SIMILAR PATTERNS OF AMINO ACIDS FOR 4XJ7_D_ADND303

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.
1eqc EXO-(B)-(1,3)-GLUCAN
ASE

(Candida
albicans) 		PF00150
(Cellulase) 		5 LEU A 189
GLY A 210
TYR A 211
SER A 213
ILE A 225
 None
 1.11A 4xj7C-1eqcA:
undetectable
4xj7D-1eqcA:
undetectable		 4xj7C-1eqcA:
19.81
4xj7D-1eqcA:
19.81
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.
1h8l CARBOXYPEPTIDASE
GP180 RESIDUES
503-882

(Lophonetta
specularioides) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 LEU A 180
LEU A 273
GLY A  80
ASN A  86
ILE A 271
 None
 1.01A 4xj7C-1h8lA:
undetectable
4xj7D-1h8lA:
undetectable		 4xj7C-1h8lA:
22.80
4xj7D-1h8lA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfi PHOSPHOGLUCOMUTASE 1

(Paramecium
tetraurelia) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A 317
LEU A 289
GLY A 304
ASP A 236
ILE A 291
 None
 1.09A 4xj7C-1kfiA:
undetectable
4xj7D-1kfiA:
undetectable		 4xj7C-1kfiA:
18.78
4xj7D-1kfiA:
18.78
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.
1l6r HYPOTHETICAL PROTEIN
TA0175

(Thermoplasma
acidophilum) 		PF08282
(Hydrolase_3) 		5 LEU A  13
GLY A 211
ASN A 193
ASP A 174
SER A 209
 None
None
CA  A 902 ( 4.3A)
CA  A 901 ( 3.2A)
None
 1.15A 4xj7C-1l6rA:
3.5
4xj7D-1l6rA:
3.5		 4xj7C-1l6rA:
22.58
4xj7D-1l6rA:
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.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		5 LEU A 149
GLY A 150
ASP A 120
ALA A 127
PRO A 176
 None
None
ZN  A1002 ( 4.8A)
None
None
 1.16A 4xj7C-1lfwA:
undetectable
4xj7D-1lfwA:
undetectable		 4xj7C-1lfwA:
21.14
4xj7D-1lfwA:
21.14
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.
1nkq HYPOTHETICAL 28.8
KDA PROTEIN IN
PSD1-SKO1 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF01557
(FAA_hydrolase) 		5 LEU A   6
LEU A  66
TYR A   3
ILE A  44
PRO A  73
 None
 1.15A 4xj7C-1nkqA:
undetectable
4xj7D-1nkqA:
undetectable		 4xj7C-1nkqA:
23.21
4xj7D-1nkqA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1whb KIAA0055

(Homo sapiens) 		PF00581
(Rhodanese) 		5 LEU A  93
LEU A 131
GLY A 134
TYR A 135
ILE A  35
 None
 1.08A 4xj7C-1whbA:
undetectable
4xj7D-1whbA:
undetectable		 4xj7C-1whbA:
20.45
4xj7D-1whbA:
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.
1x99 LECTIN

(Xerocomellus
chrysenteron) 		PF07367
(FB_lectin) 		5 LEU A  86
GLY A  85
SER A 120
ALA A  70
ILE A  95
 None
 0.95A 4xj7C-1x99A:
undetectable
4xj7D-1x99A:
undetectable		 4xj7C-1x99A:
20.39
4xj7D-1x99A:
20.39
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.
1y79 PEPTIDYL-DIPEPTIDASE
DCP

(Escherichia
coli) 		PF01432
(Peptidase_M3) 		5 LEU 1 478
LEU 1 407
SER 1 648
ALA 1 373
ILE 1 399
 None
 1.03A 4xj7C-1y791:
undetectable
4xj7D-1y791:
undetectable		 4xj7C-1y791:
17.67
4xj7D-1y791:
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.
1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE

(Spinacia
oleracea) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 LEU I 197
LEU I 195
GLY I 223
ALA I 297
ILE I 128
 None
 1.02A 4xj7C-1yveI:
2.5
4xj7D-1yveI:
2.2		 4xj7C-1yveI:
19.77
4xj7D-1yveI:
19.77
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.
1z69 COENZYME
F420-DEPENDENT
N(5),N(10)-METHYLENE
TETRAHYDROMETHANOPTE
RIN REDUCTASE

(Methanosarcina
barkeri) 		PF00296
(Bac_luciferase) 		5 LEU A  92
LEU A  90
GLY A  91
ASP A  35
ILE A 121
 None
 1.15A 4xj7C-1z69A:
undetectable
4xj7D-1z69A:
undetectable		 4xj7C-1z69A:
24.07
4xj7D-1z69A:
24.07
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.
1zl6 BOTULINUM NEUROTOXIN
TYPE E

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 LEU A 252
LEU A 259
TYR A 331
SER A 332
ILE A 262
 None
 0.98A 4xj7C-1zl6A:
undetectable
4xj7D-1zl6A:
undetectable		 4xj7C-1zl6A:
19.48
4xj7D-1zl6A:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bvt BETA-1,4-MANNANASE

