None
 0.86A 3dtuC-4wxpA:
undetectable
3dtuD-4wxpA:
undetectable		 3dtuC-4wxpA:
21.62
3dtuD-4wxpA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xax CARD

(Thermus
thermophilus) 		PF02559
(CarD_CdnL_TRCF) 		4 PRO B 102
ALA B 106
ALA B 109
ILE B  71
 EDO  B 201 (-4.5A)
None
None
None
 0.73A 3dtuC-4xaxB:
undetectable
3dtuD-4xaxB:
undetectable		 3dtuC-4xaxB:
14.39
3dtuD-4xaxB:
23.37
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.
4xq6 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Mycobacterium
tuberculosis) 		PF01180
(DHO_dh) 		4 PRO A 266
ALA A 268
ALA A 271
THR A 315
 None
None
None
FMN  A 401 (-3.6A)
 0.83A 3dtuC-4xq6A:
undetectable
3dtuD-4xq6A:
undetectable		 3dtuC-4xq6A:
20.88
3dtuD-4xq6A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y9d C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		4 PRO A 156
ALA A 160
ALA A 163
ILE A 112
 None
 0.80A 3dtuC-4y9dA:
undetectable
3dtuD-4y9dA:
undetectable		 3dtuC-4y9dA:
19.96
3dtuD-4y9dA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ypo KETOL-ACID
REDUCTOISOMERASE

(Mycobacterium
tuberculosis) 		PF01450
(IlvC)
PF07991
(IlvN) 		4 PRO A  64
ALA A  68
ALA A  71
ILE A  91
 None
 0.51A 3dtuC-4ypoA:
undetectable
3dtuD-4ypoA:
undetectable		 3dtuC-4ypoA:
20.63
3dtuD-4ypoA:
21.30
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.
5b57 HEMIN IMPORT
ATP-BINDING PROTEIN
HMUV

(Burkholderia
cenocepacia) 		PF00005
(ABC_tran) 		4 PRO C 216
ALA C 220
ALA C 223
PRO C 240
 None
 0.73A 3dtuC-5b57C:
undetectable
3dtuD-5b57C:
undetectable		 3dtuC-5b57C:
20.71
3dtuD-5b57C:
19.09
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.
5b6a PYRIDOXAL KINASE
PDXY

(Pseudomonas
aeruginosa) 		PF08543
(Phos_pyr_kin) 		4 ALA A  90
PRO A  59
ILE A  62
THR A  40
 None
 0.77A 3dtuC-5b6aA:
undetectable
3dtuD-5b6aA:
undetectable		 3dtuC-5b6aA:
19.79
3dtuD-5b6aA:
20.72
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.
5guf CDP-ARCHAEOL
SYNTHASE

(Aeropyrum
pernix) 		no annotation 4 ALA A  72
ALA A  76
PRO A  23
ILE A  26
 None
 0.80A 3dtuC-5gufA:
1.0
3dtuD-5gufA:
undetectable		 3dtuC-5gufA:
16.25
3dtuD-5gufA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j6f 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE
SYNTHASE, CHORISMATE
MUTASE-ISOZYME 3

(Geobacillus sp.
GHH01) 		PF00793
(DAHP_synth_1)
PF01817
(CM_2) 		4 PRO A 306
ALA A 308
ALA A 311
THR A 298
 None
 0.86A 3dtuC-5j6fA:
undetectable
3dtuD-5j6fA:
undetectable		 3dtuC-5j6fA:
18.67
3dtuD-5j6fA:
23.22
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.
5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)

(Parageobacillus
thermoglucosidasius) 		PF00171
(Aldedh) 		4 PRO A 328
ALA A 332
ALA A 335
ILE A 339
 None
 0.56A 3dtuC-5j78A:
undetectable
3dtuD-5j78A:
undetectable		 3dtuC-5j78A:
21.93
3dtuD-5j78A:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbc DSBA

(Chlamydia
trachomatis) 		PF13462
(Thioredoxin_4) 		4 PRO A 119
ALA A 123
ALA A 126
ILE A 143
 None
 0.84A 3dtuC-5kbcA:
undetectable
3dtuD-5kbcA:
undetectable		 3dtuC-5kbcA:
14.64
3dtuD-5kbcA:
20.97
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.
5kdi PLECKSTRIN HOMOLOGY
DOMAIN-CONTAINING
FAMILY A MEMBER 8

