SIMILAR PATTERNS OF AMINO ACIDS FOR 1UW6_T_NCTT1208

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.
1by7 PROTEIN (PLASMINOGEN
ACTIVATOR
INHIBITOR-2)

(Homo sapiens) 		PF00079
(Serpin) 		4 LEU A  58
TYR A 141
THR A  38
TYR A 149
 None
 1.39A 1uw6P-1by7A:
0.0
1uw6T-1by7A:
0.0		 1uw6P-1by7A:
19.13
1uw6T-1by7A:
19.13
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.
1c9w CHO REDUCTASE

(Cricetulus
griseus) 		PF00248
(Aldo_ket_red) 		4 LEU A 300
TYR A  48
CYH A 298
TYR A 209
 None
NAP  A 350 (-4.8A)
NAP  A 350 ( 4.1A)
NAP  A 350 (-3.5A)
 1.36A 1uw6P-1c9wA:
undetectable
1uw6T-1c9wA:
undetectable		 1uw6P-1c9wA:
20.13
1uw6T-1c9wA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i4w MITOCHONDRIAL
REPLICATION PROTEIN
MTF1

(Saccharomyces
cerevisiae) 		PF00398
(RrnaAD) 		4 LEU A 170
MET A 168
TYR A 108
TYR A 103
 None
None
XE  A 344 (-4.6A)
None
 1.10A 1uw6P-1i4wA:
0.0
1uw6T-1i4wA:
0.0		 1uw6P-1i4wA:
20.90
1uw6T-1i4wA:
20.90
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.
1i84 SMOOTH MUSCLE MYOSIN
HEAVY CHAIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		4 LEU S 674
MET S 671
TYR S 663
TYR S 270
 None
 1.38A 1uw6P-1i84S:
undetectable
1uw6T-1i84S:
0.0		 1uw6P-1i84S:
10.31
1uw6T-1i84S:
10.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 LEU A 361
MET A 147
TRP A 150
THR A 354
 None
 1.03A 1uw6P-1l5jA:
0.0
1uw6T-1l5jA:
undetectable		 1uw6P-1l5jA:
12.98
1uw6T-1l5jA:
12.98
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.
1p0r UBIQUITIN-LIKE 5

(Homo sapiens) 		PF00240
(ubiquitin) 		4 LEU A  30
TYR A  60
THR A  23
CYH A  18
 None
 1.41A 1uw6P-1p0rA:
undetectable
1uw6T-1p0rA:
undetectable		 1uw6P-1p0rA:
13.74
1uw6T-1p0rA:
13.74
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.
1pss PHOTOSYNTHETIC
REACTION CENTER

(Rhodobacter
sphaeroides) 		PF00124
(Photo_RC) 		4 LEU L  63
TYR M 198
TRP L 151
THR L 152
 None
 1.25A 1uw6P-1pssL:
undetectable
1uw6T-1pssL:
undetectable		 1uw6P-1pssL:
19.49
1uw6T-1pssL:
19.49
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 LEU A 241
TYR A 580
THR A 577
CYH A 532
 None
 1.24A 1uw6P-1qlbA:
undetectable
1uw6T-1qlbA:
undetectable		 1uw6P-1qlbA:
15.29
1uw6T-1qlbA:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tz7 4-ALPHA-GLUCANOTRANS
FERASE

(Aquifex
aeolicus) 		PF02446
(Glyco_hydro_77) 		4 TRP A 459
MET A 449
TYR A  58
THR A 383
 None
 1.42A 1uw6P-1tz7A:
undetectable
1uw6T-1tz7A:
0.0		 1uw6P-1tz7A:
16.60
1uw6T-1tz7A:
16.60
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.
1ven BETA-AMYLASE

(Bacillus cereus) 		PF00686
(CBM_20)
PF01373
(Glyco_hydro_14) 		4 TRP A 293
LEU A 349
TYR A 178
CYH A 331
 None
None
GLC  A 903 (-4.5A)
None
 1.31A 1uw6P-1venA:
undetectable
1uw6T-1venA:
undetectable		 1uw6P-1venA:
17.63
1uw6T-1venA:
17.63
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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 LEU A 593
THR A 602
CYH A 616
TYR A 603
 None
 1.35A 1uw6P-1w6jA:
undetectable
1uw6T-1w6jA:
undetectable		 1uw6P-1w6jA:
15.56
1uw6T-1w6jA:
15.56
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.
1whb KIAA0055

