SIMILAR PATTERNS OF AMINO ACIDS FOR 1UW6_A_NCTA1208

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 TYR A 141
THR A  38
TYR A 149
LEU A  58
 None
 1.39A 1uw6A-1by7A:
0.0
1uw6B-1by7A:
0.0		 1uw6A-1by7A:
19.13
1uw6B-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 TYR A  48
CYH A 298
TYR A 209
LEU A 300
 NAP  A 350 (-4.8A)
NAP  A 350 ( 4.1A)
NAP  A 350 (-3.5A)
None
 1.27A 1uw6A-1c9wA:
undetectable
1uw6B-1c9wA:
undetectable		 1uw6A-1c9wA:
20.13
1uw6B-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.
1g8x MYOSIN II HEAVY
CHAIN FUSED TO
ALPHA-ACTININ 3

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		4 TYR A 634
TYR A 261
LEU A 645
MET A 642
 None
 1.48A 1uw6A-1g8xA:
0.0
1uw6B-1g8xA:
0.0		 1uw6A-1g8xA:
11.67
1uw6B-1g8xA:
11.67
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.
1h4l CYCLIN-DEPENDENT
KINASE 5 ACTIVATOR

(Homo sapiens) 		PF03261
(CDK5_activator) 		4 THR D 228
CYH D 208
TRP D 177
LEU D 204
 None
 1.48A 1uw6A-1h4lD:
undetectable
1uw6B-1h4lD:
undetectable		 1uw6A-1h4lD:
24.02
1uw6B-1h4lD:
24.02
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.
1i4w MITOCHONDRIAL
REPLICATION PROTEIN
MTF1

(Saccharomyces
cerevisiae) 		PF00398
(RrnaAD) 		4 TYR A 108
TYR A 103
LEU A 170
MET A 168
 XE  A 344 (-4.6A)
None
None
None
 1.10A 1uw6A-1i4wA:
0.0
1uw6B-1i4wA:
0.0		 1uw6A-1i4wA:
20.90
1uw6B-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 TYR S 663
TYR S 270
LEU S 674
MET S 671
 None
 1.36A 1uw6A-1i84S:
0.0
1uw6B-1i84S:
undetectable		 1uw6A-1i84S:
10.31
1uw6B-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.
1id8 METHYLASPARTATE
MUTASE S CHAIN

(Clostridium
tetanomorphum) 		PF02310
(B12-binding) 		4 CYH A  59
TYR A 117
LEU A  57
MET A 130
 None
DBI  A 139 (-2.7A)
None
None
 1.23A 1uw6A-1id8A:
undetectable
1uw6B-1id8A:
undetectable		 1uw6A-1id8A:
21.53
1uw6B-1id8A:
21.53
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 TRP A 150
THR A 354
LEU A 361
MET A 147
 None
 1.09A 1uw6A-1l5jA:
undetectable
1uw6B-1l5jA:
0.0		 1uw6A-1l5jA:
12.98
1uw6B-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.
1lyw CATHEPSIN D

(Homo sapiens) 		PF00026
(Asp) 		4 TYR B 139
THR B 201
TRP B 206
LEU B 198
 None
 1.37A 1uw6A-1lywB:
undetectable
1uw6B-1lywB:
undetectable		 1uw6A-1lywB:
21.74
1uw6B-1lywB:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p0r UBIQUITIN-LIKE 5

(Homo sapiens) 		PF00240
(ubiquitin) 		4 TYR A  60
THR A  23
CYH A  18
LEU A  30
 None
 1.38A 1uw6A-1p0rA:
undetectable
1uw6B-1p0rA:
undetectable		 1uw6A-1p0rA:
13.74
1uw6B-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 TYR M 198
TRP L 151
THR L 152
LEU L  63
 None
 1.25A 1uw6A-1pssM:
undetectable
1uw6B-1pssM:
undetectable		 1uw6A-1pssM:
20.20
1uw6B-1pssM:
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 TYR A 580
THR A 577
CYH A 532
LEU A 241
 None
 1.18A 1uw6A-1qlbA:
undetectable
1uw6B-1qlbA:
undetectable		 1uw6A-1qlbA:
15.29
1uw6B-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 TYR A  58
THR A 383
TRP A 459
MET A 449
 None
 1.41A 1uw6A-1tz7A:
undetectable
1uw6B-1tz7A:
undetectable		 1uw6A-1tz7A:
16.60
1uw6B-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.
1unl CYCLIN-DEPENDENT
KINASE 5 ACTIVATOR 1