(Homo sapiens) 		no annotation 4 ALA A 401
ALA A 404
ILE A 385
THR A 332
 None
 0.82A 3dtuC-5kdiA:
undetectable
3dtuD-5kdiA:
undetectable		 3dtuC-5kdiA:
undetectable
3dtuD-5kdiA:
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.
5mux 2-METHYLCITRATE
DEHYDRATASE

(Bacillus
subtilis) 		no annotation 4 ALA A 289
ALA A 292
ILE A 340
GLU A 282
 None
None
None
TLA  A 501 (-3.4A)
 0.85A 3dtuC-5muxA:
0.0
3dtuD-5muxA:
undetectable		 3dtuC-5muxA:
undetectable
3dtuD-5muxA:
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.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA

(Methanothermococcus
thermolithotrophicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 PRO B 392
ALA B 396
ALA B 399
THR B 330
 None
 0.83A 3dtuC-5n1qB:
undetectable
3dtuD-5n1qB:
undetectable		 3dtuC-5n1qB:
20.61
3dtuD-5n1qB:
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.
5ndx GLYCOSYL HYDROLASE

(Rhizobium
leguminosarum) 		no annotation 4 PRO A 190
ALA A 194
ALA A 197
ILE A 156
 None
 0.77A 3dtuC-5ndxA:
undetectable
3dtuD-5ndxA:
undetectable		 3dtuC-5ndxA:
undetectable
3dtuD-5ndxA:
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ALA A 578
ALA A 581
HIS A 567
GLU A 572
 None
 0.81A 3dtuC-5u25A:
undetectable
3dtuD-5u25A:
undetectable		 3dtuC-5u25A:
21.55
3dtuD-5u25A:
17.28
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.
5u4z REPRESSOR OF RNA
POLYMERASE III
TRANSCRIPTION

(Citrus sinensis) 		PF09174
(Maf1) 		4 ALA A  98
ALA A 101
ILE A  52
GLU A  49
 None
 0.81A 3dtuC-5u4zA:
undetectable
3dtuD-5u4zA:
undetectable		 3dtuC-5u4zA:
18.01
3dtuD-5u4zA:
17.67
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.
5vug UNCHARACTERIZED
PROTEIN RV2277C

(Mycobacterium
tuberculosis) 		PF03009
(GDPD) 		4 ALA A  15
ALA A  12
ILE A  28
THR A 113
 None
 0.59A 3dtuC-5vugA:
undetectable
3dtuD-5vugA:
undetectable		 3dtuC-5vugA:
18.92
3dtuD-5vugA:
20.71
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.
5wm4 SALICYLATE-AMP
LIGASE

(Streptomyces
gandocaensis) 		no annotation 5 ALA A 139
ALA A 144
ILE A 135
GLU A 134
THR A 126
 None
 1.45A 3dtuC-5wm4A:
undetectable
3dtuD-5wm4A:
undetectable		 3dtuC-5wm4A:
undetectable
3dtuD-5wm4A:
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.
5x9u THERMOSOME, ALPHA
SUBUNIT

(Carboxydothermus
hydrogenoformans) 		no annotation 4 ALA A 371
ALA A 374
ILE A 356
THR A 194
 None
 0.76A 3dtuC-5x9uA:
undetectable
3dtuD-5x9uA:
undetectable		 3dtuC-5x9uA:
21.88
3dtuD-5x9uA:
19.39
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.
5zvs VP2

(Aquareovirus C) 		no annotation 4 ALA 2 438
ALA 2 437
ILE 2 555
THR 2 703
 None
 0.84A 3dtuC-5zvs2:
undetectable
3dtuD-5zvs2:
undetectable		 3dtuC-5zvs2:
undetectable
3dtuD-5zvs2:
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.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 4 ALA A 300
ALA A 299
ILE A 365
HIS A 331
 None
 0.82A 3dtuC-6cboA:
undetectable
3dtuD-6cboA:
undetectable		 3dtuC-6cboA:
undetectable
3dtuD-6cboA:
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.
6dxp -

(-) 		no annotation 4 PRO A  54
ALA A  58
ALA A  62
ILE A  69
 None
 0.78A 3dtuC-6dxpA:
undetectable
3dtuD-6dxpA:
undetectable		 3dtuC-6dxpA:
undetectable
3dtuD-6dxpA:
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.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 4 PRO A 142
ALA A 146
ALA A 149
PRO A 200
 None
 0.44A 3dtuC-6et9A:
undetectable
3dtuD-6et9A:
undetectable		 3dtuC-6et9A:
undetectable
3dtuD-6et9A:
undetectable