SIMILAR PATTERNS OF AMINO ACIDS FOR 2XKW_A_P1BA1478

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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 SER A 146
ILE A 127
MET A  49
LEU A 187
TYR A 179
 None
 1.01A 2xkwA-1juvA:
0.0		 2xkwA-1juvA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k7s FERRICHROME-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		5 PHE N 238
LEU N 227
MET N 246
MET N 188
LEU N 177
 None
 1.46A 2xkwA-1k7sN:
undetectable		 2xkwA-1k7sN:
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.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 HIS A 369
TYR A 374
LEU A 377
ILE A 164
HIS A 216
 None
 1.28A 2xkwA-1ry2A:
0.0		 2xkwA-1ry2A:
18.84
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.
1vgp 373AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		5 PHE A 322
SER A 333
HIS A 149
ILE A  94
LEU A 174
 None
 1.35A 2xkwA-1vgpA:
0.0		 2xkwA-1vgpA:
22.88
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.
2av9 THIOESTERASE

(Pseudomonas
aeruginosa) 		PF03061
(4HBT) 		5 TYR A  98
LEU A  86
ILE A  18
HIS A 118
LEU A  54
 None
 1.41A 2xkwA-2av9A:
undetectable		 2xkwA-2av9A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 PHE A 768
SER A 775
LEU A 316
ILE A 730
LEU A 285
 None
 1.30A 2xkwA-2iukA:
0.0		 2xkwA-2iukA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jbr P-HYDROXYPHENYLACETA
TE HYDROXYLASE C2
OXYGENASE COMPONENT

(Acinetobacter
baumannii) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 SER A 170
LEU A 116
ILE A 215
MET A 392
LEU A 223
 None
 1.45A 2xkwA-2jbrA:
0.0		 2xkwA-2jbrA:
21.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 CYH A 276
ILE A 339
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-2.9A)
735  A 469 ( 4.1A)
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 1.42A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 CYH A 276
MET A 355
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-2.9A)
735  A 469 (-2.9A)
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.91A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 321
ILE A 339
HIS A 440
LEU A 460
TYR A 464
 735  A 469 ( 4.3A)
735  A 469 ( 4.1A)
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 1.04A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 PHE A 273
CYH A 276
ILE A 339
LEU A 460
TYR A 464
 735  A 469 (-3.7A)
735  A 469 (-2.9A)
735  A 469 ( 4.1A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 1.31A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 PHE A 273
CYH A 276
MET A 355
LEU A 460
TYR A 464
 735  A 469 (-3.7A)
735  A 469 (-2.9A)
735  A 469 (-2.9A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.97A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 PHE A 273
LEU A 321
ILE A 339
LEU A 460
TYR A 464
 735  A 469 (-3.7A)
735  A 469 ( 4.3A)
735  A 469 ( 4.1A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 1.47A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 PHE A 273
SER A 280
LEU A 321
MET A 355
LEU A 460
TYR A 464
 735  A 469 (-3.7A)
735  A 469 (-2.8A)
735  A 469 ( 4.3A)
735  A 469 (-2.9A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.70A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 SER A 280
LEU A 321
MET A 355
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-2.8A)
735  A 469 ( 4.3A)
735  A 469 (-2.9A)
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.63A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
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.
2wqp POLYSIALIC ACID
CAPSULE BIOSYNTHESIS
PROTEIN SIAC