(Cellulomonas
fimi) 		PF02156
(Glyco_hydro_26) 		5 LEU A 148
LEU A 204
ALA A 112
ILE A 151
PRO A 172
 None
 1.06A 4xj7C-2bvtA:
undetectable
4xj7D-2bvtA:
undetectable		 4xj7C-2bvtA:
22.35
4xj7D-2bvtA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		5 LEU A  65
LEU A  68
GLY A  61
ALA A 145
ILE A 138
 None
 1.16A 4xj7C-2cevA:
undetectable
4xj7D-2cevA:
undetectable		 4xj7C-2cevA:
24.30
4xj7D-2cevA:
24.30
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.
2dmm PROTEIN
DISULFIDE-ISOMERASE
A3

(Homo sapiens) 		PF00085
(Thioredoxin) 		5 LEU A  70
GLY A  71
ASP A  77
SER A  75
ALA A 135
 None
 1.13A 4xj7C-2dmmA:
undetectable
4xj7D-2dmmA:
undetectable		 4xj7C-2dmmA:
17.69
4xj7D-2dmmA:
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.
2f1k PREPHENATE
DEHYDROGENASE

(Synechocystis
sp. PCC 6803) 		PF02153
(PDH) 		5 LEU A  19
LEU A  26
GLY A  17
SER A  14
ILE A   3
 None
 1.00A 4xj7C-2f1kA:
4.0
4xj7D-2f1kA:
2.8		 4xj7C-2f1kA:
19.94
4xj7D-2f1kA:
19.94
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.
2hzr APOLIPOPROTEIN D

(Homo sapiens) 		PF08212
(Lipocalin_2) 		5 LEU A 101
LEU A 110
ASP A 124
SER A 113
ILE A 146
 None
 1.15A 4xj7C-2hzrA:
undetectable
4xj7D-2hzrA:
undetectable		 4xj7C-2hzrA:
19.63
4xj7D-2hzrA:
19.63
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.
2ii1 ACETAMIDASE

(Bacillus
halodurans) 		PF03069
(FmdA_AmdA) 		5 LEU A 182
GLY A 200
ASP A  80
ILE A 131
PRO A 162
 None
 1.12A 4xj7C-2ii1A:
undetectable
4xj7D-2ii1A:
undetectable		 4xj7C-2ii1A:
26.05
4xj7D-2ii1A:
26.05
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.
2j8i NP275

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		5 LEU A  37
LEU A  57
ASN A  51
SER A  33
ALA A  45
 None
 1.10A 4xj7C-2j8iA:
undetectable
4xj7D-2j8iA:
undetectable		 4xj7C-2j8iA:
23.02
4xj7D-2j8iA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j8i NP275

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		5 LEU A  57
LEU A  77
ASN A  71
SER A  53
ALA A  65
 None
 1.08A 4xj7C-2j8iA:
undetectable
4xj7D-2j8iA:
undetectable		 4xj7C-2j8iA:
23.02
4xj7D-2j8iA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nlz CEPHALOSPORIN
ACYLASE

(Bacillus
halodurans) 		PF01019
(G_glu_transpept) 		5 LEU A 138
LEU A 142
SER A 210
ALA A 125
ILE A  52
 None
 0.99A 4xj7C-2nlzA:
undetectable
4xj7D-2nlzA:
undetectable		 4xj7C-2nlzA:
20.19
4xj7D-2nlzA:
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.
2nlz CEPHALOSPORIN
ACYLASE

(Bacillus
halodurans) 		PF01019
(G_glu_transpept) 		5 LEU A 138
LEU A 142
SER A 210
ALA A 125
PRO A 123
 None
 1.17A 4xj7C-2nlzA:
undetectable
4xj7D-2nlzA:
undetectable		 4xj7C-2nlzA:
20.19
4xj7D-2nlzA:
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.
2o2x HYPOTHETICAL PROTEIN

(Mesorhizobium
loti) 		PF13242
(Hydrolase_like) 		5 LEU A 204
LEU A 205
GLY A 202
SER A 198
ILE A 208
 None
 1.16A 4xj7C-2o2xA:
2.9
4xj7D-2o2xA:
2.9		 4xj7C-2o2xA:
23.81
4xj7D-2o2xA:
23.81
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.
2o6w REPEAT FIVE RESIDUE
(RFR) PROTEIN OR
PENTAPEPTIDE REPEAT
PROTEIN

(Cyanothece) 		PF00805
(Pentapeptide) 		5 LEU A 117
LEU A 137
ASN A 131
SER A 113
ALA A 125
 None
 1.03A 4xj7C-2o6wA:
undetectable
4xj7D-2o6wA:
undetectable		 4xj7C-2o6wA:
21.43
4xj7D-2o6wA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o8e DNA MISMATCH REPAIR
PROTEIN MSH6

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 LEU B1131
ASP B1255
TYR B1256
SER B1257
ALA B1228
 None
 1.02A 4xj7C-2o8eB:
undetectable
4xj7D-2o8eB:
undetectable		 4xj7C-2o8eB:
14.53
4xj7D-2o8eB:
14.53
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.
2uy3 ENDOCHITINASE