(Homo sapiens) 		PF00581
(Rhodanese) 		4 TRP A 138
LEU A  33
TYR A 142
THR A  27
 None
 1.48A 1uw6P-1whbA:
undetectable
1uw6T-1whbA:
undetectable		 1uw6P-1whbA:
18.92
1uw6T-1whbA:
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.
2am4 ALPHA-1,3-MANNOSYL-G
LYCOPROTEIN
2-BETA-N-ACETYLGLUCO
SAMINYLTRANSFERASE

(Oryctolagus
cuniculus) 		PF03071
(GNT-I) 		4 LEU A 237
TYR A 442
THR A 263
TYR A 418
 None
 1.44A 1uw6P-2am4A:
undetectable
1uw6T-2am4A:
undetectable		 1uw6P-2am4A:
19.76
1uw6T-2am4A:
19.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bj0 ACETYLCHOLINE-BINDIN
G PROTEIN

(Bulinus
truncatus) 		PF02931
(Neur_chan_LBD) 		4 TYR A  88
TRP A 142
THR A 143
TYR A 191
 None
CXS  A1204 (-3.6A)
CXS  A1204 ( 4.7A)
CXS  A1204 (-4.7A)
 0.44A 1uw6P-2bj0A:
25.1
1uw6T-2bj0A:
25.2		 1uw6P-2bj0A:
43.00
1uw6T-2bj0A:
43.00
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 TRP A 138
MET A 208
TYR A 241
THR A 221
 None
 1.34A 1uw6P-2eaeA:
undetectable
1uw6T-2eaeA:
undetectable		 1uw6P-2eaeA:
12.66
1uw6T-2eaeA:
12.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h03 PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, B,

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 TRP A1868
TYR A1865
THR A1876
CYH A1959
 None
 1.31A 1uw6P-2h03A:
undetectable
1uw6T-2h03A:
undetectable		 1uw6P-2h03A:
20.60
1uw6T-2h03A:
20.60
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.
2hiv THERMOSTABLE DNA
LIGASE

(Sulfolobus
solfataricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 LEU A  30
MET A 183
TYR A 201
THR A 178
 None
 1.39A 1uw6P-2hivA:
undetectable
1uw6T-2hivA:
undetectable		 1uw6P-2hivA:
17.33
1uw6T-2hivA:
17.33
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.
2inp PHENOL HYDROXYLASE
COMPONENT PHN

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 TRP A 351
TRP A 336
THR A 337
CYH A 343
 None
 1.38A 1uw6P-2inpA:
undetectable
1uw6T-2inpA:
undetectable		 1uw6P-2inpA:
18.38
1uw6T-2inpA:
18.38
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.
2j5c 1,8-CINEOLE SYNTHASE

(Salvia
fruticosa) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 LEU A 304
TYR A 420
THR A 342
CYH A 382
 None
None
BME  A1593 (-3.7A)
None
 1.13A 1uw6P-2j5cA:
undetectable
1uw6T-2j5cA:
undetectable		 1uw6P-2j5cA:
16.78
1uw6T-2j5cA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mfq FIBROBLAST GROWTH
FACTOR RECEPTOR
SUBSTRATE 2

(Homo sapiens) 		PF02174
(IRS) 		4 LEU A  97
MET A  38
THR A  41
TYR A  59
 None
 1.24A 1uw6P-2mfqA:
undetectable
1uw6T-2mfqA:
undetectable		 1uw6P-2mfqA:
17.07
1uw6T-2mfqA:
17.07
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.
2o1s 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Escherichia
coli) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		4 LEU A 329
MET A 352
TYR A 392
TYR A 476
 None
 1.43A 1uw6P-2o1sA:
undetectable
1uw6T-2o1sA:
undetectable		 1uw6P-2o1sA:
15.94
1uw6T-2o1sA:
15.94
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.
2pce PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 326
TYR A  28
THR A 300
TYR A  57
 None
 1.38A 1uw6P-2pceA:
undetectable
1uw6T-2pceA:
undetectable		 1uw6P-2pceA:
18.95
1uw6T-2pceA:
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.
2v26 MYOSIN VI

(Sus scrofa) 		PF00063
(Myosin_head) 		4 LEU A 673
TYR A  81
THR A 676
TYR A 100
 EDO  A1794 (-4.8A)
None
None
ADP  A1789 (-4.3A)
 1.00A 1uw6P-2v26A:
undetectable
1uw6T-2v26A:
undetectable		 1uw6P-2v26A:
12.33
1uw6T-2v26A:
12.33
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.
2vvy PROTEIN B15

(Vaccinia virus) 		PF06227
(Poxvirus) 		4 LEU A  20
MET A 148
CYH A  29
TYR A  51
 None
 1.16A 1uw6P-2vvyA:
undetectable
1uw6T-2vvyA:
undetectable		 1uw6P-2vvyA:
20.66
1uw6T-2vvyA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x7q POSSIBLE THIAMINE
BIOSYNTHESIS ENZYME