(Neisseria
meningitidis) 		PF03102
(NeuB)
PF08666
(SAF) 		5 PHE A 112
SER A 132
LEU A 180
ILE A 151
TYR A 186
 WQP  A1350 (-4.6A)
WQP  A1350 (-2.7A)
None
None
WQP  A1350 (-3.9A)
 1.48A 2xkwA-2wqpA:
undetectable		 2xkwA-2wqpA:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 PHE A 282
CYH A 285
HIS A 323
TYR A 327
LEU A 330
ILE A 341
MET A 348
MET A 364
HIS A 449
LEU A 469
TYR A 473
 MC5  A   1 (-4.4A)
MC5  A   1 (-3.6A)
MC5  A   1 (-3.8A)
None
MC5  A   1 (-4.4A)
MC5  A   1 (-4.5A)
MC5  A   1 ( 4.0A)
MC5  A   1 (-3.7A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
 0.48A 2xkwA-3b0qA:
42.6		 2xkwA-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 PHE A 282
SER A 289
HIS A 323
TYR A 327
LEU A 330
ILE A 341
MET A 348
MET A 364
HIS A 449
LEU A 469
TYR A 473
 MC5  A   1 (-4.4A)
MC5  A   1 (-2.6A)
MC5  A   1 (-3.8A)
None
MC5  A   1 (-4.4A)
MC5  A   1 (-4.5A)
MC5  A   1 ( 4.0A)
MC5  A   1 (-3.7A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
 0.47A 2xkwA-3b0qA:
42.6		 2xkwA-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 CYH A 285
HIS A 323
LEU A 330
HIS A 449
LEU A 469
TYR A 473
 L41  A 501 (-3.5A)
L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
L41  A 501 (-3.9A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
 0.88A 2xkwA-3d5fA:
36.3		 2xkwA-3d5fA:
61.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 PHE A 282
CYH A 285
HIS A 323
LEU A 330
LEU A 469
TYR A 473
 L41  A 501 ( 4.9A)
L41  A 501 (-3.5A)
L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
 0.86A 2xkwA-3d5fA:
36.3		 2xkwA-3d5fA:
61.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 CYH D 285
HIS D 323
TYR D 327
HIS D 449
TYR D 473
 PLB  D 701 (-3.2A)
None
None
None
None
 1.22A 2xkwA-3dzuD:
37.5		 2xkwA-3dzuD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		9 CYH D 285
SER D 289
LEU D 330
ILE D 341
MET D 348
MET D 364
HIS D 449
LEU D 469
TYR D 473
 PLB  D 701 (-3.2A)
PLB  D 701 ( 3.9A)
PLB  D 701 ( 4.1A)
PLB  D 701 (-3.6A)
PLB  D 701 ( 4.7A)
PLB  D 701 ( 4.8A)
None
None
None
 0.69A 2xkwA-3dzuD:
37.5		 2xkwA-3dzuD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		9 CYH D 285
TYR D 327
LEU D 330
ILE D 341
MET D 348
MET D 364
HIS D 449
LEU D 469
TYR D 473
 PLB  D 701 (-3.2A)
None
PLB  D 701 ( 4.1A)
PLB  D 701 (-3.6A)
PLB  D 701 ( 4.7A)
PLB  D 701 ( 4.8A)
None
None
None
 0.84A 2xkwA-3dzuD:
37.5		 2xkwA-3dzuD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		9 PHE D 282
CYH D 285
SER D 289
LEU D 330
ILE D 341
MET D 348
MET D 364
LEU D 469
TYR D 473
 None
PLB  D 701 (-3.2A)
PLB  D 701 ( 3.9A)
PLB  D 701 ( 4.1A)
PLB  D 701 (-3.6A)
PLB  D 701 ( 4.7A)
PLB  D 701 ( 4.8A)
None
None
 0.49A 2xkwA-3dzuD:
37.5		 2xkwA-3dzuD:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ix1 N-FORMYL-4-AMINO-5-A
MINOMETHYL-2-METHYLP
YRIMIDINE BINDING
PROTEIN

(Bacillus
halodurans) 		PF09084
(NMT1) 		5 PHE A 294
HIS A  45
LEU A 280
MET A 249
LEU A 219
 None
 1.50A 2xkwA-3ix1A:
undetectable		 2xkwA-3ix1A:
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.
3pv6 IG-LIKE
DOMAIN-CONTAINING
PROTEIN
DKFZP686O24166/DKFZP
686I21167
NATURAL CYTOTOXICITY
TRIGGERING RECEPTOR
3

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER A  60
TYR A  52
LEU A  56
ILE A  63
LEU B  86
 None
 1.50A 2xkwA-3pv6A:
undetectable		 2xkwA-3pv6A:
22.18
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.
3qkw NUCLEOTIDE SUGAR
SYNTHETASE-LIKE
PROTEIN

(Streptococcus
parasanguinis) 		no annotation 5 TYR A 238
LEU A 105
ILE A 118
MET A 143
MET A 134
 None
 1.16A 2xkwA-3qkwA:
undetectable		 2xkwA-3qkwA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hi0 UREASE ACCESSORY
PROTEIN UREG

(Helicobacter
pylori) 		PF02492
(cobW) 		5 PHE E 118
CYH E   7
SER E  99
HIS E  68
ILE E   4
 None
 1.39A 2xkwA-4hi0E:
undetectable		 2xkwA-4hi0E:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 PHE A 265
TYR A 496
ILE A 284
LEU A 443
TYR A 439
 None
 1.40A 2xkwA-4jsoA:
undetectable		 2xkwA-4jsoA:
18.35
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.
4oxi ENTEROBACTIN
SYNTHETASE COMPONENT
F-RELATED PROTEIN

(Vibrio cholerae) 		PF00501
(AMP-binding) 		5 SER A  92
TYR A  56
LEU A  49
ILE A 253
LEU A 154
 None
 1.44A 2xkwA-4oxiA:
undetectable		 2xkwA-4oxiA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		5 SER A 462
LEU A 474
ILE A 229
LEU A 243
TYR A 247
 None
 1.36A 2xkwA-4xnuA:
undetectable		 2xkwA-4xnuA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		5 PHE A1305
HIS A1417
LEU A1565
HIS A1456
TYR A1413
 None
 1.39A 2xkwA-4xqkA:
undetectable		 2xkwA-4xqkA:
11.23
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.
5e0c CELLULASE

