SIMILAR PATTERNS OF AMINO ACIDS FOR 4V1F_B_BQ1B1087

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.
1a4s BETAINE ALDEHYDE
DEHYDROGENASE

(Gadus morhua) 		PF00171
(Aldedh) 		5 ALA A   1
ILE A 200
GLU A 207
ALA A 208
PHE A 205
 None
 1.34A 4v1fA-1a4sA:
0.9
4v1fB-1a4sA:
0.0		 4v1fA-1a4sA:
10.93
4v1fB-1a4sA:
10.93
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.
1a80 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE A

(Corynebacterium
sp.) 		PF00248
(Aldo_ket_red) 		5 ALA A  59
ALA A  61
ILE A  60
ALA A  95
LEU A  99
 None
 1.13A 4v1fA-1a80A:
0.0
4v1fB-1a80A:
0.0		 4v1fA-1a80A:
18.22
4v1fB-1a80A:
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.
1a8s CHLOROPEROXIDASE F

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		5 ALA A  77
ILE A  80
ALA A 101
TYR A 103
LEU A  90
 None
 1.39A 4v1fA-1a8sA:
undetectable
4v1fB-1a8sA:
0.0		 4v1fA-1a8sA:
19.70
4v1fB-1a8sA:
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.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A 173
ALA A 174
ILE A 177
ALA A 255
 None
 0.67A 4v1fA-1b3nA:
undetectable
4v1fB-1b3nA:
0.0		 4v1fA-1b3nA:
13.95
4v1fB-1b3nA:
13.95
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.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE

(Arthrobacter
sp. 1C) 		PF02317
(Octopine_DH)
PF02558
(ApbA) 		5 ALA A  60
ALA A  21
ILE A  49
ALA A   8
LEU A  12
 None
 1.24A 4v1fA-1bg6A:
undetectable
4v1fB-1bg6A:
undetectable		 4v1fA-1bg6A:
15.38
4v1fB-1bg6A:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cqi PROTEIN
(SUCCINYL-COA
SYNTHETASE BETA
CHAIN)

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		5 ALA B 254
GLU B 242
ALA B 246
TYR B 252
LEU B 287
 None
 1.46A 4v1fA-1cqiB:
0.0
4v1fB-1cqiB:
undetectable		 4v1fA-1cqiB:
14.36
4v1fB-1cqiB:
14.36
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.
1crk CREATINE KINASE

(Gallus gallus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 ALA A  32
GLU A  82
ALA A  81
PHE A  80
LEU A  48
 None
 1.48A 4v1fA-1crkA:
0.0
4v1fB-1crkA:
0.0		 4v1fA-1crkA:
12.81
4v1fB-1crkA:
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.
1d1d PROTEIN (CAPSID
PROTEIN)

(Rous sarcoma
virus) 		PF00607
(Gag_p24) 		5 ALA A  84
ALA A  83
ILE A  81
ALA A 134
LEU A  77
 None
 1.16A 4v1fA-1d1dA:
0.5
4v1fB-1d1dA:
0.7		 4v1fA-1d1dA:
18.75
4v1fB-1d1dA:
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.
1dpt D-DOPACHROME
TAUTOMERASE

(Homo sapiens) 		PF01187
(MIF) 		5 ALA A  26
ALA A  25
ALA A  78
PHE A  81
LEU A  84
 None
 1.22A 4v1fA-1dptA:
undetectable
4v1fB-1dptA:
undetectable		 4v1fA-1dptA:
25.23
4v1fB-1dptA:
25.23
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.
1drk D-RIBOSE-BINDING
PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		5 ALA A  81
ALA A  78
ILE A  83
ALA A  48
LEU A  53
 None
 1.42A 4v1fA-1drkA:
undetectable
4v1fB-1drkA:
undetectable		 4v1fA-1drkA:
13.65
4v1fB-1drkA:
13.65
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.
1ebl BETA-KETOACYL-ACP
SYNTHASE III

(Escherichia
coli) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ALA A  90
ALA A  91
ILE A  94
LEU A 135
 None
 0.67A 4v1fA-1eblA:
undetectable
4v1fB-1eblA:
undetectable		 4v1fA-1eblA:
12.89
4v1fB-1eblA:
12.89
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.
1eqc EXO-(B)-(1,3)-GLUCAN
ASE

(Candida
albicans) 		PF00150
(Cellulase) 		4 ALA A  62
ALA A  63
ILE A  66
LEU A  34
 None
 0.64A 4v1fA-1eqcA:
undetectable
4v1fB-1eqcA:
undetectable		 4v1fA-1eqcA:
11.08
4v1fB-1eqcA:
11.08
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.
1eys PHOTOSYNTHETIC
REACTION CENTER