(Saccharomyces
cerevisiae) 		PF00704
(Glyco_hydro_18) 		5 LEU A 200
LEU A 201
GLY A 198
SER A 196
ILE A 206
 None
 1.05A 4xj7C-2uy3A:
undetectable
4xj7D-2uy3A:
undetectable		 4xj7C-2uy3A:
22.05
4xj7D-2uy3A:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v4n MULTIFUNCTIONAL
PROTEIN SUR E

(Salmonella
enterica) 		PF01975
(SurE) 		8 GLY A  40
ASN A  96
ASP A 100
TYR A 103
SER A 104
ALA A 182
ILE A 199
PRO A 202
 PO4  A1257 ( 4.2A)
PO4  A1257 (-3.2A)
GOL  A1256 ( 3.7A)
GOL  A1256 ( 4.8A)
PO4  A1257 ( 3.9A)
GOL  A1256 ( 3.9A)
None
GOL  A1256 ( 4.3A)
 0.60A 4xj7C-2v4nA:
41.2
4xj7D-2v4nA:
41.6		 4xj7C-2v4nA:
99.61
4xj7D-2v4nA:
99.61
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.
2vzk GLUTAMATE
N-ACETYLTRANSFERASE
2 BETA CHAIN

(Streptomyces
clavuligerus) 		PF01960
(ArgJ) 		5 GLY B 311
ASP B 316
SER B 314
ALA B 273
ILE B 364
 None
 1.15A 4xj7C-2vzkB:
undetectable
4xj7D-2vzkB:
undetectable		 4xj7C-2vzkB:
25.68
4xj7D-2vzkB:
25.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wia FERROUS IRON
TRANSPORT PROTEIN B

(Klebsiella
pneumoniae) 		PF02421
(FeoB_N) 		5 LEU A 119
ASN A  11
ASP A  94
ALA A 125
ILE A 132
 None
 1.12A 4xj7C-2wiaA:
4.7
4xj7D-2wiaA:
4.7		 4xj7C-2wiaA:
25.51
4xj7D-2wiaA:
25.51
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.
2x40 BETA-GLUCOSIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 LEU A 543
GLY A 595
TYR A 596
ALA A 591
PRO A 590
 None
 1.13A 4xj7C-2x40A:
2.8
4xj7D-2x40A:
3.1		 4xj7C-2x40A:
16.76
4xj7D-2x40A:
16.76
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.
2ykf PROBABLE SENSOR
HISTIDINE KINASE
PDTAS

(Mycobacterium
tuberculosis) 		PF12282
(H_kinase_N) 		5 LEU A 215
LEU A 184
GLY A 188
ALA A 197
ILE A 276
 None
None
BR  A1300 ( 4.2A)
None
None
 1.11A 4xj7C-2ykfA:
undetectable
4xj7D-2ykfA:
undetectable		 4xj7C-2ykfA:
24.46
4xj7D-2ykfA:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynp COATOMER SUBUNIT
BETA'

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD) 		5 LEU A 300
LEU A   3
GLY A 301
ILE A 254
PRO A 241
 None
 1.12A 4xj7C-2ynpA:
undetectable
4xj7D-2ynpA:
undetectable		 4xj7C-2ynpA:
20.20
4xj7D-2ynpA:
20.20
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.
2z63 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 508
LEU A 532
ASN A 526
SER A 504
ALA A 515
 None
 0.89A 4xj7C-2z63A:
undetectable
4xj7D-2z63A:
undetectable		 4xj7C-2z63A:
18.95
4xj7D-2z63A:
18.95
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.
2z7r RIBOSOMAL PROTEIN S6
KINASE ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 171
LEU A 203
GLY A 174
ASP A 244
ILE A 193
 None
 0.98A 4xj7C-2z7rA:
undetectable
4xj7D-2z7rA:
undetectable		 4xj7C-2z7rA:
22.19
4xj7D-2z7rA:
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.
3a98 DEDICATOR OF
CYTOKINESIS PROTEIN
2
ENGULFMENT AND CELL
MOTILITY PROTEIN 1

(Homo sapiens) 		PF07653
(SH3_2)
PF16172
(DOCK_N)
PF16457
(PH_12) 		5 LEU B 701
GLY A  32
ASN A  18
ILE B 704
PRO B 707
 None
 0.88A 4xj7C-3a98B:
undetectable
4xj7D-3a98B:
undetectable		 4xj7C-3a98B:
21.59
4xj7D-3a98B:
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.
3b4t RIBONUCLEASE PH

(Mycobacterium
tuberculosis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A  99
LEU A  60
GLY A  96
SER A  92
ALA A 137
 None
 1.01A 4xj7C-3b4tA:
undetectable
4xj7D-3b4tA:
undetectable		 4xj7C-3b4tA:
24.83
4xj7D-3b4tA:
24.83
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.
3bhq TRANSCRIPTIONAL
REGULATOR