(Candida
albicans) 		PF09084
(NMT1) 		4 TRP A 190
LEU A 235
TYR A  81
THR A  15
 None
 1.32A 1uw6P-2x7qA:
undetectable
1uw6T-2x7qA:
undetectable		 1uw6P-2x7qA:
22.74
1uw6T-2x7qA:
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.
2yy7 L-THREONINE
DEHYDROGENASE

(Flavobacterium
frigidimaris) 		PF01370
(Epimerase) 		4 LEU A 300
TYR A 267
THR A 248
TYR A 187
 None
 1.48A 1uw6P-2yy7A:
undetectable
1uw6T-2yy7A:
undetectable		 1uw6P-2yy7A:
20.90
1uw6T-2yy7A:
20.90
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.
2z23 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		4 LEU A 100
MET A 164
TYR A 420
TYR A 115
 None
 1.38A 1uw6P-2z23A:
undetectable
1uw6T-2z23A:
undetectable		 1uw6P-2z23A:
16.96
1uw6T-2z23A:
16.96
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.
3bil PROBABLE LACI-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF13407
(Peripla_BP_4) 		4 LEU A 114
MET A 110
THR A 101
CYH A 127
 None
 1.26A 1uw6P-3bilA:
undetectable
1uw6T-3bilA:
undetectable		 1uw6P-3bilA:
22.67
1uw6T-3bilA:
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.
3bl2 V-BCL-2

(Murid
gammaherpesvirus
4) 		PF15286
(Bcl-2_3) 		4 LEU A 115
MET A 119
THR A  15
CYH A  99
 None
 1.06A 1uw6P-3bl2A:
undetectable
1uw6T-3bl2A:
undetectable		 1uw6P-3bl2A:
18.60
1uw6T-3bl2A:
18.60
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.
3c8z CYSTEINYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF01406
(tRNA-synt_1e) 		4 LEU A 252
TYR A  78
THR A  58
TYR A  59
 5CA  A 418 (-3.9A)
None
5CA  A 418 (-3.6A)
None
 1.44A 1uw6P-3c8zA:
undetectable
1uw6T-3c8zA:
undetectable		 1uw6P-3c8zA:
19.18
1uw6T-3c8zA:
19.18
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.
3cb5 FACT COMPLEX SUBUNIT
SPT16

(Schizosaccharomyces
pombe) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		4 MET A 222
TRP A 249
THR A 252
CYH A 281
 None
 1.32A 1uw6P-3cb5A:
undetectable
1uw6T-3cb5A:
undetectable		 1uw6P-3cb5A:
19.27
1uw6T-3cb5A:
19.27
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.
3cih PUTATIVE
ALPHA-RHAMNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 LEU A 564
MET A 580
THR A 575
CYH A 568
 None
 1.45A 1uw6P-3cihA:
undetectable
1uw6T-3cihA:
undetectable		 1uw6P-3cihA:
15.32
1uw6T-3cihA:
15.32
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.
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A  67
MET A  91
TYR A 126
THR A 136
 None
 1.43A 1uw6P-3d46A:
undetectable
1uw6T-3d46A:
undetectable		 1uw6P-3d46A:
18.58
1uw6T-3d46A:
18.58
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.
3efv PUTATIVE
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Salmonella
enterica) 		PF00171
(Aldedh) 		4 TRP A 141
LEU A  64
THR A  91
CYH A  97
 None
 1.39A 1uw6P-3efvA:
undetectable
1uw6T-3efvA:
undetectable		 1uw6P-3efvA:
17.49
1uw6T-3efvA:
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.
3f7p PLECTIN-1

(Homo sapiens) 		PF00307
(CH) 		4 TRP A 194
LEU A 257
MET A 289
TYR A 281
 None
 1.16A 1uw6P-3f7pA:
undetectable
1uw6T-3f7pA:
undetectable		 1uw6P-3f7pA:
22.80
1uw6T-3f7pA:
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.
3gnr OS03G0212800 PROTEIN

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		4 LEU A 377
MET A 374
TYR A 419
THR A 323
 LEU  A 377 ( 0.5A)
MET  A 374 ( 0.0A)
TYR  A 419 ( 1.3A)
THR  A 323 ( 0.8A)
 1.22A 1uw6P-3gnrA:
undetectable
1uw6T-3gnrA:
undetectable		 1uw6P-3gnrA:
17.14
1uw6T-3gnrA:
17.14
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.
3hdo HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Geobacter
metallireducens) 		PF00155
(Aminotran_1_2) 		4 LEU A 243
MET A  85
TYR A  76
CYH A 251
 None
 1.30A 1uw6P-3hdoA:
undetectable
1uw6T-3hdoA:
undetectable		 1uw6P-3hdoA:
19.38
1uw6T-3hdoA:
19.38
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.
3hdo HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Geobacter
metallireducens) 		PF00155
(Aminotran_1_2) 		4 MET A  85
TYR A  76
THR A 209
CYH A 251
 None
 1.06A 1uw6P-3hdoA:
undetectable
1uw6T-3hdoA:
undetectable		 1uw6P-3hdoA:
19.38
1uw6T-3hdoA:
19.38
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.
3hdu PUTATIVE
THIOESTERASE