(Homo sapiens) 		PF03261
(CDK5_activator) 		4 THR D 228
CYH D 208
TRP D 177
LEU D 204
 None
 1.44A 1uw6A-1unlD:
undetectable
1uw6B-1unlD:
undetectable		 1uw6A-1unlD:
22.51
1uw6B-1unlD:
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.
1ven BETA-AMYLASE

(Bacillus cereus) 		PF00686
(CBM_20)
PF01373
(Glyco_hydro_14) 		4 TYR A 178
CYH A 331
TRP A 293
LEU A 349
 GLC  A 903 (-4.5A)
None
None
None
 1.39A 1uw6A-1venA:
undetectable
1uw6B-1venA:
undetectable		 1uw6A-1venA:
17.63
1uw6B-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 THR A 602
CYH A 616
TYR A 603
LEU A 593
 None
 1.28A 1uw6A-1w6jA:
undetectable
1uw6B-1w6jA:
undetectable		 1uw6A-1w6jA:
15.56
1uw6B-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 TYR A 142
THR A  27
TRP A 138
LEU A  33
 None
 1.46A 1uw6A-1whbA:
undetectable
1uw6B-1whbA:
undetectable		 1uw6A-1whbA:
18.92
1uw6B-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.
1x4s ZINC FINGER HIT
DOMAIN CONTAINING
PROTEIN 2

(Homo sapiens) 		PF04438
(zf-HIT) 		4 TYR A  53
THR A  47
CYH A  29
TYR A  42
 None
None
ZN  A 401 (-2.3A)
None
 1.39A 1uw6A-1x4sA:
undetectable
1uw6B-1x4sA:
undetectable		 1uw6A-1x4sA:
12.38
1uw6B-1x4sA:
12.38
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.
1z1n SIXTEEN HEME
CYTOCHROME

(Desulfovibrio
gigas) 		PF02085
(Cytochrom_CIII)
PF14522
(Cytochrome_C7) 		4 THR X 406
CYH X 463
TYR X 439
LEU X 460
 None
HEC  X 613 (-1.9A)
HEC  X 613 (-3.5A)
None
 1.35A 1uw6A-1z1nX:
undetectable
1uw6B-1z1nX:
undetectable		 1uw6A-1z1nX:
14.64
1uw6B-1z1nX:
14.64
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)
 0.45A 1uw6A-2bj0A:
24.8
1uw6B-2bj0A:
25.8		 1uw6A-2bj0A:
43.00
1uw6B-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 TYR A 241
THR A 221
TRP A 138
MET A 208
 None
 1.35A 1uw6A-2eaeA:
undetectable
1uw6B-2eaeA:
undetectable		 1uw6A-2eaeA:
12.66
1uw6B-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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 TYR A 241
TRP A 138
LEU A 228
MET A 208
 None
 1.42A 1uw6A-2eaeA:
undetectable
1uw6B-2eaeA:
undetectable		 1uw6A-2eaeA:
12.66
1uw6B-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 TYR A1865
THR A1876
CYH A1959
TRP A1868
 None
 1.26A 1uw6A-2h03A:
undetectable
1uw6B-2h03A:
undetectable		 1uw6A-2h03A:
20.60
1uw6B-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.
2inp PHENOL HYDROXYLASE
COMPONENT PHN