(Bacillus sp.
BG-CS10) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		5 PHE A 272
HIS A 329
LEU A 290
ILE A 284
TYR A  55
 None
 1.47A 2xkwA-5e0cA:
undetectable		 2xkwA-5e0cA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l2p ARYLESTERASE

(Sulfolobus
solfataricus) 		PF07859
(Abhydrolase_3) 		5 HIS A  82
LEU A  38
ILE A  19
LEU A 116
TYR A 114
 None
 1.26A 2xkwA-5l2pA:
undetectable		 2xkwA-5l2pA:
22.67
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.
5mra SORCIN

(Homo sapiens) 		no annotation 5 PHE A  70
SER A  61
LEU A  35
ILE A  49
MET A  90
 None
 1.27A 2xkwA-5mraA:
undetectable		 2xkwA-5mraA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		4 GLU B 270
GLN B 300
ALA B 306
ILE B 308
 None
 0.80A 2xkwA-1a6dB:
0.2		 2xkwA-1a6dB:
18.92
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.
1chm CREATINE
AMIDINOHYDROLASE

(Pseudomonas
putida) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 GLU A 144
ILE A  40
ALA A 114
ILE A  76
 None
 0.84A 2xkwA-1chmA:
undetectable		 2xkwA-1chmA:
22.34
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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 LEU C 572
GLU C 263
ILE C 283
ILE A  10
 None
 0.64A 2xkwA-1d7wC:
0.0		 2xkwA-1d7wC:
20.51
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 LEU A 181
ILE A 223
ALA A 260
ILE A 238
 None
 0.85A 2xkwA-1gq1A:
0.0		 2xkwA-1gq1A:
19.12
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.
1hlk BETA-LACTAMASE, TYPE
II

(Bacteroides
fragilis) 		no annotation 4 LEU A  88
ILE A  58
ALA A  44
ILE A  72
 None
 0.80A 2xkwA-1hlkA:
undetectable		 2xkwA-1hlkA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hlm HEMOGLOBIN (CYANO
MET)

(Molpadia
arenicola) 		PF00042
(Globin) 		5 LEU A  12
GLU A  16
ILE A  20
GLN A  26
ALA A 127
 None
 1.42A 2xkwA-1hlmA:
undetectable		 2xkwA-1hlmA:
19.34
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.
1hzv NITRITE REDUCTASE

(Pseudomonas
aeruginosa) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 LEU A 163
ILE A 205
ALA A 242
ILE A 220
 None
 0.82A 2xkwA-1hzvA:
undetectable		 2xkwA-1hzvA:
21.45
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.
1ivh ISOVALERYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 LEU A  55
ILE A  86
ALA A 375
ILE A 332
 None
None
COS  A 400 (-4.8A)
None
 0.71A 2xkwA-1ivhA:
0.0		 2xkwA-1ivhA:
21.29
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.
1jqi SHORT CHAIN ACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 LEU A  10
ILE A  76
ALA A 332
ILE A 258
 None
 0.81A 2xkwA-1jqiA:
0.0		 2xkwA-1jqiA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n61 CARBON MONOXIDE
DEHYDROGENASE MEDIUM
CHAIN

(Oligotropha
carboxidovorans) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 LEU C 138
GLU C 165
ALA C  46
ILE C  40
 None
 0.74A 2xkwA-1n61C:
0.0		 2xkwA-1n61C:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nnl L-3-PHOSPHOSERINE
PHOSPHATASE

(Homo sapiens) 		PF00702
(Hydrolase) 		4 LEU A   7
GLU A 218
ILE A 194
ILE A 125
 None
 0.73A 2xkwA-1nnlA:
undetectable		 2xkwA-1nnlA:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ozh ACETOLACTATE
SYNTHASE, CATABOLIC

(Klebsiella
pneumoniae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 LEU A 521
GLU A 522
ILE A 376
ILE A 415
 None
 0.81A 2xkwA-1ozhA:
undetectable		 2xkwA-1ozhA:
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.
1qc5 PROTEIN (ALPHA1
BETA1 INTEGRIN)

(Homo sapiens) 		PF00092
(VWA) 		4 LEU B 452
GLU B 488
ILE B 416
ILE B 521
 None
 0.78A 2xkwA-1qc5B:
undetectable		 2xkwA-1qc5B:
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.
1qst TGCN5 HISTONE ACETYL
TRANSFERASE

(Tetrahymena
thermophila) 		PF00583
(Acetyltransf_1) 		4 LEU A  49
ILE A 107
GLN A  76
ILE A  85
 None
 0.73A 2xkwA-1qstA:
undetectable		 2xkwA-1qstA:
20.98
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.
1rzm PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		4 ILE A 183
ARG A 208
ALA A 254
ILE A 258
 None
 0.85A 2xkwA-1rzmA:
undetectable		 2xkwA-1rzmA:
23.77
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.
1uaa PROTEIN
(ATP-DEPENDENT DNA
HELICASE REP.)