(Syntrophus
aciditrophicus) 		PF03061
(4HBT) 		4 LEU A 145
MET A 139
THR A 136
TYR A 123
 None
 1.45A 1uw6P-3hduA:
undetectable
1uw6T-3hduA:
undetectable		 1uw6P-3hduA:
20.56
1uw6T-3hduA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hri HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 TRP A 147
LEU A 345
TYR A  86
THR A 127
 None
 1.23A 1uw6P-3hriA:
undetectable
1uw6T-3hriA:
undetectable		 1uw6P-3hriA:
18.20
1uw6T-3hriA:
18.20
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.
3ibm CUPIN 2, CONSERVED
BARREL DOMAIN
PROTEIN

(Halorhodospira
halophila) 		PF07883
(Cupin_2) 		4 TRP A  19
LEU A 124
MET A  79
TYR A  17
 None
 1.26A 1uw6P-3ibmA:
undetectable
1uw6T-3ibmA:
undetectable		 1uw6P-3ibmA:
16.90
1uw6T-3ibmA:
16.90
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.
3ihv SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 TRP A 276
LEU A 261
TYR A 213
TYR A 415
 None
 1.44A 1uw6P-3ihvA:
undetectable
1uw6T-3ihvA:
undetectable		 1uw6P-3ihvA:
19.53
1uw6T-3ihvA:
19.53
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.
3k2k PUTATIVE
CARBOXYPEPTIDASE

(Burkholderia
mallei) 		PF00246
(Peptidase_M14) 		4 LEU A   3
TYR A  78
CYH A  53
TYR A 108
 None
 1.46A 1uw6P-3k2kA:
undetectable
1uw6T-3k2kA:
undetectable		 1uw6P-3k2kA:
19.30
1uw6T-3k2kA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		4 LEU A 961
MET A 967
THR A 913
CYH A 802
 None
 1.46A 1uw6P-3n23A:
undetectable
1uw6T-3n23A:
undetectable		 1uw6P-3n23A:
12.27
1uw6T-3n23A:
12.27
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.
3pf0 IMELYSIN-LIKE
PROTEIN

(Psychrobacter
arcticus) 		PF09375
(Peptidase_M75) 		4 LEU A 329
MET A 308
TYR A  79
THR A 314
 None
 1.37A 1uw6P-3pf0A:
undetectable
1uw6T-3pf0A:
undetectable		 1uw6P-3pf0A:
19.62
1uw6T-3pf0A:
19.62
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.
3pmm PUTATIVE CYTOPLASMIC
PROTEIN

(Klebsiella
pneumoniae) 		PF07470
(Glyco_hydro_88) 		4 TRP A 234
LEU A 174
MET A 170
TYR A 300
 None
None
FMT  A 388 (-4.3A)
None
 1.47A 1uw6P-3pmmA:
undetectable
1uw6T-3pmmA:
undetectable		 1uw6P-3pmmA:
20.56
1uw6T-3pmmA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3py7 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PAXILLIN
LD1,PROTEIN E6
CHIMERA

(Deltapapillomavirus
4;
Escherichia
coli;
Homo sapiens) 		PF00518
(E6)
PF01547
(SBP_bac_1) 		4 TRP A 405
LEU A 410
THR A 437
CYH A 418
 None
 1.36A 1uw6P-3py7A:
undetectable
1uw6T-3py7A:
undetectable		 1uw6P-3py7A:
16.35
1uw6T-3py7A:
16.35
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.
3q7z BETA-LACTAMASE
REGULATORY PROTEIN
BLAR1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		4 LEU A 461
TYR A 471
THR A 456
TYR A 453
 None
 1.46A 1uw6P-3q7zA:
undetectable
1uw6T-3q7zA:
undetectable		 1uw6P-3q7zA:
19.44
1uw6T-3q7zA:
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.
3r77 PROBABLE
ISOCHORISMATASE