(Mesorhizobium
japonicum) 		PF00440
(TetR_N)
PF14246
(TetR_C_7) 		5 LEU A 169
LEU A 170
GLY A 167
SER A 163
ILE A  99
 None
 0.97A 4xj7C-3bhqA:
undetectable
4xj7D-3bhqA:
undetectable		 4xj7C-3bhqA:
22.61
4xj7D-3bhqA:
22.61
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.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A2029
LEU A1114
ASP A1094
SER A1117
ILE A1111
 None
 1.09A 4xj7C-3cmvA:
undetectable
4xj7D-3cmvA:
undetectable		 4xj7C-3cmvA:
11.64
4xj7D-3cmvA:
11.64
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.
3ebv CHINITASE A

(Streptomyces
coelicolor) 		PF00704
(Glyco_hydro_18) 		5 LEU A 124
LEU A 120
GLY A 123
ALA A 132
ILE A 118
 None
 1.09A 4xj7C-3ebvA:
undetectable
4xj7D-3ebvA:
undetectable		 4xj7C-3ebvA:
23.34
4xj7D-3ebvA:
23.34
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.
3efc OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR YAET

(Escherichia
coli) 		PF07244
(POTRA) 		5 LEU A 312
LEU A 311
GLY A 313
TYR A 317
ILE A 284
 None
 1.17A 4xj7C-3efcA:
undetectable
4xj7D-3efcA:
undetectable		 4xj7C-3efcA:
22.36
4xj7D-3efcA:
22.36
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.
3efm FERRIC ALCALIGIN
SIDEROPHORE RECEPTOR

(Bordetella
pertussis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 LEU A  74
GLY A  71
ASN A 116
ALA A 148
ILE A  80
 None
 1.17A 4xj7C-3efmA:
undetectable
4xj7D-3efmA:
undetectable		 4xj7C-3efmA:
17.51
4xj7D-3efmA:
17.51
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.
3fii BOTULINUM NEUROTOXIN
TYPE F

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 LEU A 268
LEU A 275
TYR A 349
SER A 350
ILE A 278
 None
 1.15A 4xj7C-3fiiA:
undetectable
4xj7D-3fiiA:
undetectable		 4xj7C-3fiiA:
20.28
4xj7D-3fiiA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fr8 PUTATIVE KETOL-ACID
REDUCTOISOMERASE
(OS05G0573700
PROTEIN)

(Oryza sativa) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 LEU A 197
LEU A 195
GLY A 223
ALA A 297
ILE A 128
 None
 1.04A 4xj7C-3fr8A:
2.4
4xj7D-3fr8A:
2.3		 4xj7C-3fr8A:
19.58
4xj7D-3fr8A:
19.58
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.
3gyd CYCLIC
NUCLEOTIDE-BINDING
DOMAIN

(Methylobacillus
flagellatus) 		PF00027
(cNMP_binding) 		5 LEU A  64
GLY A  96
ASP A  62
SER A  99
ALA A 125
 None
CMP  A 300 (-3.3A)
None
CMP  A 300 (-3.3A)
None
 1.17A 4xj7C-3gydA:
undetectable
4xj7D-3gydA:
undetectable		 4xj7C-3gydA:
23.59
4xj7D-3gydA:
23.59
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.
3h74 PYRIDOXAL KINASE

(Lactobacillus
plantarum) 		PF08543
(Phos_pyr_kin) 		5 LEU A 264
LEU A 265
GLY A 262
ALA A 217
ILE A 268
 None
 1.16A 4xj7C-3h74A:
undetectable
4xj7D-3h74A:
undetectable		 4xj7C-3h74A:
24.61
4xj7D-3h74A:
24.61
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.
3hhd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A 454
GLY A 441
ASP A 447
SER A 445
ILE A 830
 None
 1.12A 4xj7C-3hhdA:
undetectable
4xj7D-3hhdA:
undetectable		 4xj7C-3hhdA:
14.21
4xj7D-3hhdA:
14.21
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.
3k7y ASPARTATE
AMINOTRANSFERASE

(Plasmodium
falciparum) 		PF00155
(Aminotran_1_2) 		5 LEU A  69
GLY A  73
ASP A  76
SER A  78
ILE A 291
 None
 1.00A 4xj7C-3k7yA:
undetectable
4xj7D-3k7yA:
undetectable		 4xj7C-3k7yA:
19.10
4xj7D-3k7yA:
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.
3k8p DSL1

(Kluyveromyces
lactis) 		PF11989
(Dsl1_C) 		5 LEU C 545
LEU C 521
SER C 543
ALA C 553
ILE C 518
 None
 1.13A 4xj7C-3k8pC:
undetectable
4xj7D-3k8pC:
undetectable		 4xj7C-3k8pC:
21.49
4xj7D-3k8pC:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3msu CITRATE SYNTHASE

(Francisella
tularensis) 		PF00285
(Citrate_synt) 		5 LEU A 372
GLY A 369
ASN A 363
ALA A 389
ILE A 385
 None
 1.13A 4xj7C-3msuA:
undetectable
4xj7D-3msuA:
undetectable		 4xj7C-3msuA:
19.86
4xj7D-3msuA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o82 PEPTIDE ARYLATION
ENZYME