(Thermochromatium
tepidum) 		PF00124
(Photo_RC) 		5 ALA L 104
ALA L 101
ALA L 132
TYR L 136
LEU L 137
 BPH  L 606 ( 4.1A)
BPH  L 606 ( 3.9A)
BPH  L 606 (-3.7A)
BCL  L 604 ( 4.4A)
None
 1.46A 4v1fA-1eysL:
2.7
4v1fB-1eysL:
2.8		 4v1fA-1eysL:
16.07
4v1fB-1eysL:
16.07
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.
1ffv CUTM, FLAVOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 ALA C 249
ALA C 250
ILE C 253
ALA C 199
LEU C 224
 None
 1.27A 4v1fA-1ffvC:
undetectable
4v1fB-1ffvC:
undetectable		 4v1fA-1ffvC:
17.50
4v1fB-1ffvC:
17.50
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.
1ga7 HYPOTHETICAL 23.7
KDA PROTEIN IN
ICC-TOLC INTERGENIC
REGION

(Escherichia
coli) 		PF00293
(NUDIX) 		4 ALA A 188
ALA A 189
ILE A 192
LEU A 128
 None
 0.51A 4v1fA-1ga7A:
undetectable
4v1fB-1ga7A:
undetectable		 4v1fA-1ga7A:
18.18
4v1fB-1ga7A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1geg ACETOIN REDUCTASE

(Klebsiella
pneumoniae) 		PF00106
(adh_short) 		5 ALA A  10
ILE A  18
ALA A  28
PHE A  27
LEU A  22
 None
 1.41A 4v1fA-1gegA:
undetectable
4v1fB-1gegA:
undetectable		 4v1fA-1gegA:
19.20
4v1fB-1gegA:
19.20
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.
1gyq PROTEIN
(GLYCERALDEHYDE-3-PH
OSPHATE
DEHYDROGENASE)

(Leishmania
mexicana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A 281
ALA A 280
ILE A 277
ALA A 172
LEU A 178
 None
 1.32A 4v1fA-1gyqA:
undetectable
4v1fB-1gyqA:
undetectable		 4v1fA-1gyqA:
14.76
4v1fB-1gyqA:
14.76
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.
1ir6 EXONUCLEASE RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ALA A 220
ALA A 265
ILE A 219
ALA A 252
LEU A 237
 None
 1.41A 4v1fA-1ir6A:
undetectable
4v1fB-1ir6A:
undetectable		 4v1fA-1ir6A:
13.65
4v1fB-1ir6A:
13.65
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.
1kbz DTDP-GLUCOSE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF04321
(RmlD_sub_bind) 		5 ALA A 237
ILE A 239
ALA A 228
PHE A 231
LEU A 241
 None
 1.36A 4v1fA-1kbzA:
undetectable
4v1fB-1kbzA:
undetectable		 4v1fA-1kbzA:
17.28
4v1fB-1kbzA:
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.
1kbz DTDP-GLUCOSE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF04321
(RmlD_sub_bind) 		5 ALA A 237
ILE A 239
ALA A 228
PHE A 231
LEU A 241
 None
 1.38A 4v1fA-1kbzA:
undetectable
4v1fB-1kbzA:
undetectable		 4v1fA-1kbzA:
17.28
4v1fB-1kbzA:
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.
1kut PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Thermotoga
maritima) 		PF01259
(SAICAR_synt) 		4 ALA A 147
ALA A 148
ILE A 151
TYR A 171
 None
 0.56A 4v1fA-1kutA:
undetectable
4v1fB-1kutA:
undetectable		 4v1fA-1kutA:
17.83
4v1fB-1kutA:
17.83
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 ALA A 293
ALA A 294
ALA A 609
PHE A 608
 None
 0.63A 4v1fA-1kwgA:
undetectable
4v1fB-1kwgA:
undetectable		 4v1fA-1kwgA:
10.14
4v1fB-1kwgA:
10.14
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.
1l8w VLSE1

(Borreliella
burgdorferi) 		PF00921
(Lipoprotein_2) 		4 ALA A 312
ALA A 313
ILE A 284
ALA A 296
 None
 0.69A 4v1fA-1l8wA:
undetectable
4v1fB-1l8wA:
undetectable		 4v1fA-1l8wA:
13.54
4v1fB-1l8wA:
13.54
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.
1mo2 ERYTHRONOLIDE
SYNTHASE, MODULES 5
AND 6

(Saccharopolyspora
erythraea) 		PF00975
(Thioesterase) 		5 ALA A  78
ALA A  77
ILE A  79
GLU A 185
ALA A 181
 None
 1.45A 4v1fA-1mo2A:
undetectable
4v1fB-1mo2A:
undetectable		 4v1fA-1mo2A:
17.69
4v1fB-1mo2A:
17.69
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.
1moz ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
1