(Pseudomonas
fluorescens) 		PF00857
(Isochorismatase) 		4 TRP A 186
LEU A 172
MET A 189
TYR A  10
 None
 1.09A 1uw6P-3r77A:
undetectable
1uw6T-3r77A:
undetectable		 1uw6P-3r77A:
23.71
1uw6T-3r77A:
23.71
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.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 MET A 568
TYR A 637
THR A 563
CYH A 603
 None
 1.28A 1uw6P-3sdqA:
undetectable
1uw6T-3sdqA:
undetectable		 1uw6P-3sdqA:
12.91
1uw6T-3sdqA:
12.91
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.
3slg PBGP3 PROTEIN

(Burkholderia
pseudomallei) 		PF01370
(Epimerase) 		4 LEU A 174
TYR A 141
THR A 120
TYR A 124
 None
 1.35A 1uw6P-3slgA:
undetectable
1uw6T-3slgA:
undetectable		 1uw6P-3slgA:
20.33
1uw6T-3slgA:
20.33
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.
3sr3 MICROCIN IMMUNITY
PROTEIN MCCF

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		4 TRP A 218
LEU A 119
MET A 223
THR A 213
 None
 1.46A 1uw6P-3sr3A:
undetectable
1uw6T-3sr3A:
undetectable		 1uw6P-3sr3A:
20.83
1uw6T-3sr3A:
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		4 LEU A 296
TYR A 166
THR A 263
CYH A 133
 None
PHE  A 400 (-3.8A)
EDO  A 403 ( 4.2A)
None
 1.42A 1uw6P-3td9A:
undetectable
1uw6T-3td9A:
undetectable		 1uw6P-3td9A:
19.62
1uw6T-3td9A:
19.62
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.
3voc BETA/ALPHA-AMYLASE

(Paenibacillus
polymyxa) 		PF01373
(Glyco_hydro_14) 		4 TRP A 285
LEU A 341
TYR A 169
CYH A 323
 None
 1.31A 1uw6P-3vocA:
undetectable
1uw6T-3vocA:
undetectable		 1uw6P-3vocA:
19.40
1uw6T-3vocA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1) 		4 TRP A 186
LEU A 237
MET A 233
THR A 239
 None
 1.40A 1uw6P-3vusA:
undetectable
1uw6T-3vusA:
undetectable		 1uw6P-3vusA:
22.74
1uw6T-3vusA:
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.
3wv4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		4 TRP A  55
LEU A 246
MET A  48
TYR A  97
 None
 1.35A 1uw6P-3wv4A:
undetectable
1uw6T-3wv4A:
undetectable		 1uw6P-3wv4A:
20.80
1uw6T-3wv4A:
20.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdh ACETYLCHOLINE
BINDING PROTEIN

(Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		4 TYR A  89
TRP A 143
THR A 144
TYR A 192
 None
XRS  A 301 (-3.6A)
XRS  A 301 ( 4.4A)
XRS  A 301 (-3.8A)
 0.30A 1uw6P-3zdhA:
32.2
1uw6T-3zdhA:
32.4		 1uw6P-3zdhA:
99.05
1uw6T-3zdhA:
99.05
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.
4anj UNCONVENTIONAL
MYOSIN-VI, GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Sus scrofa) 		PF00063
(Myosin_head)
PF01353
(GFP) 		4 LEU A 673
TYR A  81
THR A 676
TYR A 100
 None
None
None
ADP  A2230 (-4.5A)
 1.02A 1uw6P-4anjA:
undetectable
1uw6T-4anjA:
undetectable		 1uw6P-4anjA:
12.04
1uw6T-4anjA:
12.04
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.
4b6z FAMILY M14
UNASSIGNED PEPTIDASE

(Burkholderia
cenocepacia) 		PF00246
(Peptidase_M14) 		4 LEU A   3
TYR A  78
CYH A  53
TYR A 108
 None
 1.48A 1uw6P-4b6zA:
undetectable
1uw6T-4b6zA:
undetectable		 1uw6P-4b6zA:
20.82
1uw6T-4b6zA:
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.
4ci2 PROTEIN CEREBLON

(Gallus gallus) 		PF02190
(LON_substr_bdg)
PF03226
(Yippee-Mis18) 		4 LEU B 342
TYR B  60
THR B  56
TYR B 351
 None
 1.42A 1uw6P-4ci2B:
undetectable
1uw6T-4ci2B:
undetectable		 1uw6P-4ci2B:
18.94
1uw6T-4ci2B:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dol AT1G53520

(Arabidopsis
thaliana) 		PF02431
(Chalcone) 		4 LEU A 165
TYR A  60
TRP A 158
CYH A  32
 None
 1.45A 1uw6P-4dolA:
undetectable
1uw6T-4dolA:
undetectable		 1uw6P-4dolA:
21.15
1uw6T-4dolA:
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.
4f53 SUSD HOMOLOG