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 TRP A 336
THR A 337
CYH A 343
TRP A 351
 None
 1.34A 1uw6A-2inpA:
undetectable
1uw6B-2inpA:
undetectable		 1uw6A-2inpA:
18.38
1uw6B-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 TYR A 420
THR A 342
CYH A 382
LEU A 304
 None
BME  A1593 (-3.7A)
None
None
 1.13A 1uw6A-2j5cA:
undetectable
1uw6B-2j5cA:
undetectable		 1uw6A-2j5cA:
16.78
1uw6B-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 THR A  41
TYR A  59
LEU A  97
MET A  38
 None
 1.23A 1uw6A-2mfqA:
undetectable
1uw6B-2mfqA:
undetectable		 1uw6A-2mfqA:
17.07
1uw6B-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 TYR A 392
TYR A 476
LEU A 329
MET A 352
 None
 1.43A 1uw6A-2o1sA:
undetectable
1uw6B-2o1sA:
undetectable		 1uw6A-2o1sA:
15.94
1uw6B-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 TYR A  28
THR A 300
TYR A  57
LEU A 326
 None
 1.41A 1uw6A-2pceA:
undetectable
1uw6B-2pceA:
undetectable		 1uw6A-2pceA:
18.95
1uw6B-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 TYR A  81
THR A 676
TYR A 100
LEU A 673
 None
None
ADP  A1789 (-4.3A)
EDO  A1794 (-4.8A)
 0.99A 1uw6A-2v26A:
undetectable
1uw6B-2v26A:
undetectable		 1uw6A-2v26A:
12.33
1uw6B-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 CYH A  29
TYR A  51
LEU A  20
MET A 148
 None
 1.08A 1uw6A-2vvyA:
undetectable
1uw6B-2vvyA:
undetectable		 1uw6A-2vvyA:
20.66
1uw6B-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 TYR A  81
THR A  15
TRP A 190
LEU A 235
 None
 1.32A 1uw6A-2x7qA:
undetectable
1uw6B-2x7qA:
undetectable		 1uw6A-2x7qA:
22.74
1uw6B-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.
2z23 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		4 TYR A 420
TYR A 115
LEU A 100
MET A 164
 None
 1.41A 1uw6A-2z23A:
undetectable
1uw6B-2z23A:
undetectable		 1uw6A-2z23A:
16.96
1uw6B-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.
3b8a HEXOKINASE-1

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 THR X 344
CYH X 385
TYR X 424
LEU X 314
 None
 1.30A 1uw6A-3b8aX:
undetectable
1uw6B-3b8aX:
undetectable		 1uw6A-3b8aX:
19.30
1uw6B-3b8aX:
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.
3bil PROBABLE LACI-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF13407
(Peripla_BP_4) 		4 THR A 101
CYH A 127
LEU A 114
MET A 110
 None
 1.29A 1uw6A-3bilA:
undetectable
1uw6B-3bilA:
undetectable		 1uw6A-3bilA:
22.67
1uw6B-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 THR A  15
CYH A  99
LEU A 115
MET A 119
 None
 1.04A 1uw6A-3bl2A:
undetectable
1uw6B-3bl2A:
undetectable		 1uw6A-3bl2A:
18.60
1uw6B-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 TYR A  78
THR A  58
TYR A  59
LEU A 252
 None
5CA  A 418 (-3.6A)
None
5CA  A 418 (-3.9A)
 1.47A 1uw6A-3c8zA:
undetectable
1uw6B-3c8zA:
undetectable		 1uw6A-3c8zA:
19.18
1uw6B-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.
3c9h ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		4 TYR A 280
THR A  48
TYR A  65
LEU A  46
 None
 1.44A 1uw6A-3c9hA:
undetectable
1uw6B-3c9hA:
undetectable		 1uw6A-3c9hA:
19.89
1uw6B-3c9hA:
19.89
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.
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 126
THR A 136
LEU A  67
MET A  91
 None
 1.45A 1uw6A-3d46A:
undetectable
1uw6B-3d46A:
undetectable		 1uw6A-3d46A:
18.58
1uw6B-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.
3f4a UNCHARACTERIZED
PROTEIN YGR203W

(Saccharomyces
cerevisiae) 		PF00581
(Rhodanese) 		4 TRP A  20
THR A  27
TRP A 119
LEU A  29
 SO4  A 152 (-4.2A)
SO4  A 152 (-4.2A)
None
None
 1.38A 1uw6A-3f4aA:
undetectable
1uw6B-3f4aA:
undetectable		 1uw6A-3f4aA:
21.17
1uw6B-3f4aA:
21.17
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.
3f7p PLECTIN-1

(Homo sapiens) 		PF00307
(CH) 		4 TYR A 281
TRP A 194
LEU A 257
MET A 289
 None
 1.18A 1uw6A-3f7pA:
undetectable
1uw6B-3f7pA:
undetectable		 1uw6A-3f7pA:
22.80
1uw6B-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 TYR A 419
THR A 323
LEU A 377
MET A 374
 TYR  A 419 ( 1.3A)
THR  A 323 ( 0.8A)
LEU  A 377 ( 0.5A)
MET  A 374 ( 0.0A)
 1.20A 1uw6A-3gnrA:
undetectable
1uw6B-3gnrA:
undetectable		 1uw6A-3gnrA:
17.14
1uw6B-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.
3gt5 N-ACETYLGLUCOSAMINE
2-EPIMERASE