(Saccharomyces
cerevisiae) 		PF00025
(Arf) 		5 ALA A 121
ALA A  88
ILE A 178
ALA A  84
LEU A  19
 None
 1.31A 4v1fA-1mozA:
undetectable
4v1fB-1mozA:
undetectable		 4v1fA-1mozA:
15.96
4v1fB-1mozA:
15.96
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.
1mvl PPC DECARBOXYLASE
ATHAL3A

(Arabidopsis
thaliana) 		PF02441
(Flavoprotein) 		5 ALA A 184
ILE A 189
ALA A  32
PHE A  35
LEU A  38
 None
 1.20A 4v1fA-1mvlA:
undetectable
4v1fB-1mvlA:
undetectable		 4v1fA-1mvlA:
18.18
4v1fB-1mvlA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n61 CARBON MONOXIDE
DEHYDROGENASE MEDIUM
CHAIN

(Oligotropha
carboxidovorans) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 ALA C 134
ALA C 135
ILE C 170
ALA C 160
LEU C 167
 None
None
None
None
FAD  C3932 (-4.3A)
 1.09A 4v1fA-1n61C:
undetectable
4v1fB-1n61C:
undetectable		 4v1fA-1n61C:
18.03
4v1fB-1n61C:
18.03
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.
1nq6 XYS1

(Streptomyces
halstedii) 		PF00331
(Glyco_hydro_10) 		5 ALA A  21
ALA A  20
ALA A  27
TYR A  29
LEU A  33
 None
 1.05A 4v1fA-1nq6A:
undetectable
4v1fB-1nq6A:
undetectable		 4v1fA-1nq6A:
13.15
4v1fB-1nq6A:
13.15
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.
1nq6 XYS1

(Streptomyces
halstedii) 		PF00331
(Glyco_hydro_10) 		5 ALA A  21
ALA A  20
ALA A  28
TYR A  29
LEU A  33
 None
 1.27A 4v1fA-1nq6A:
undetectable
4v1fB-1nq6A:
undetectable		 4v1fA-1nq6A:
13.15
4v1fB-1nq6A:
13.15
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.
1nu5 CHLOROMUCONATE
CYCLOISOMERASE

(Pseudomonas sp.
P51) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 100
ALA A 103
ILE A 104
ALA A 277
LEU A 108
 None
 1.30A 4v1fA-1nu5A:
undetectable
4v1fB-1nu5A:
undetectable		 4v1fA-1nu5A:
14.79
4v1fB-1nu5A:
14.79
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.
1q2l PROTEASE III

(Escherichia
coli) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF16187
(Peptidase_M16_M) 		4 ILE A 315
ALA A 370
PHE A 373
LEU A 376
 None
 0.64A 4v1fA-1q2lA:
undetectable
4v1fB-1q2lA:
undetectable		 4v1fA-1q2lA:
6.25
4v1fB-1q2lA:
6.25
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.
1q90 CYTOCHROME B6

(Chlamydomonas
reinhardtii) 		PF00033
(Cytochrome_B) 		5 ALA B  16
ALA B  18
ILE B  17
GLU B   9
PHE B   8
 None
 1.22A 4v1fA-1q90B:
undetectable
4v1fB-1q90B:
undetectable		 4v1fA-1q90B:
14.42
4v1fB-1q90B:
14.42
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.
1qhx PROTEIN
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)

(Streptomyces
venezuelae) 		PF07931
(CPT) 		5 ALA A 171
ALA A 169
ILE A 172
ALA A  14
LEU A   8
 None
None
None
ATP  A 501 (-4.2A)
None
 1.26A 4v1fA-1qhxA:
undetectable
4v1fB-1qhxA:
undetectable		 4v1fA-1qhxA:
19.10
4v1fB-1qhxA:
19.10
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.
1r5n EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
GTP-BINDING SUBUNIT

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		5 ALA A 474
ILE A 473
ALA A 490
PHE A 469
LEU A 547
 None
 1.49A 4v1fA-1r5nA:
undetectable
4v1fB-1r5nA:
undetectable		 4v1fA-1r5nA:
9.64
4v1fB-1r5nA:
9.64
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.
1rgy BETA-LACTAMASE

(Citrobacter
freundii) 		PF00144
(Beta-lactamase) 		5 ALA A 352
ALA A 353
ILE A 356
ALA A  29
PHE A  41
 None
 1.25A 4v1fA-1rgyA:
undetectable
4v1fB-1rgyA:
undetectable		 4v1fA-1rgyA:
14.17
4v1fB-1rgyA:
14.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ru3 ACETYL-COA SYNTHASE

(Carboxydothermus
hydrogenoformans) 		PF03598
(CdhC) 		4 ALA A 171
ALA A 172
ILE A 175
LEU A 256
 None
 0.52A 4v1fA-1ru3A:
undetectable
4v1fB-1ru3A:
undetectable		 4v1fA-1ru3A:
8.61
4v1fB-1ru3A:
8.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sbd SOYBEAN AGGLUTININ