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 LEU A 181
ILE A  92
ALA A  51
ILE A 208
 None
 0.78A 2xkwA-1uaaA:
undetectable		 2xkwA-1uaaA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uek 4-(CYTIDINE
5'-DIPHOSPHO)-2C-MET
HYL-D-ERYTHRITOL
KINASE

(Thermus
thermophilus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 LEU A  48
ILE A  79
GLN A 100
ILE A  85
 None
 0.82A 2xkwA-1uekA:
undetectable		 2xkwA-1uekA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		4 GLU A 275
ILE A 698
ALA A 288
ILE A 324
 None
 0.76A 2xkwA-1w27A:
undetectable		 2xkwA-1w27A:
17.89
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.
1xi6 EXTRAGENIC
SUPPRESSOR

(Pyrococcus
furiosus) 		PF00459
(Inositol_P) 		4 LEU A  53
ILE A  13
ALA A 181
ILE A 209
 None
 0.76A 2xkwA-1xi6A:
undetectable		 2xkwA-1xi6A:
24.33
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.
1xyz 1,4-BETA-D-XYLAN-XYL
ANOHYDROLASE

(Ruminiclostridium
thermocellum) 		PF00331
(Glyco_hydro_10) 		4 LEU A 583
GLU A 587
ILE A 637
ILE A 749
 None
 0.62A 2xkwA-1xyzA:
undetectable		 2xkwA-1xyzA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ym5 HYPOTHETICAL 32.6
KDA PROTEIN IN
DAP2-SLT2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF02567
(PhzC-PhzF) 		4 GLU A 131
ILE A 163
ALA A 266
ILE A 252
 None
 0.86A 2xkwA-1ym5A:
undetectable		 2xkwA-1ym5A:
22.43
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.
1zrt UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT

(Rhodobacter
capsulatus) 		PF00355
(Rieske)
PF10399
(UCR_Fe-S_N) 		4 LEU E 190
ILE E  74
ALA E  85
ILE E  82
 None
 0.81A 2xkwA-1zrtE:
undetectable		 2xkwA-1zrtE:
20.83
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.
2acg PROFILIN II

(Acanthamoeba
castellanii) 		PF00235
(Profilin) 		4 GLU A  61
GLN A  18
ALA A 109
ILE A 104
 None
 0.69A 2xkwA-2acgA:
undetectable		 2xkwA-2acgA:
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.
2cfm THERMOSTABLE DNA
LIGASE

(Pyrococcus
furiosus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 GLU A 150
ILE A 113
GLN A 118
ALA A 124
 None
 0.75A 2xkwA-2cfmA:
undetectable		 2xkwA-2cfmA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dg0 DRP35

(Staphylococcus
aureus) 		PF08450
(SGL) 		4 ILE A 266
GLN A 268
ALA A  34
ILE A 296
 None
 0.77A 2xkwA-2dg0A:
undetectable		 2xkwA-2dg0A:
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.
2e8y AMYX PROTEIN

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 LEU A 634
GLU A 632
ILE A 658
ALA A 615
 None
 0.79A 2xkwA-2e8yA:
undetectable		 2xkwA-2e8yA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f8l HYPOTHETICAL PROTEIN
LMO1582

(Listeria
monocytogenes) 		PF02384
(N6_Mtase) 		4 LEU A 308
ILE A 105
GLN A 139
ILE A 122
 None
 0.83A 2xkwA-2f8lA:
undetectable		 2xkwA-2f8lA:
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.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		4 LEU A 572
ILE A 283
ALA A 184
ILE A  10
 None
 0.73A 2xkwA-2gjmA:
undetectable		 2xkwA-2gjmA:
20.42
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.
2h6r TRIOSEPHOSPHATE
ISOMERASE

(Methanocaldococcus
jannaschii) 		PF00121
(TIM) 		4 GLU A 138
GLN A  41
ALA A  22
ILE A  48
 None
 0.79A 2xkwA-2h6rA:
undetectable		 2xkwA-2h6rA:
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.
2jh9 VP4 CORE PROTEIN

(Bluetongue
virus) 		PF05059
(Orbi_VP4) 		4 GLU A 192
ILE A 248
ALA A 356
ILE A 319
 None
 0.79A 2xkwA-2jh9A:
undetectable		 2xkwA-2jh9A:
18.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU A 247
ILE A 272
GLN A 277
ILE A 317
 None
735  A 469 ( 4.2A)
735  A 469 (-4.4A)
735  A 469 ( 4.8A)
 0.49A 2xkwA-2p54A:
37.1		 2xkwA-2p54A:
61.94
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.
2qio ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		4 LEU A 233
ILE A 188
ALA A 215
ILE A 211
 None
 0.81A 2xkwA-2qioA:
undetectable		 2xkwA-2qioA:
22.74
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.
2v8n LACTOSE PERMEASE