(Acinetobacter
baumannii) 		PF00501
(AMP-binding) 		5 LEU A 169
LEU A 158
GLY A 168
ALA A  97
ILE A 130
 None
 1.04A 4xj7C-3o82A:
undetectable
4xj7D-3o82A:
undetectable		 4xj7C-3o82A:
20.26
4xj7D-3o82A:
20.26
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 LEU A 586
LEU A 749
GLY A 585
ALA A  36
ILE A 748
 None
 1.12A 4xj7C-3o8lA:
4.9
4xj7D-3o8lA:
5.6		 4xj7C-3o8lA:
17.52
4xj7D-3o8lA:
17.52
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.
3pbi INVASION PROTEIN

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 GLY A 199
ASN A 176
ASP A 173
ALA A  54
PRO A  49
 None
 1.14A 4xj7C-3pbiA:
undetectable
4xj7D-3pbiA:
undetectable		 4xj7C-3pbiA:
24.53
4xj7D-3pbiA:
24.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pj0 LMO0305 PROTEIN

(Listeria
monocytogenes) 		PF01212
(Beta_elim_lyase) 		5 LEU A  16
GLY A  17
ASN A 289
SER A 334
ILE A 342
 None
 1.15A 4xj7C-3pj0A:
undetectable
4xj7D-3pj0A:
undetectable		 4xj7C-3pj0A:
21.89
4xj7D-3pj0A:
21.89
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.
3qdt BOLETUS EDULIS
LECTIN

(Boletus edulis) 		PF07367
(FB_lectin) 		5 LEU A  83
GLY A  82
SER A 117
ALA A  67
ILE A  92
 None
 0.94A 4xj7C-3qdtA:
undetectable
4xj7D-3qdtA:
undetectable		 4xj7C-3qdtA:
20.07
4xj7D-3qdtA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qlt GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 2

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 LEU A  68
GLY A  71
SER A 312
ILE A  75
PRO A  97
 None
 1.15A 4xj7C-3qltA:
4.3
4xj7D-3qltA:
3.8		 4xj7C-3qltA:
22.03
4xj7D-3qltA:
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.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		5 LEU X 383
GLY X 426
ASP X 108
SER X 116
ILE X 381
 None
None
None
PLP  X 502 ( 4.7A)
None
 1.13A 4xj7C-3ss7X:
undetectable
4xj7D-3ss7X:
undetectable		 4xj7C-3ss7X:
19.61
4xj7D-3ss7X:
19.61
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.
3tx1 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Listeria
monocytogenes) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 LEU A 116
LEU A 188
GLY A 115
ALA A 184
ILE A  93
 None
 0.93A 4xj7C-3tx1A:
undetectable
4xj7D-3tx1A:
undetectable		 4xj7C-3tx1A:
25.29
4xj7D-3tx1A:
25.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ty2 5'-NUCLEOTIDASE SURE

(Coxiella
burnetii) 		PF01975
(SurE) 		6 GLY A  51
ASN A 106
ASP A 110
TYR A 113
SER A 114
ALA A 194
 None
 0.61A 4xj7C-3ty2A:
35.8
4xj7D-3ty2A:
36.2		 4xj7C-3ty2A:
53.16
4xj7D-3ty2A:
53.16
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.
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 LEU A 431
LEU A 432
SER A 425
ALA A 297
ILE A 295
 LEU  A 431 ( 0.6A)
LEU  A 432 ( 0.5A)
SER  A 425 ( 0.0A)
ALA  A 297 ( 0.0A)
ILE  A 295 ( 0.6A)
 1.04A 4xj7C-3ulkA:
2.8
4xj7D-3ulkA:
2.6		 4xj7C-3ulkA:
20.28
4xj7D-3ulkA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum) 		PF13407
(Peripla_BP_4) 		5 LEU A 166
GLY A 164
TYR A 160
ALA A 116
ILE A 134
 None
 1.17A 4xj7C-3uugA:
3.0
4xj7D-3uugA:
3.1		 4xj7C-3uugA:
23.28
4xj7D-3uugA:
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.
4avo BETA-1,4-EXOCELLULAS
E

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		5 LEU A 197
GLY A 196
ASN A 153
ALA A 269
ILE A 252
 None
 1.14A 4xj7C-4avoA:
undetectable
4xj7D-4avoA:
undetectable		 4xj7C-4avoA:
22.49
4xj7D-4avoA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cgn GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Leishmania
major) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 LEU A  76
LEU A  75
TYR A  80
ALA A 127
ILE A  72
 None
None
MYA  A1001 (-4.6A)
None
None
 1.16A 4xj7C-4cgnA:
undetectable
4xj7D-4cgnA:
undetectable		 4xj7C-4cgnA:
20.38
4xj7D-4cgnA:
20.38
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.
4e3c INHIBITOR OF NUCLEAR
FACTOR KAPPA-B
KINASE SUBUNIT BETA