(Glycine max) 		PF00139
(Lectin_legB) 		5 ALA A  72
ALA A  71
ILE A 166
ALA A 170
LEU A 175
 None
 1.38A 4v1fA-1sbdA:
undetectable
4v1fB-1sbdA:
undetectable		 4v1fA-1sbdA:
14.62
4v1fB-1sbdA:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1svr SEVERIN

(Dictyostelium
discoideum) 		PF00626
(Gelsolin) 		4 ALA A 220
ILE A 221
ALA A 175
LEU A 191
 None
 0.67A 4v1fA-1svrA:
undetectable
4v1fB-1svrA:
undetectable		 4v1fA-1svrA:
19.30
4v1fB-1svrA:
19.30
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		4 ALA A  88
ALA A  89
ILE A  92
LEU A 117
 None
 0.56A 4v1fA-1szqA:
undetectable
4v1fB-1szqA:
undetectable		 4v1fA-1szqA:
12.67
4v1fB-1szqA:
12.67
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.
1tiq PROTEASE SYNTHASE
AND SPORULATION
NEGATIVE REGULATORY
PROTEIN PAI 1

(Bacillus
subtilis) 		PF00583
(Acetyltransf_1) 		5 ALA A 140
ALA A 138
ILE A 139
ALA A 168
LEU A 165
 COA  A 301 (-3.2A)
COA  A 301 ( 3.7A)
None
None
None
 1.30A 4v1fA-1tiqA:
undetectable
4v1fB-1tiqA:
undetectable		 4v1fA-1tiqA:
16.09
4v1fB-1tiqA:
16.09
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 230
ALA A 228
ILE A 231
ALA A  38
LEU A  44
 None
 1.21A 4v1fA-1tkcA:
undetectable
4v1fB-1tkcA:
undetectable		 4v1fA-1tkcA:
9.58
4v1fB-1tkcA:
9.58
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.
1tuf DIAMINOPIMELATE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ALA A 400
ALA A  84
ALA A  79
TYR A  80
LEU A  94
 None
LLP  A  83 ( 3.6A)
None
None
None
 1.38A 4v1fA-1tufA:
undetectable
4v1fB-1tufA:
undetectable		 4v1fA-1tufA:
12.21
4v1fB-1tufA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ua4 ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
furiosus) 		PF04587
(ADP_PFK_GK) 		5 ALA A 446
ALA A 365
ILE A 442
TYR A 347
PHE A 341
 None
None
None
AMP  A1456 (-4.8A)
None
 1.41A 4v1fA-1ua4A:
undetectable
4v1fB-1ua4A:
undetectable		 4v1fA-1ua4A:
13.33
4v1fB-1ua4A:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 ALA A 445
ALA A 448
ILE A 444
ALA A 685
TYR A 683
 None
 1.17A 4v1fA-1ulvA:
undetectable
4v1fB-1ulvA:
undetectable		 4v1fA-1ulvA:
7.26
4v1fB-1ulvA:
7.26
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.
1v8p HYPOTHETICAL PROTEIN
PAE2754

(Pyrobaculum
aerophilum) 		PF01850
(PIN) 		5 ALA A  11
ALA A   9
ALA A  93
TYR A  95
LEU A  32
 None
 1.48A 4v1fA-1v8pA:
undetectable
4v1fB-1v8pA:
undetectable		 4v1fA-1v8pA:
18.75
4v1fB-1v8pA:
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.
1vgm 378AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		5 ALA A  93
ILE A  94
GLU A 224
PHE A 335
LEU A 214
 None
None
GOL  A 401 (-4.2A)
GOL  A 401 (-3.6A)
None
 1.41A 4v1fA-1vgmA:
undetectable
4v1fB-1vgmA:
undetectable		 4v1fA-1vgmA:
13.23
4v1fB-1vgmA:
13.23
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.
1wa5 IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae) 		PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		5 ALA C 516
ALA C 517
ILE C 520
ALA C 555
LEU C 549
 None
 1.15A 4v1fA-1wa5C:
2.7
4v1fB-1wa5C:
undetectable		 4v1fA-1wa5C:
7.41
4v1fB-1wa5C:
7.41
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		5 ALA A 359
GLU A 397
ALA A 396
PHE A 395
LEU A 364
 None
 1.33A 4v1fA-1x0uA:
undetectable
4v1fB-1x0uA:
undetectable		 4v1fA-1x0uA:
11.78
4v1fB-1x0uA:
11.78
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		5 ALA A 359
GLU A 397
ALA A 396
PHE A 395
LEU A 364
 None
 1.37A 4v1fA-1x0uA:
undetectable
4v1fB-1x0uA:
undetectable		 4v1fA-1x0uA:
11.78
4v1fB-1x0uA:
11.78
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.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 ALA A   3
ILE A 305
GLU A 350
PHE A 348
LEU A 345
 None
 1.23A 4v1fA-1xpgA:
undetectable
4v1fB-1xpgA:
undetectable		 4v1fA-1xpgA:
8.53
4v1fB-1xpgA:
8.53
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.
1xuq SUPEROXIDE DISMUTASE