(Escherichia
coli) 		PF01306
(LacY_symp) 		4 LEU A 216
ILE A 349
ALA A 291
ILE A 283
 None
 0.78A 2xkwA-2v8nA:
undetectable		 2xkwA-2v8nA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v95 CORTICOSTEROID-BINDI
NG GLOBULIN

(Rattus
norvegicus) 		PF00079
(Serpin) 		4 ILE A 152
GLN A 142
ALA A 136
ILE A 128
 None
 0.85A 2xkwA-2v95A:
undetectable		 2xkwA-2v95A:
22.98
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.
2was 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Saccharomyces
cerevisiae) 		PF01648
(ACPS) 		4 ILE B1796
GLN B1802
ALA B1878
ILE B1776
 None
 0.70A 2xkwA-2wasB:
undetectable		 2xkwA-2wasB:
19.69
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.
2wdu GLUTATHIONE
TRANSFERASE SIGMA
CLASS

(Fasciola
hepatica) 		PF14497
(GST_C_3) 		4 LEU A  78
ILE A  20
GLN A  35
ILE A  44
 None
 0.81A 2xkwA-2wduA:
undetectable		 2xkwA-2wduA:
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.
2y1h PUTATIVE
DEOXYRIBONUCLEASE
TATDN3

(Homo sapiens) 		PF01026
(TatD_DNase) 		4 LEU A 210
GLU A 252
ILE A 242
ALA A  34
 None
 0.72A 2xkwA-2y1hA:
undetectable		 2xkwA-2y1hA:
23.45
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.
2zts PUTATIVE
UNCHARACTERIZED
PROTEIN PH0186

(Pyrococcus
horikoshii) 		PF06745
(ATPase) 		4 LEU A 161
GLU A 195
ILE A 147
ILE A  96
 None
 0.82A 2xkwA-2ztsA:
undetectable		 2xkwA-2ztsA:
22.92
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.
2zws NEUTRAL CERAMIDASE

(Pseudomonas
aeruginosa) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		4 LEU A 486
GLU A 404
ALA A  44
ILE A 134
 None
 0.83A 2xkwA-2zwsA:
undetectable		 2xkwA-2zwsA:
17.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 255
GLU A 259
ILE A 281
GLN A 286
ARG A 288
ALA A 292
ILE A 326
 None
None
MC5  A   1 ( 4.8A)
None
None
None
MC5  A   1 ( 4.9A)
 0.24A 2xkwA-3b0qA:
42.6		 2xkwA-3b0qA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dm5 SIGNAL RECOGNITION
54 KDA PROTEIN

(Pyrococcus
furiosus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		4 ILE A 201
GLN A 206
ALA A 171
ILE A 211
 None
 0.84A 2xkwA-3dm5A:
undetectable		 2xkwA-3dm5A:
23.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 LEU D 255
ILE D 281
GLN D 286
ALA D 292
ILE D 326
 None
PLB  D 701 (-4.6A)
None
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.5A)
 0.68A 2xkwA-3dzuD:
37.5		 2xkwA-3dzuD:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5c FUSION OF GENERAL
CONTROL PROTEIN GCN4
AND WSPR RESPONSE
REGULATOR PROTEIN

(Pseudomonas
aeruginosa;
Saccharomyces
cerevisiae) 		PF00990
(GGDEF) 		4 LEU A 189
ILE A 316
GLN A 321
ALA A 326
 None
 0.77A 2xkwA-3i5cA:
undetectable		 2xkwA-3i5cA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ju8 SUCCINYLGLUTAMIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		4 LEU A 296
ILE A 267
GLN A 434
ILE A 428
 None
 0.68A 2xkwA-3ju8A:
undetectable		 2xkwA-3ju8A:
18.76
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.
3kn5 RIBOSOMAL PROTEIN S6
KINASE ALPHA-5

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 698
GLU A 518
ALA A 531
ILE A 563
 None
 0.76A 2xkwA-3kn5A:
undetectable		 2xkwA-3kn5A:
24.29
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		4 LEU A 944
ILE A 775
GLN A 780
ALA A 786
 None
 0.81A 2xkwA-3lj0A:
undetectable		 2xkwA-3lj0A:
21.80
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.
3mog PROBABLE
3-HYDROXYBUTYRYL-COA
DEHYDROGENASE

(Escherichia
coli) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 LEU A 372
ILE A 344
GLN A 326
ALA A 395
ILE A 441
 None
 1.47A 2xkwA-3mogA:
undetectable		 2xkwA-3mogA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n4t APH(2'')-ID