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 303
LEU A 307
ASN A  72
SER A 131
ALA A 212
 None
 1.03A 4xj7C-4e3cA:
undetectable
4xj7D-4e3cA:
undetectable		 4xj7C-4e3cA:
17.49
4xj7D-4e3cA:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fin ETTA (YJJK) ABCF
FAMILY PROTEIN

(Escherichia
coli) 		PF00005
(ABC_tran)
PF12848
(ABC_tran_Xtn) 		6 LEU A  48
LEU A  22
GLY A  44
ASP A  56
ALA A  63
ILE A  25
 None
None
SO4  A 601 (-3.1A)
None
None
None
 1.39A 4xj7C-4finA:
undetectable
4xj7D-4finA:
undetectable		 4xj7C-4finA:
18.85
4xj7D-4finA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hmw PYRIDOXAMINE
5'-PHOSPHATE OXIDASE

(Burkholderia
lata) 		PF01243
(Putative_PNPOx)
PF10590
(PNP_phzG_C) 		5 LEU A  51
LEU A  49
GLY A  97
SER A 111
ILE A  65
 None
None
None
None
FMN  A 301 (-4.0A)
 1.14A 4xj7C-4hmwA:
undetectable
4xj7D-4hmwA:
undetectable		 4xj7C-4hmwA:
23.27
4xj7D-4hmwA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n3s EUKARYOTIC
TRANSLATION
INITIATION FACTOR 5B

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		5 LEU A 664
LEU A 721
SER A 717
ALA A 709
ILE A 662
 None
None
EDO  A 903 (-2.9A)
None
None
 1.07A 4xj7C-4n3sA:
2.4
4xj7D-4n3sA:
undetectable		 4xj7C-4n3sA:
23.78
4xj7D-4n3sA:
23.78
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.
4nhu H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, L-D ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I) 		5 LEU E  81
GLY E  83
TYR E  85
ALA E 140
ILE E 203
 None
 1.16A 4xj7C-4nhuE:
undetectable
4xj7D-4nhuE:
undetectable		 4xj7C-4nhuE:
21.94
4xj7D-4nhuE:
21.94
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.
4q2b ENDO-1,4-BETA-D-GLUC
ANASE

(Pseudomonas
putida) 		PF01270
(Glyco_hydro_8) 		5 LEU A 144
LEU A 125
GLY A 141
ALA A  85
ILE A 121
 None
 1.13A 4xj7C-4q2bA:
undetectable
4xj7D-4q2bA:
undetectable		 4xj7C-4q2bA:
23.98
4xj7D-4q2bA:
23.98
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.
4rl3 CHITINASE A

(Pteris
ryukyuensis) 		PF00704
(Glyco_hydro_18) 		5 LEU A 230
LEU A 264
ASN A 169
ASP A 160
ILE A 242
 None
 1.12A 4xj7C-4rl3A:
undetectable
4xj7D-4rl3A:
undetectable		 4xj7C-4rl3A:
22.36
4xj7D-4rl3A:
22.36
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.
4u0g ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1

(Mycobacterium
tuberculosis) 		PF00574
(CLP_protease) 		5 LEU H 103
LEU H  32
GLY H 100
SER H  98
ALA H  76
 None
None
None
ZIL  H 301 ( 2.9A)
None
 1.12A 4xj7C-4u0gH:
undetectable
4xj7D-4u0gH:
undetectable		 4xj7C-4u0gH:
24.07
4xj7D-4u0gH:
24.07
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.
4w91 AMINOTRANSFERASE

(Brucella suis) 		PF00266
(Aminotran_5) 		5 LEU A 324
LEU A 330
GLY A 325
ASN A 335
ALA A 388
 None
 1.16A 4xj7C-4w91A:
undetectable
4xj7D-4w91A:
undetectable		 4xj7C-4w91A:
23.43
4xj7D-4w91A:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y7v NUCLEOTIDYL
TRANSFERASE

(Pseudomonas
putida) 		PF00483
(NTP_transferase) 		6 LEU A  64
LEU A  38
GLY A  67
SER A  73
ALA A   7
ILE A  34
 None
 1.37A 4xj7C-4y7vA:
3.0
4xj7D-4y7vA:
3.0		 4xj7C-4y7vA:
22.79
4xj7D-4y7vA:
22.79
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.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		5 LEU A  87
LEU A 107
ASN A 101
SER A  83
ALA A  95
 None
 1.14A 4xj7C-4yeiA:
undetectable
4xj7D-4yeiA:
undetectable		 4xj7C-4yeiA:
27.43
4xj7D-4yeiA:
27.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		5 LEU A 117
LEU A 137
ASN A 131
SER A 113
ALA A 125
 None
 1.04A 4xj7C-4yeiA:
undetectable
4xj7D-4yeiA:
undetectable		 4xj7C-4yeiA:
27.43
4xj7D-4yeiA:
27.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yn8 RESPONSE REGULATOR
CHRA