(Bacillus
anthracis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 ALA A 105
ALA A 103
ILE A 106
GLU A 196
ALA A 194
 None
 1.34A 4v1fA-1xuqA:
undetectable
4v1fB-1xuqA:
undetectable		 4v1fA-1xuqA:
22.89
4v1fB-1xuqA:
22.89
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.
1ydo HMG-COA LYASE

(Bacillus
subtilis) 		PF00682
(HMGL-like) 		5 ALA A 276
ALA A 277
ILE A 280
ALA A 250
LEU A 237
 None
 1.16A 4v1fA-1ydoA:
undetectable
4v1fB-1ydoA:
undetectable		 4v1fA-1ydoA:
15.89
4v1fB-1ydoA:
15.89
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.
1ynb HYPOTHETICAL PROTEIN
AF1432

(Archaeoglobus
fulgidus) 		PF13023
(HD_3) 		4 ALA A 155
ALA A 156
ILE A 159
ALA A  47
 None
 0.56A 4v1fA-1ynbA:
undetectable
4v1fB-1ynbA:
undetectable		 4v1fA-1ynbA:
21.34
4v1fB-1ynbA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z05 TRANSCRIPTIONAL
REGULATOR, ROK
FAMILY

(Vibrio cholerae) 		PF00480
(ROK) 		5 ALA A 324
ALA A 326
ILE A 327
PHE A 332
LEU A 331
 None
 1.25A 4v1fA-1z05A:
undetectable
4v1fB-1z05A:
undetectable		 4v1fA-1z05A:
12.26
4v1fB-1z05A:
12.26
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.
1z0x TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Enterococcus
faecalis) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		5 ALA A  58
ALA A  60
ILE A  61
PHE A  65
LEU A  88
 None
 1.45A 4v1fA-1z0xA:
undetectable
4v1fB-1z0xA:
undetectable		 4v1fA-1z0xA:
17.92
4v1fB-1z0xA:
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.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		5 ALA A  70
ALA A  71
ILE A  74
ALA A 123
LEU A  97
 None
 1.03A 4v1fA-2a0uA:
undetectable
4v1fB-2a0uA:
undetectable		 4v1fA-2a0uA:
13.90
4v1fB-2a0uA:
13.90
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.
2a3d PROTEIN (DE NOVO
THREE-HELIX BUNDLE)

(synthetic
construct) 		no annotation 4 ALA A  37
ALA A  36
ALA A  29
PHE A  31
 None
 0.69A 4v1fA-2a3dA:
2.8
4v1fB-2a3dA:
2.8		 4v1fA-2a3dA:
21.95
4v1fB-2a3dA:
21.95
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.
2axc COLICIN E7

(Escherichia
coli) 		PF03515
(Cloacin) 		5 ALA A 110
ALA A 112
ILE A 111
PHE A  85
LEU A 154
 None
 1.35A 4v1fA-2axcA:
undetectable
4v1fB-2axcA:
undetectable		 4v1fA-2axcA:
17.79
4v1fB-2axcA:
17.79
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.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 ALA A 249
ALA A 253
ILE A 221
TYR A 255
LEU A 234
 None
 1.14A 4v1fA-2b3tA:
undetectable
4v1fB-2b3tA:
undetectable		 4v1fA-2b3tA:
14.89
4v1fB-2b3tA:
14.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b5u COLICIN E3

(Escherichia
coli) 		PF03515
(Cloacin)
PF09000
(Cytotoxic)
PF11570
(E2R135) 		5 ALA A 115
ALA A 117
ILE A 116
PHE A  90
LEU A 159
 None
 1.43A 4v1fA-2b5uA:
6.2
4v1fB-2b5uA:
6.1		 4v1fA-2b5uA:
10.24
4v1fB-2b5uA:
10.24
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.
2b7u CHARYBDIN