(Enterococcus
casseliflavus) 		PF01636
(APH) 		4 LEU A 233
ILE A 203
ALA A  36
ILE A  44
 None
 0.85A 2xkwA-3n4tA:
undetectable		 2xkwA-3n4tA:
22.91
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.
3nr1 HD DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF13328
(HD_4) 		4 LEU A 164
ILE A  42
ALA A  15
ILE A  33
 None
 0.81A 2xkwA-3nr1A:
undetectable		 2xkwA-3nr1A:
22.38
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.
3oig ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Bacillus
subtilis) 		PF13561
(adh_short_C2) 		4 LEU A 234
ILE A 189
ALA A 216
ILE A 212
 None
 0.85A 2xkwA-3oigA:
undetectable		 2xkwA-3oigA:
23.26
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.
3pg8 PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		4 ILE A 183
ARG A 208
ALA A 254
ILE A 258
 None
 0.85A 2xkwA-3pg8A:
undetectable		 2xkwA-3pg8A:
23.61
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.
3q4d POSSIBLE
CHLOROMUCONATE
CYCLOISOMERASE
MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY

(Cytophaga
hutchinsonii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A  23
ILE A  54
ALA A 250
ILE A 278
 None
 0.76A 2xkwA-3q4dA:
undetectable		 2xkwA-3q4dA:
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.
3qe3 SORBITOL
DEHYDROGENASE

(Ovis aries) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 LEU A 220
GLN A 256
ALA A 285
ILE A 292
 None
 0.85A 2xkwA-3qe3A:
undetectable		 2xkwA-3qe3A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s8d COENZYME A
TRANSFERASE

(Yersinia pestis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 LEU A 406
ILE A 418
ARG A 378
ALA A 371
 None
 0.82A 2xkwA-3s8dA:
undetectable		 2xkwA-3s8dA:
23.90
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.
3tqk PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Francisella
tularensis) 		PF00793
(DAHP_synth_1) 		4 LEU A 150
GLU A 148
ALA A  78
ILE A  75
 None
ACT  A1002 ( 4.6A)
None
None
 0.81A 2xkwA-3tqkA:
undetectable		 2xkwA-3tqkA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u5t 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 GLU A  50
ILE A  33
ALA A 225
ILE A 135
 None
 0.80A 2xkwA-3u5tA:
undetectable		 2xkwA-3u5tA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wdb PROBABLE
ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT

(Mycobacterium
tuberculosis) 		PF02861
(Clp_N) 		4 ILE A  67
GLN A  62
ARG A  60
ILE A  38
 None
 0.69A 2xkwA-3wdbA:
undetectable		 2xkwA-3wdbA:
19.71
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.
3woh SIAM

(Streptomyces
sp. A7248) 		PF13561
(adh_short_C2) 		4 GLU A  55
ILE A  38
ALA A 229
ILE A 142
 None
 0.78A 2xkwA-3wohA:
undetectable		 2xkwA-3wohA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis) 		PF00724
(Oxidored_FMN) 		4 GLU A  55
ILE A  95
ALA A 311
ILE A   8
 None
 0.73A 2xkwA-4a3uA:
undetectable		 2xkwA-4a3uA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ab4 XENOBIOTIC REDUCTASE
B

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		4 GLU A  55
ILE A  95
ALA A 304
ILE A   8
 None
 0.81A 2xkwA-4ab4A:
undetectable		 2xkwA-4ab4A:
22.78
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.
4au2 SERPIN PEPTIDASE
INHIBITOR, CLADE H
(HEAT SHOCK PROTEIN
47), MEMBER 1,
(COLLAGEN BINDING
PROTEIN 1)

(Canis lupus) 		PF00079
(Serpin) 		4 LEU A 306
ILE A 269
ARG A 405
ALA A  59
 None
 0.74A 2xkwA-4au2A:
undetectable		 2xkwA-4au2A:
24.60
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.
4buj ANTIVIRAL HELICASE
SKI2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT) 		4 LEU A 434
ILE A 376
ALA A 383
ILE A 381
 None
 0.86A 2xkwA-4bujA:
undetectable		 2xkwA-4bujA:
14.14
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.
4ev1 ANABENA TIC22

(Anabaena sp.) 		PF04278
(Tic22) 		4 LEU A  48
ILE A 118
GLN A 124
ARG A 131
 None
 0.74A 2xkwA-4ev1A:
undetectable		 2xkwA-4ev1A:
24.25
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.
4f3n UNCHARACTERIZED ACR,
COG1565 SUPERFAMILY

(Burkholderia
thailandensis) 		PF02636
(Methyltransf_28) 		4 LEU A  43
ILE A  54
ARG A 213
ALA A 204
 None
 0.83A 2xkwA-4f3nA:
undetectable		 2xkwA-4f3nA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h7a CRISPR-ASSOCIATED
PROTEIN CSE2

(Thermus
thermophilus) 		PF09485
(CRISPR_Cse2) 		4 GLU A  88
ILE A 126
ALA A 106
ILE A 111
 None
 0.84A 2xkwA-4h7aA:
undetectable		 2xkwA-4h7aA:
20.64
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.
4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA

(Homo sapiens) 		PF00454
(PI3_PI4_kinase) 		4 LEU A 282
GLU A 280
ILE A 340
ILE A 345
 LEU  A 282 ( 0.6A)
GLU  A 280 ( 0.6A)
ILE  A 340 ( 0.6A)
ILE  A 345 (-0.5A)
 0.85A 2xkwA-4hneA:
undetectable		 2xkwA-4hneA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4htt SEC-INDEPENDENT
PROTEIN TRANSLOCASE
PROTEIN TATC,
LYSOZYME

(Aquifex
aeolicus;
Escherichia
virus T4) 		PF00902
(TatC) 		4 LEU A  52
ILE A 150
ALA A 115
ILE A  74
 None
 0.69A 2xkwA-4httA:
undetectable		 2xkwA-4httA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ijm CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Synechococcus
elongatus) 		PF06745
(ATPase) 		4 LEU A 325
GLU A 336
ILE A 346
ILE A 408
 None
 0.79A 2xkwA-4ijmA:
undetectable		 2xkwA-4ijmA:
19.96
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.
4iyp IMMUNOGLOBULIN-BINDI
NG PROTEIN 1
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos)
PF04177
(TAP42) 		4 LEU A 113
ILE A 208
GLN A 213
ALA C 140
 None
 0.84A 2xkwA-4iypA:
undetectable		 2xkwA-4iypA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m0h CONSERVED
HYPOTHETICAL
PROTEIN, PUTATIVE
ANTI-SIGMA FACTOR

(Parabacteroides
distasonis) 		PF04773
(FecR)
PF16344
(DUF4974) 		4 LEU A 289
ILE A 272
ALA A 213
ILE A 239
 None
 0.85A 2xkwA-4m0hA:
undetectable		 2xkwA-4m0hA:
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.
4r2f EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudarthrobacter
chlorophenolicus) 		PF01547
(SBP_bac_1) 		4 LEU A 411
ILE A 227
ALA A 271
ILE A 267
 None
 0.81A 2xkwA-4r2fA:
undetectable		 2xkwA-4r2fA:
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.
4r6l BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB1

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 LEU A 426
ILE A 498
GLN A 330
ALA A 353
 None
 0.84A 2xkwA-4r6lA:
undetectable		 2xkwA-4r6lA:
20.98
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.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		4 LEU A 116
GLN A 223
ALA A 245
ILE A 239
 None
 0.69A 2xkwA-4ufcA:
undetectable		 2xkwA-4ufcA:
16.48
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.
4v33 POLYSACCHARIDE
DEACETYLASE-LIKE
PROTEIN

(Bacillus
anthracis) 		PF01522
(Polysacc_deac_1) 		4 GLU A 111
GLN A 118
ALA A 121
ILE A  49
 None
 0.84A 2xkwA-4v33A:
undetectable		 2xkwA-4v33A:
21.61
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.
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri) 		PF03480
(DctP) 		4 GLU A 240
GLN A  76
ALA A  85
ILE A  83
 BDP  A 401 (-2.9A)
MG  A 404 ( 4.4A)
None
None
 0.85A 2xkwA-4x04A:
undetectable		 2xkwA-4x04A:
22.51
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.
4y2w ALANINE RACEMASE 1

(Caldanaerobacter
subterraneus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LEU A  74
ILE A  39
ALA A 207
ILE A 212
 None
 0.75A 2xkwA-4y2wA:
undetectable		 2xkwA-4y2wA:
21.05
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.
4zg8 ENDOGLUCANASE

(Perinereis
brevicirris) 		PF00759
(Glyco_hydro_9) 		4 LEU A 105
ILE A  80
ALA A 259
ILE A 315
 None
 0.83A 2xkwA-4zg8A:
undetectable		 2xkwA-4zg8A:
19.71
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.
4zpx ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF13654
(AAA_32) 		4 LEU A 207
ILE A 244
ALA A  56
ILE A  53
 None
 0.82A 2xkwA-4zpxA:
undetectable		 2xkwA-4zpxA:
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.
5avo HOMOSERINE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		4 GLU A 264
ILE A 278
ALA A 239
ILE A 209
 None
 0.70A 2xkwA-5avoA:
undetectable		 2xkwA-5avoA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b5u L-ASPARAGINASE

(Pyrococcus
furiosus) 		PF00710
(Asparaginase) 		4 GLU A 116
ILE A  33
ALA A 127
ILE A  78
 None
 0.71A 2xkwA-5b5uA:
undetectable		 2xkwA-5b5uA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dfa BETA-GALACTOSIDASE

(Geobacillus
stearothermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 LEU A 663
GLU A 684
ILE A 405
ALA A 412
 None
 0.62A 2xkwA-5dfaA:
undetectable		 2xkwA-5dfaA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5doz JAMJ