(Bacteroides
ovatus) 		PF12741
(SusD-like) 		4 LEU A 388
TYR A 206
THR A 258
TYR A 262
 CA  A 603 ( 4.7A)
None
None
None
 1.41A 1uw6P-4f53A:
undetectable
1uw6T-4f53A:
undetectable		 1uw6P-4f53A:
16.77
1uw6T-4f53A:
16.77
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.
4fbz DELTARHODOPSIN

(Haloterrigena
thermotolerans) 		PF01036
(Bac_rhodopsin) 		4 TRP A  11
LEU A 213
MET A 209
THR A  16
 None
 1.46A 1uw6P-4fbzA:
undetectable
1uw6T-4fbzA:
undetectable		 1uw6P-4fbzA:
18.82
1uw6T-4fbzA:
18.82
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.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 LEU A 538
TYR A 153
THR A 317
TYR A 123
 None
 1.46A 1uw6P-4fnqA:
undetectable
1uw6T-4fnqA:
undetectable		 1uw6P-4fnqA:
14.64
1uw6T-4fnqA:
14.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hqp ALPHA7 NICOTINIC
RECEPTOR CHIMERA

(Homo sapiens;
Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		4 TYR A  91
TRP A 145
THR A 146
TYR A 191
 None
 0.70A 1uw6P-4hqpA:
26.5
1uw6T-4hqpA:
26.2		 1uw6P-4hqpA:
60.66
1uw6T-4hqpA:
60.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4icq AMINOPEPTIDASE PEPS

(Streptococcus
pneumoniae) 		PF02073
(Peptidase_M29) 		4 LEU A 226
THR A 223
CYH A 320
TYR A 215
 None
 1.38A 1uw6P-4icqA:
undetectable
1uw6T-4icqA:
undetectable		 1uw6P-4icqA:
18.25
1uw6T-4icqA:
18.25
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.
4l35 CRUXRHODOPSIN-3

(Haloarcula
vallismortis) 		PF01036
(Bac_rhodopsin) 		4 TRP A  10
LEU A 217
MET A 213
THR A  15
 None
 1.40A 1uw6P-4l35A:
undetectable
1uw6T-4l35A:
undetectable		 1uw6P-4l35A:
21.34
1uw6T-4l35A:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mqj HEMOGLOBIN SUBUNIT
GAMMA-2

(Homo sapiens) 		PF00042
(Globin) 		4 LEU B  78
MET B 133
TRP B 130
THR B  10
 None
 1.31A 1uw6P-4mqjB:
undetectable
1uw6T-4mqjB:
undetectable		 1uw6P-4mqjB:
20.63
1uw6T-4mqjB:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pwn SERINE/THREONINE-PRO
TEIN KINASE WNK1

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 313
MET A 319
THR A 417
CYH A 352
 None
 1.33A 1uw6P-4pwnA:
undetectable
1uw6T-4pwnA:
undetectable		 1uw6P-4pwnA:
21.58
1uw6T-4pwnA:
21.58
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.
4q58 PLECTIN

(Homo sapiens) 		PF00307
(CH) 		4 TRP A 167
LEU A 230
MET A 262
TYR A 254
 None
 1.34A 1uw6P-4q58A:
undetectable
1uw6T-4q58A:
undetectable		 1uw6P-4q58A:
23.81
1uw6T-4q58A:
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.
4qid BACTERIORHODOPSIN-I

(Haloquadratum
walsbyi) 		PF01036
(Bac_rhodopsin) 		4 TRP A  19
LEU A 221
MET A 217
THR A  24
 None
 1.24A 1uw6P-4qidA:
undetectable
1uw6T-4qidA:
undetectable		 1uw6P-4qidA:
19.07
1uw6T-4qidA:
19.07
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 TRP A 445
TYR A 467
TRP A 375
THR A 374
 None
 1.23A 1uw6P-4r1dA:
undetectable
1uw6T-4r1dA:
undetectable		 1uw6P-4r1dA:
17.54
1uw6T-4r1dA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		4 LEU A2658
TYR A2743
THR A2196
TYR A2739
 None
 1.33A 1uw6P-4tvcA:
undetectable
1uw6T-4tvcA:
undetectable		 1uw6P-4tvcA:
12.00
1uw6T-4tvcA:
12.00
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		4 TRP A2622
LEU A2380
MET A2416
TYR A2409
 None
 1.47A 1uw6P-4tvcA:
undetectable
1uw6T-4tvcA:
undetectable		 1uw6P-4tvcA:
12.00
1uw6T-4tvcA:
12.00
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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 LEU A 163
MET A 180
THR A 215
CYH A 220
 None
 1.27A 1uw6P-4u3vA:
undetectable
1uw6T-4u3vA:
undetectable		 1uw6P-4u3vA:
20.20
1uw6T-4u3vA:
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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 LEU A 222
MET A 180
THR A 146
CYH A 220
 None
 1.38A 1uw6P-4u3vA:
undetectable
1uw6T-4u3vA:
undetectable		 1uw6P-4u3vA:
20.20
1uw6T-4u3vA:
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.
4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)