(Drimia maritima) 		PF00161
(RIP) 		5 ALA A 175
ALA A 168
ILE A 174
PHE A 239
LEU A 198
 None
None
None
MES  A 258 (-3.9A)
None
 1.48A 4v1fA-2b7uA:
undetectable
4v1fB-2b7uA:
undetectable		 4v1fA-2b7uA:
16.67
4v1fB-2b7uA:
16.67
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.
2b8e CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 ALA A 531
ALA A 545
ILE A 543
ALA A 454
LEU A 449
 None
 1.44A 4v1fA-2b8eA:
undetectable
4v1fB-2b8eA:
undetectable		 4v1fA-2b8eA:
16.91
4v1fB-2b8eA:
16.91
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.
2c1h DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Prosthecochloris
vibrioformis) 		PF00490
(ALAD) 		4 ALA A 110
ILE A 111
PHE A  61
LEU A  40
 None
 0.63A 4v1fA-2c1hA:
undetectable
4v1fB-2c1hA:
undetectable		 4v1fA-2c1hA:
17.83
4v1fB-2c1hA:
17.83
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.
2c9e PERIDININ-CHLOROPHYL
L A PROTEIN

(Amphidinium
carterae) 		PF02429
(PCP) 		5 ALA A 104
ALA A 102
ILE A 101
ALA A  65
LEU A  97
 None
None
PID  A1331 (-4.1A)
None
PID  A1331 ( 4.4A)
 1.32A 4v1fA-2c9eA:
undetectable
4v1fB-2c9eA:
undetectable		 4v1fA-2c9eA:
15.29
4v1fB-2c9eA:
15.29
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.
2cb0 GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Pyrococcus
furiosus) 		PF01380
(SIS) 		4 ALA A 141
TYR A 143
PHE A 144
LEU A 147
 None
 0.58A 4v1fA-2cb0A:
undetectable
4v1fB-2cb0A:
undetectable		 4v1fA-2cb0A:
14.74
4v1fB-2cb0A:
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.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		5 ALA A 331
ALA A 329
ILE A 332
ALA A 292
PHE A 295
 None
 0.91A 4v1fA-2d4eA:
undetectable
4v1fB-2d4eA:
undetectable		 4v1fA-2d4eA:
10.12
4v1fB-2d4eA:
10.12
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.
2dou PROBABLE
N-SUCCINYLDIAMINOPIM
ELATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		4 ALA A 367
ALA A 368
ILE A 371
LEU A 304
 None
 0.49A 4v1fA-2douA:
undetectable
4v1fB-2douA:
undetectable		 4v1fA-2douA:
12.77
4v1fB-2douA:
12.77
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.
2dul N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF02005
(TRM) 		5 ALA A 208
ALA A 205
ILE A 204
ALA A 184
LEU A 200
 None
 1.33A 4v1fA-2dulA:
undetectable
4v1fB-2dulA:
undetectable		 4v1fA-2dulA:
12.40
4v1fB-2dulA:
12.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 ALA A 235
ILE A 234
ALA A  82
TYR A  81
LEU A  93
 None
 1.05A 4v1fA-2e0wA:
undetectable
4v1fB-2e0wA:
undetectable		 4v1fA-2e0wA:
12.15
4v1fB-2e0wA:
12.15
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.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 ALA A 235
ILE A 234
ALA A  82
TYR A  81
LEU A  93
 None
 1.03A 4v1fA-2e0xA:
undetectable
4v1fB-2e0xA:
undetectable		 4v1fA-2e0xA:
14.48
4v1fB-2e0xA:
14.48
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.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida) 		PF11647
(MLD) 		5 ALA A 691
ALA A 690
ILE A 683
ALA A 711
LEU A 718
 None
 1.21A 4v1fA-2ec5A:
undetectable
4v1fB-2ec5A:
undetectable		 4v1fA-2ec5A:
9.04
4v1fB-2ec5A:
9.04
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.
2eh1 STAGE V SPORULATION
PROTEIN S (SPOVS)
RELATED PROTEIN

(Thermus
thermophilus) 		PF04232
(SpoVS) 		5 ALA A  45
ALA A  16
ILE A  19
ALA A  54
LEU A  23
 None
 1.13A 4v1fA-2eh1A:
undetectable
4v1fB-2eh1A:
undetectable		 4v1fA-2eh1A:
27.84
4v1fB-2eh1A:
27.84
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.
2ei0 1,2-DIHYDROXYNAPHTHA
LENE DIOXYGENASE

(Pseudomonas sp.
C18) 		PF00903
(Glyoxalase) 		4 GLU A 162
ALA A 163
PHE A 166
LEU A 169
 None
 0.35A 4v1fA-2ei0A:
undetectable
4v1fB-2ei0A:
undetectable		 4v1fA-2ei0A:
17.22
4v1fB-2ei0A:
17.22
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.
2ej5 ENOYL-COA HYDRATASE
SUBUNIT II

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 ALA A 101
ALA A 102
ILE A  55
ALA A  61
LEU A  20
 None
 1.20A 4v1fA-2ej5A:
undetectable
4v1fB-2ej5A:
undetectable		 4v1fA-2ej5A:
19.57
4v1fB-2ej5A:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f07 YVDT