(Corynebacterium
diphtheriae) 		PF00072
(Response_reg)
PF00196
(GerE) 		5 GLY A  36
ASP A   9
SER A  34
ALA A  83
ILE A  59
 None
MG  A 204 (-4.0A)
SO4  A 201 (-4.2A)
SO4  A 200 (-3.5A)
None
 1.07A 4xj7C-4yn8A:
4.7
4xj7D-4yn8A:
4.7		 4xj7C-4yn8A:
26.42
4xj7D-4yn8A:
26.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zg5 5'-NUCLEOTIDASE SURE

(Brucella
abortus) 		no annotation 5 GLY D  41
ASN D  96
ASP D 100
TYR D 103
SER D 104
 None
 0.75A 4xj7C-4zg5D:
31.0
4xj7D-4zg5D:
31.1		 4xj7C-4zg5D:
38.18
4xj7D-4zg5D:
38.18
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.
5b4c UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Pseudomonas
aeruginosa) 		PF00149
(Metallophos) 		5 LEU A 105
GLY A 107
TYR A 106
ALA A  35
ILE A 103
 None
None
GOL  A 303 (-3.4A)
None
None
 0.91A 4xj7C-5b4cA:
undetectable
4xj7D-5b4cA:
undetectable		 4xj7C-5b4cA:
24.49
4xj7D-5b4cA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cd2 ENDO-1,4-D-GLUCANASE

(Aliivibrio
fischeri) 		PF01270
(Glyco_hydro_8) 		5 LEU A 164
LEU A 145
GLY A 161
ALA A 105
ILE A 141
 None
 1.16A 4xj7C-5cd2A:
undetectable
4xj7D-5cd2A:
undetectable		 4xj7C-5cd2A:
21.11
4xj7D-5cd2A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cl2 SPORULATION-CONTROL
PROTEIN SPO0M

(Bacillus
subtilis) 		PF07070
(Spo0M) 		5 LEU A 202
LEU A 239
GLY A 201
ALA A 136
PRO A 138
 None
 1.14A 4xj7C-5cl2A:
undetectable
4xj7D-5cl2A:
undetectable		 4xj7C-5cl2A:
20.75
4xj7D-5cl2A:
20.75
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.
5dtb CG3822

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 LEU A 142
GLY A 144
ASN A  76
SER A  67
ALA A  92
 GLU  A 301 ( 3.6A)
GOL  A 302 (-3.8A)
None
GOL  A 302 (-4.1A)
None
 1.12A 4xj7C-5dtbA:
undetectable
4xj7D-5dtbA:
undetectable		 4xj7C-5dtbA:
22.30
4xj7D-5dtbA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dtb CG3822

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 LEU A 142
GLY A 145
ASN A  76
SER A  67
ALA A  92
 GLU  A 301 ( 3.6A)
GOL  A 302 ( 3.4A)
None
GOL  A 302 (-4.1A)
None
 1.05A 4xj7C-5dtbA:
undetectable
4xj7D-5dtbA:
undetectable		 4xj7C-5dtbA:
22.30
4xj7D-5dtbA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eeb ALDEHYDE
DEHYDROGENASE

(Pyrobaculum
ferrireducens) 		PF00171
(Aldedh) 		5 GLY A 236
SER A 233
ALA A 180
ILE A 151
PRO A 153
 None
 0.94A 4xj7C-5eebA:
3.4
4xj7D-5eebA:
3.3		 4xj7C-5eebA:
21.03
4xj7D-5eebA:
21.03
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.
5ekz TRANSLATIONAL
ACTIVATOR OF
CYTOCHROME C OXIDASE
1

(Mus musculus) 		PF01709
(Transcrip_reg) 		5 LEU A 276
GLY A 139
ASN A 292
ASP A 291
SER A 144
 None
 1.13A 4xj7C-5ekzA:
undetectable
4xj7D-5ekzA:
undetectable		 4xj7C-5ekzA:
21.47
4xj7D-5ekzA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmf DNA REPAIR HELICASE
RAD25, SSL2

(Saccharomyces
cerevisiae) 		PF04851
(ResIII)
PF16203
(ERCC3_RAD25_C) 		5 LEU 1 654
GLY 1 658
ASP 1 663
SER 1 661
ILE 1 606
 None
 1.08A 4xj7C-5fmf1:
undetectable
4xj7D-5fmf1:
undetectable		 4xj7C-5fmf1:
20.52
4xj7D-5fmf1:
20.52
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.
5gne LEUCINE
AMINOPEPTIDASE

(Legionella
pneumophila) 		PF04389
(Peptidase_M28) 		6 LEU A 287
GLY A 230
ASN A 140
SER A 228
ALA A 238
ILE A 210
 None
 1.39A 4xj7C-5gneA:
3.0
4xj7D-5gneA:
3.1		 4xj7C-5gneA:
20.05
4xj7D-5gneA:
20.05
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.
5gs0 TOLL-LIKE RECEPTOR 3