([Eubacterium]
rectale) 		PF13416
(SBP_bac_8) 		4 LEU A 322
THR A  45
CYH A  65
TYR A  81
 None
EDO  A 505 (-2.8A)
None
None
 1.31A 1uw6P-4uacA:
undetectable
1uw6T-4uacA:
undetectable		 1uw6P-4uacA:
17.00
1uw6T-4uacA:
17.00
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.
4uuy VACUOLAR MEMBRANE
PROTEIN PEP3

(Saccharomyces
cerevisiae) 		PF05131
(Pep3_Vps18) 		4 TRP A 171
LEU A 239
TYR A 141
THR A 163
 None
 1.44A 1uw6P-4uuyA:
undetectable
1uw6T-4uuyA:
undetectable		 1uw6P-4uuyA:
19.25
1uw6T-4uuyA:
19.25
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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 TRP A 148
LEU A 346
TYR A  87
THR A 128
 None
None
None
HIS  A 501 (-3.7A)
 1.18A 1uw6P-4yrpA:
undetectable
1uw6T-4yrpA:
undetectable		 1uw6P-4yrpA:
19.47
1uw6T-4yrpA:
19.47
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.
5c5h 2-SUCCINYLBENZOATE--
COA LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A 184
MET A 193
TYR A 156
TRP A 194
 None
 1.20A 1uw6P-5c5hA:
undetectable
1uw6T-5c5hA:
undetectable		 1uw6P-5c5hA:
18.20
1uw6T-5c5hA:
18.20
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.
5d67 EF-HAND
CALCIUM-BINDING
DOMAIN-CONTAINING
PROTEIN 6

(Homo sapiens) 		PF08976
(EF-hand_11) 		4 LEU A1068
MET A1072
TRP A1069
CYH A1053
 None
 1.29A 1uw6P-5d67A:
undetectable
1uw6T-5d67A:
undetectable		 1uw6P-5d67A:
20.19
1uw6T-5d67A:
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.
5ey5 LBCA-B
LBCATS-A

(synthetic
construct) 		PF00290
(Trp_syntA)
PF00291
(PALP) 		4 TRP B 174
LEU A  58
MET B 171
THR B  16
 None
 1.13A 1uw6P-5ey5B:
undetectable
1uw6T-5ey5B:
undetectable		 1uw6P-5ey5B:
20.51
1uw6T-5ey5B:
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.
5fjv NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-2

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		4 TYR A 122
TRP A 178
THR A 179
TYR A 226
 EPJ  A 300 (-4.6A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.3A)
EPJ  A 300 (-3.7A)
 0.39A 1uw6P-5fjvA:
23.1
1uw6T-5fjvA:
22.9		 1uw6P-5fjvA:
28.31
1uw6T-5fjvA:
28.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g3p FORMAMIDASE

(Bacillus cereus) 		PF00795
(CN_hydrolase) 		4 TRP A 199
LEU A 185
TYR A 191
CYH A 163
 None
None
SCY  A 165 ( 3.4A)
None
 1.45A 1uw6P-5g3pA:
undetectable
1uw6T-5g3pA:
undetectable		 1uw6P-5g3pA:
19.54
1uw6T-5g3pA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hfi UNCHARACTERIZED
PROTEIN, CYTOSOLIC
DISULFIDE REDUCTASE
DSBM

(Pseudomonas
aeruginosa) 		PF01323
(DSBA) 		4 TRP A 203
LEU A   4
TYR A 196
THR A 209
 TRP  A 203 ( 0.5A)
LEU  A   4 ( 0.6A)
TYR  A 196 ( 1.3A)
THR  A 209 ( 0.8A)
 1.44A 1uw6P-5hfiA:
undetectable
1uw6T-5hfiA:
undetectable		 1uw6P-5hfiA:
18.70
1uw6T-5hfiA:
18.70
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.
5j7x DIMETHYLANILINE
MONOOXYGENASE,
PUTATIVE