(Lyngbya
majuscula) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 LEU A 124
GLU A 128
ILE A 132
ALA A 160
ILE A 157
 None
 1.44A 2xkwA-5dozA:
undetectable		 2xkwA-5dozA:
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.
5doz JAMJ

(Lyngbya
majuscula) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 LEU A 191
ILE A 327
ALA A 130
ILE A 127
 None
 0.85A 2xkwA-5dozA:
undetectable		 2xkwA-5dozA:
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.
5e9a BETA-GALACTOSIDASE

(Rahnella sp. R3) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 LEU A 441
ILE A 464
ALA A 563
ILE A 519
 None
 0.69A 2xkwA-5e9aA:
undetectable		 2xkwA-5e9aA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5emi CELL WALL
HYDROLASE/AUTOLYSIN

(Nostoc
punctiforme) 		PF01520
(Amidase_3) 		4 LEU A 460
GLN A 599
ALA A 605
ILE A 476
 None
 0.79A 2xkwA-5emiA:
undetectable		 2xkwA-5emiA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f0o COHESIN SUBUNIT
PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P

(Lachancea
thermotolerans) 		no annotation 4 LEU A 526
GLU A 695
GLN A 717
ILE A 749
 None
 0.84A 2xkwA-5f0oA:
undetectable		 2xkwA-5f0oA:
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.
5fn4 NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin) 		4 LEU A 637
GLU A 636
GLN A 355
ILE A 436
 None
 0.82A 2xkwA-5fn4A:
undetectable		 2xkwA-5fn4A:
17.77
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.
5l7l ELP3 FAMILY, ELP3
FAMILY

(Dehalococcoides
mccartyi) 		PF04055
(Radical_SAM)
PF16199
(Radical_SAM_C) 		4 LEU A 401
GLU A 405
ILE A 419
ARG A 364
 None
 0.85A 2xkwA-5l7lA:
undetectable		 2xkwA-5l7lA:
22.27
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.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 GLU A   3
ILE A 742
GLN A 744
ILE A 755
 None
 0.75A 2xkwA-5m2nA:
undetectable		 2xkwA-5m2nA:
17.18
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.
5me3 SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		4 LEU A 958
GLU A 994
ILE A 983
ALA A1020
 None
 0.85A 2xkwA-5me3A:
undetectable		 2xkwA-5me3A:
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.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 LEU A 738
ILE A 449
ALA A 350
ILE A 176
 None
 0.78A 2xkwA-5mfaA:
undetectable		 2xkwA-5mfaA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqc VP2

(Black queen
cell virus) 		PF00073
(Rhv) 		4 ILE B 211
GLN B  65
ALA B 112
ILE B  88
 None
 0.74A 2xkwA-5mqcB:
undetectable		 2xkwA-5mqcB:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ol2 ELECTRON TRANSFER
FLAVOPROTEIN SMALL
SUBUNIT

(Clostridioides
difficile) 		no annotation 4 LEU B 140
ILE B 118
ALA B  74
ILE B  39
 None
 0.80A 2xkwA-5ol2B:
undetectable		 2xkwA-5ol2B:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ayv FRUCTOSE-1,6-BISPHOS
PHATASE CLASS 2

(Mycobacterium
tuberculosis) 		no annotation 4 GLU A 252
ILE A 223
ALA A 264
ILE A  95
 None
 0.67A 2xkwA-6ayvA:
undetectable		 2xkwA-6ayvA:
14.23
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 LEU A 738
GLU A 429
ILE A 449
ILE A 176
 None
 0.78A 2xkwA-6azpA:
undetectable		 2xkwA-6azpA:
16.48
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 LEU A 738
ILE A 449
ALA A 350
ILE A 176
 None
 0.71A 2xkwA-6azpA:
undetectable		 2xkwA-6azpA:
16.48
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.
6ch3 FLAGELLAR SECRETION
CHAPERONE
FLIS,FLAGELLIN

(Salmonella
enterica) 		no annotation 4 LEU B  96
ILE B  65
ALA B 121
ILE B 174
 None
 0.81A 2xkwA-6ch3B:
undetectable		 2xkwA-6ch3B:
15.27
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.
6dbr -

(-) 		no annotation 4 LEU B 200
ILE B 234
ALA B 263
ILE B 273
 None
 0.75A 2xkwA-6dbrB:
undetectable		 2xkwA-6dbrB:
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.
6e29 -

(-) 		no annotation 4 ILE D 242
ARG D 239
ALA D 213
ILE D 217
 None
 0.80A 2xkwA-6e29D:
undetectable		 2xkwA-6e29D:
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 4 LEU A  47
ILE A  91
ALA A 496
ILE A 187
 None
 0.73A 2xkwA-6fhwA:
undetectable		 2xkwA-6fhwA:
14.23