(Bacillus
subtilis) 		PF00440
(TetR_N) 		5 ALA A  57
ALA A  59
ILE A  58
ALA A 110
LEU A 104
 None
 1.14A 4v1fA-2f07A:
undetectable
4v1fB-2f07A:
undetectable		 4v1fA-2f07A:
21.39
4v1fB-2f07A:
21.39
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.
2fep CATABOLITE CONTROL
PROTEIN A

(Bacillus
subtilis) 		PF13377
(Peripla_BP_3) 		5 ALA A 189
GLU A 219
ALA A 218
PHE A 183
LEU A 198
 None
 1.45A 4v1fA-2fepA:
undetectable
4v1fB-2fepA:
undetectable		 4v1fA-2fepA:
16.94
4v1fB-2fepA:
16.94
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.
2g0b FEEM

(uncultured
bacterium) 		no annotation 4 ALA A  18
ALA A  19
ILE A  22
ALA A   7
 None
 0.64A 4v1fA-2g0bA:
undetectable
4v1fB-2g0bA:
undetectable		 4v1fA-2g0bA:
20.74
4v1fB-2g0bA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gep SULFITE REDUCTASE
HEMOPROTEIN

(Escherichia
coli) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 ALA A 555
ILE A 557
GLU A 541
ALA A 539
LEU A 534
 None
 1.31A 4v1fA-2gepA:
undetectable
4v1fB-2gepA:
undetectable		 4v1fA-2gepA:
10.41
4v1fB-2gepA:
10.41
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 178
ALA A 176
ILE A 177
ALA A 191
LEU A 246
 None
 1.41A 4v1fA-2gp6A:
undetectable
4v1fB-2gp6A:
undetectable		 4v1fA-2gp6A:
12.21
4v1fB-2gp6A:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gv0 LYSOZYME C

(Pelodiscus
sinensis) 		PF00062
(Lys) 		5 ALA A  88
ILE A  90
TYR A   4
PHE A  39
LEU A   9
 None
 1.10A 4v1fA-2gv0A:
undetectable
4v1fB-2gv0A:
undetectable		 4v1fA-2gv0A:
17.60
4v1fB-2gv0A:
17.60
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.
2gv0 LYSOZYME C

(Pelodiscus
sinensis) 		PF00062
(Lys) 		5 ALA A  88
ILE A  90
TYR A   4
PHE A  39
LEU A   9
 None
 1.46A 4v1fA-2gv0A:
undetectable
4v1fB-2gv0A:
undetectable		 4v1fA-2gv0A:
17.60
4v1fB-2gv0A:
17.60
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.
2h6e D-ARABINOSE
1-DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 212
ALA A 217
ILE A 187
ALA A 242
LEU A 190
 None
 1.36A 4v1fA-2h6eA:
undetectable
4v1fB-2h6eA:
undetectable		 4v1fA-2h6eA:
13.53
4v1fB-2h6eA:
13.53
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.
2h9f HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF04303
(PrpF) 		4 ALA A 327
ALA A 328
ALA A 282
LEU A 337
 None
 0.65A 4v1fA-2h9fA:
undetectable
4v1fB-2h9fA:
undetectable		 4v1fA-2h9fA:
12.94
4v1fB-2h9fA:
12.94
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.
2ha9 UPF0210 PROTEIN
SP0239

(Streptococcus
pneumoniae) 		PF05167
(DUF711) 		4 ALA A  40
ALA A  41
ILE A  44
LEU A  99
 None
 0.51A 4v1fA-2ha9A:
undetectable
4v1fB-2ha9A:
undetectable		 4v1fA-2ha9A:
13.33
4v1fB-2ha9A:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 464
ILE A 468
ALA A 370
PHE A 371
LEU A 472
 HEM  A 900 (-3.6A)
None
None
None
None
 1.31A 4v1fA-2hi4A:
undetectable
4v1fB-2hi4A:
undetectable		 4v1fA-2hi4A:
11.52
4v1fB-2hi4A:
11.52
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.
2hyt TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pectobacterium
atrosepticum) 		PF00440
(TetR_N) 		4 ALA A 163
ALA A 164
ILE A 167
LEU A 100
 None
 0.58A 4v1fA-2hytA:
undetectable
4v1fB-2hytA:
undetectable		 4v1fA-2hytA:
20.63
4v1fB-2hytA:
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.
2igs HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF11508
(DUF3218) 		5 ALA A  39
ILE A  42
ALA A 213
PHE A 212
LEU A 208
 None
 0.91A 4v1fA-2igsA:
undetectable
4v1fB-2igsA:
undetectable		 4v1fA-2igsA:
17.05
4v1fB-2igsA:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iht CARBOXYETHYLARGININE
SYNTHASE