(Aspergillus
flavus) 		PF00743
(FMO-like) 		4 LEU A 253
TYR A 436
THR A 449
CYH A  64
 None
FAD  A 601 (-4.1A)
None
FAD  A 601 (-3.3A)
 1.16A 1uw6P-5j7xA:
undetectable
1uw6T-5j7xA:
undetectable		 1uw6P-5j7xA:
16.67
1uw6T-5j7xA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 TYR A 100
TRP A 156
THR A 157
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 (-3.8A)
 0.56A 1uw6P-5kxiA:
23.2
1uw6T-5kxiA:
22.9		 1uw6P-5kxiA:
19.07
1uw6T-5kxiA:
19.07
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.
5kz5 CYSTEINE
DESULFURASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00266
(Aminotran_5) 		4 LEU 1 199
THR 1 174
CYH 1 163
TYR 1 175
 None
 1.33A 1uw6P-5kz51:
undetectable
1uw6T-5kz51:
undetectable		 1uw6P-5kz51:
20.37
1uw6T-5kz51:
20.37
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.
5lox PEPTIDASE

(Pseudomonas
aeruginosa) 		no annotation 4 LEU A 159
MET A   6
TYR A   2
CYH A 171
 None
 1.42A 1uw6P-5loxA:
undetectable
1uw6T-5loxA:
undetectable		 1uw6P-5loxA:
20.99
1uw6T-5loxA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 4 LEU A1135
TYR A1234
THR A 659
TYR A1230
 None
 1.32A 1uw6P-5ngyA:
undetectable
1uw6T-5ngyA:
undetectable		 1uw6P-5ngyA:
11.02
1uw6T-5ngyA:
11.02
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.
5oen INTERFERON
REGULATORY FACTOR 9

(Mus musculus) 		no annotation 4 LEU A 214
MET A 364
THR A 228
CYH A 235
 None
 1.33A 1uw6P-5oenA:
undetectable
1uw6T-5oenA:
undetectable		 1uw6P-5oenA:
18.02
1uw6T-5oenA:
18.02
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 LEU A 451
TRP A 688
THR A 660
TYR A 663
 None
 1.44A 1uw6P-5okoA:
undetectable
1uw6T-5okoA:
undetectable		 1uw6P-5okoA:
23.04
1uw6T-5okoA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 LEU A 451
TRP A 688
THR A 660
TYR A 671
 None
 1.10A 1uw6P-5okoA:
undetectable
1uw6T-5okoA:
undetectable		 1uw6P-5okoA:
23.04
1uw6T-5okoA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uco 2,4,6-TRIHYDROXYBENZ
OPHENONE SYNTHASE

(Hypericum
androsaemum) 		no annotation 4 LEU A 101
MET A 199
THR A 134
TYR A 163
 None
 1.41A 1uw6P-5ucoA:
undetectable
1uw6T-5ucoA:
undetectable		 1uw6P-5ucoA:
17.61
1uw6T-5ucoA:
17.61
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.
5uhe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Mycobacterium
tuberculosis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 TRP D 723
MET D 672
TYR D 587
THR D 667
 None
 1.32A 1uw6P-5uheD:
undetectable
1uw6T-5uheD:
undetectable		 1uw6P-5uheD:
9.04
1uw6T-5uheD:
9.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5voc ENVELOPE
GLYCOPROTEIN H
ENVELOPE
GLYCOPROTEIN L

(Human
betaherpesvirus
5) 		PF01801
(Cytomega_gL)
PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		4 LEU A  96
MET A  92
TYR A  61
CYH B 233
 None
 1.42A 1uw6P-5vocA:
undetectable
1uw6T-5vocA:
undetectable		 1uw6P-5vocA:
14.07
1uw6T-5vocA:
14.07
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 4 TRP A1760
LEU A1712
THR A1752
TYR A1754
 None
 1.43A 1uw6P-6emkA:
undetectable
1uw6T-6emkA:
undetectable		 1uw6P-6emkA:
16.04
1uw6T-6emkA:
16.04
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 4 LEU O 158
TYR O  94
THR O 273
TYR O 101
 None
 1.43A 1uw6P-6g2jO:
undetectable
1uw6T-6g2jO:
undetectable		 1uw6P-6g2jO:
12.21
1uw6T-6g2jO:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gnf -

(-) 		no annotation 4 LEU A 421
TYR A 512
TRP A 505
CYH A 416
 None
None
None
QPS  A 602 (-4.9A)
 1.41A 1uw6P-6gnfA:
undetectable
1uw6T-6gnfA:
undetectable		 1uw6P-6gnfA:
undetectable
1uw6T-6gnfA:
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.
6gng -

(-) 		no annotation 4 LEU A 441
TYR A 532
TRP A 525
CYH A 436
 None
None
None
QPS  A 601 (-4.8A)
 1.44A 1uw6P-6gngA:
undetectable
1uw6T-6gngA:
undetectable		 1uw6P-6gngA:
undetectable
1uw6T-6gngA:
undetectable