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 593
GLY A 594
ASN A 645
ALA A 633
ILE A 591
 None
 1.14A 4xj7C-5gs0A:
undetectable
4xj7D-5gs0A:
undetectable		 4xj7C-5gs0A:
15.48
4xj7D-5gs0A:
15.48
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 LEU B 758
LEU B 715
ASP B 687
ALA B 739
ILE B 754
 None
 1.17A 4xj7C-5gztB:
undetectable
4xj7D-5gztB:
undetectable		 4xj7C-5gztB:
13.09
4xj7D-5gztB:
13.09
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.
5i2x ADRENOCORTICAL
DYSPLASIA PROTEIN
HOMOLOG

(Homo sapiens) 		PF10341
(TPP1) 		5 LEU A 181
LEU A 183
GLY A 115
SER A 147
ALA A 142
 None
 1.08A 4xj7C-5i2xA:
undetectable
4xj7D-5i2xA:
undetectable		 4xj7C-5i2xA:
22.09
4xj7D-5i2xA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 531
LEU A 546
GLY A 533
SER A 535
PRO A 586
 None
 1.11A 4xj7C-5i51A:
2.7
4xj7D-5i51A:
undetectable		 4xj7C-5i51A:
17.88
4xj7D-5i51A:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 LEU B 454
GLY B 441
ASP B 447
SER B 445
ILE B 830
 None
 1.11A 4xj7C-5my0B:
undetectable
4xj7D-5my0B:
undetectable		 4xj7C-5my0B:
16.02
4xj7D-5my0B:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 LEU A3679
ASP A3642
TYR A3641
SER A3640
ILE A3677
 None
 0.89A 4xj7C-5nugA:
undetectable
4xj7D-5nugA:
undetectable		 4xj7C-5nugA:
4.62
4xj7D-5nugA:
4.62
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.
5ofk GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF00331
(Glyco_hydro_10) 		5 LEU A 299
GLY A 298
ASP A 302
TYR A 303
SER A 304
 None
 1.09A 4xj7C-5ofkA:
undetectable
4xj7D-5ofkA:
undetectable		 4xj7C-5ofkA:
22.13
4xj7D-5ofkA:
22.13
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.
5oh5 RIDL

(Legionella
pneumophila) 		no annotation 5 LEU A 120
LEU A 150
GLY A 119
ASP A 124
ALA A 130
 None
 1.08A 4xj7C-5oh5A:
undetectable
4xj7D-5oh5A:
undetectable		 4xj7C-5oh5A:
19.42
4xj7D-5oh5A:
19.42
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.
5umf RIBULOSE-PHOSPHATE
3-EPIMERASE

(Neisseria
gonorrhoeae) 		PF00834
(Ribul_P_3_epim) 		5 LEU A 114
LEU A 102
GLY A 113
ALA A  94
ILE A  98
 None
 1.17A 4xj7C-5umfA:
undetectable
4xj7D-5umfA:
undetectable		 4xj7C-5umfA:
25.96
4xj7D-5umfA:
25.96
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.
5vha DEAH
(ASP-GLU-ALA-HIS)
BOX POLYPEPTIDE 36

(Bos taurus) 		no annotation 5 LEU A 616
GLY A 571
ASN A 502
ALA A 479
ILE A 403
 None
 1.12A 4xj7C-5vhaA:
undetectable
4xj7D-5vhaA:
undetectable		 4xj7C-5vhaA:
13.03
4xj7D-5vhaA:
13.03
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.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 GLY B  17
ASN B  65
SER B   8
ILE B  24
PRO B  61
 None
 1.12A 4xj7C-5w3jB:
2.3
4xj7D-5w3jB:
undetectable		 4xj7C-5w3jB:
19.29
4xj7D-5w3jB:
19.29
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.
5wyh INTERAPTIN

(Legionella
pneumophila) 		no annotation 5 LEU B 120
LEU B 150
GLY B 119
ASP B 124
ALA B 130
 None
 1.07A 4xj7C-5wyhB:
undetectable
4xj7D-5wyhB:
undetectable		 4xj7C-5wyhB:
13.16
4xj7D-5wyhB:
13.16
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.
5zbi PEPTIDE ASPARAGINYL
LIGASE

(Viola
canadensis) 		no annotation 5 LEU A 172
GLY A 173
ASN A  61
SER A  56
ALA A 229
 None
 1.12A 4xj7C-5zbiA:
undetectable
4xj7D-5zbiA:
3.1		 4xj7C-5zbiA:
16.22
4xj7D-5zbiA:
16.22
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.
6dft -

(-) 		no annotation 5 LEU B  45
GLY B  46
ASN B  33
TYR B  35
ILE B 320
 None
 1.10A 4xj7C-6dftB:
undetectable
4xj7D-6dftB:
undetectable		 4xj7C-6dftB:
undetectable
4xj7D-6dftB:
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.
9atc ASPARTATE
TRANSCARBAMOYLASE

(Escherichia
coli) 		PF01948
(PyrI)
PF02748
(PyrI_C) 		5 LEU B 136
SER B 124
ALA B  75
ILE B 134
PRO B 100
 None
 1.15A 4xj7C-9atcB:
undetectable
4xj7D-9atcB:
undetectable		 4xj7C-9atcB:
21.51
4xj7D-9atcB:
21.51