(Streptomyces
clavuligerus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 240
ILE A 245
ALA A 351
PHE A 353
LEU A 213
 None
 1.33A 4v1fA-2ihtA:
undetectable
4v1fB-2ihtA:
undetectable		 4v1fA-2ihtA:
9.27
4v1fB-2ihtA:
9.27
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.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 396
ALA A 213
ILE A 216
ALA A 442
LEU A 304
 None
 1.31A 4v1fA-2ix4A:
undetectable
4v1fB-2ix4A:
undetectable		 4v1fA-2ix4A:
13.88
4v1fB-2ix4A:
13.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ix8 ELONGATION FACTOR 3A

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran) 		5 ALA A1312
ALA A1266
ILE A1269
ALA A1231
PHE A1234
 None
 1.44A 4v1fA-2ix8A:
undetectable
4v1fB-2ix8A:
undetectable		 4v1fA-2ix8A:
6.59
4v1fB-2ix8A:
6.59
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.
2jft SER-THR PHOSPHATASE
MSPP

(Mycolicibacterium
smegmatis) 		PF13672
(PP2C_2) 		5 ALA A  48
ALA A  72
ALA A  57
PHE A  56
LEU A  65
 None
 1.29A 4v1fA-2jftA:
undetectable
4v1fB-2jftA:
undetectable		 4v1fA-2jftA:
16.67
4v1fB-2jftA:
16.67
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.
2jft SER-THR PHOSPHATASE
MSPP

(Mycolicibacterium
smegmatis) 		PF13672
(PP2C_2) 		5 ALA A  48
ALA A  72
ALA A  58
PHE A  56
LEU A  65
 None
 1.31A 4v1fA-2jftA:
undetectable
4v1fB-2jftA:
undetectable		 4v1fA-2jftA:
16.67
4v1fB-2jftA:
16.67
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.
2k9u GAMMA FILAMIN

(Homo sapiens) 		PF00630
(Filamin) 		5 ALA A  23
ILE A  41
ALA A  18
PHE A  91
LEU A  51
 None
 1.36A 4v1fA-2k9uA:
undetectable
4v1fB-2k9uA:
undetectable		 4v1fA-2k9uA:
23.28
4v1fB-2k9uA:
23.28
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.
2m6b FULL-LENGTH
TRANSMEMBRANE
DOMAINS OF HUMAN
GLYCINE RECEPTOR
ALPHA1 SUBUNIT

(Homo sapiens) 		PF02932
(Neur_chan_memb) 		5 ALA A 406
ILE A 409
ALA A 297
PHE A 295
LEU A 292
 None
 1.38A 4v1fA-2m6bA:
undetectable
4v1fB-2m6bA:
undetectable		 4v1fA-2m6bA:
20.13
4v1fB-2m6bA:
20.13
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.
2n3w 26S PROTEASOME
REGULATORY SUBUNIT
RPN1

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep) 		5 ALA A 498
ALA A 496
ILE A 495
ALA A 526
LEU A 491
 None
 1.02A 4v1fA-2n3wA:
undetectable
4v1fB-2n3wA:
undetectable		 4v1fA-2n3wA:
22.14
4v1fB-2n3wA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nlx XYLULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A 428
ALA A  74
ILE A   5
ALA A 165
LEU A 156
 None
 1.42A 4v1fA-2nlxA:
undetectable
4v1fB-2nlxA:
undetectable		 4v1fA-2nlxA:
9.71
4v1fB-2nlxA:
9.71
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.
2o0y TRANSCRIPTIONAL
REGULATOR

(Rhodococcus sp.) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		5 ALA A 247
ALA A 248
ILE A 251
ALA A 153
LEU A 116
 None
 1.47A 4v1fA-2o0yA:
undetectable
4v1fB-2o0yA:
undetectable		 4v1fA-2o0yA:
14.62
4v1fB-2o0yA:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2odo ALANINE RACEMASE

(Pseudomonas
fluorescens) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ALA A  41
ALA A  36
ILE A  32
TYR A 214
LEU A 213
 None
None
LLP  A  33 ( 4.3A)
None
None
 1.39A 4v1fA-2odoA:
undetectable
4v1fB-2odoA:
undetectable		 4v1fA-2odoA:
13.12
4v1fB-2odoA:
13.12
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.
2oej 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Geobacillus
kaustophilus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ALA A 258
ILE A 257
ALA A 263
PHE A 238
LEU A 214
 None
 1.24A 4v1fA-2oejA:
undetectable
4v1fB-2oejA:
undetectable		 4v1fA-2oejA:
13.50
4v1fB-2oejA:
13.50
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.
2ox4 PUTATIVE MANDELATE
RACEMASE

(Zymomonas
mobilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A  48
ALA A  49
ILE A  52
PHE A  90
 None
 0.45A 4v1fA-2ox4A:
undetectable
4v1fB-2ox4A:
undetectable		 4v1fA-2ox4A:
13.77
4v1fB-2ox4A:
13.77