(Xylella
fastidiosa) 		PF07221
(GlcNAc_2-epim) 		4 TYR A  68
THR A 382
TYR A  29
MET A 387
 None
CL  A 500 (-4.7A)
None
None
 1.47A 1uw6A-3gt5A:
undetectable
1uw6B-3gt5A:
undetectable		 1uw6A-3gt5A:
17.82
1uw6B-3gt5A:
17.82
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.
3hdo HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Geobacter
metallireducens) 		PF00155
(Aminotran_1_2) 		4 TYR A  76
CYH A 251
LEU A 243
MET A  85
 None
 1.32A 1uw6A-3hdoA:
undetectable
1uw6B-3hdoA:
undetectable		 1uw6A-3hdoA:
19.38
1uw6B-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 TYR A  76
THR A 209
CYH A 251
MET A  85
 None
 1.04A 1uw6A-3hdoA:
undetectable
1uw6B-3hdoA:
undetectable		 1uw6A-3hdoA:
19.38
1uw6B-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 THR A 136
TYR A 123
LEU A 145
MET A 139
 None
 1.46A 1uw6A-3hduA:
undetectable
1uw6B-3hduA:
undetectable		 1uw6A-3hduA:
20.56
1uw6B-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.
3ibm CUPIN 2, CONSERVED
BARREL DOMAIN
PROTEIN

(Halorhodospira
halophila) 		PF07883
(Cupin_2) 		4 TYR A  17
TRP A  19
LEU A 124
MET A  79
 None
 1.28A 1uw6A-3ibmA:
undetectable
1uw6B-3ibmA:
undetectable		 1uw6A-3ibmA:
16.90
1uw6B-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 TYR A 213
TYR A 415
TRP A 276
LEU A 261
 None
 1.41A 1uw6A-3ihvA:
undetectable
1uw6B-3ihvA:
undetectable		 1uw6A-3ihvA:
19.53
1uw6B-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.
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 THR A 913
CYH A 802
LEU A 961
MET A 967
 None
 1.47A 1uw6A-3n23A:
undetectable
1uw6B-3n23A:
undetectable		 1uw6A-3n23A:
12.27
1uw6B-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 TYR A  79
THR A 314
LEU A 329
MET A 308
 None
 1.36A 1uw6A-3pf0A:
undetectable
1uw6B-3pf0A:
undetectable		 1uw6A-3pf0A:
19.62
1uw6B-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 TYR A 300
TRP A 234
LEU A 174
MET A 170
 None
None
None
FMT  A 388 (-4.3A)
 1.46A 1uw6A-3pmmA:
undetectable
1uw6B-3pmmA:
undetectable		 1uw6A-3pmmA:
20.56
1uw6B-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 THR A 437
CYH A 418
TRP A 405
LEU A 410
 None
 1.30A 1uw6A-3py7A:
undetectable
1uw6B-3py7A:
undetectable		 1uw6A-3py7A:
16.35
1uw6B-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 TYR A 471
THR A 456
TYR A 453
LEU A 461
 None
 1.44A 1uw6A-3q7zA:
undetectable
1uw6B-3q7zA:
undetectable		 1uw6A-3q7zA:
19.44
1uw6B-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 TYR A  10
TRP A 186
LEU A 172
MET A 189
 None
 1.10A 1uw6A-3r77A:
undetectable
1uw6B-3r77A:
undetectable		 1uw6A-3r77A:
23.71
1uw6B-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 TYR A 637
THR A 563
CYH A 603
MET A 568
 None
 1.27A 1uw6A-3sdqA:
undetectable
1uw6B-3sdqA:
undetectable		 1uw6A-3sdqA:
12.91
1uw6B-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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		4 TYR A 166
THR A 263
CYH A 133
LEU A 296
 PHE  A 400 (-3.8A)
EDO  A 403 ( 4.2A)
None
None
 1.40A 1uw6A-3td9A:
undetectable
1uw6B-3td9A:
undetectable		 1uw6A-3td9A:
19.62
1uw6B-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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 TYR A 477
TRP A 537
LEU A 543
MET A 540
 None
 1.41A 1uw6A-3txoA:
undetectable
1uw6B-3txoA:
undetectable		 1uw6A-3txoA:
18.93
1uw6B-3txoA:
18.93
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.
3voc BETA/ALPHA-AMYLASE

(Paenibacillus
polymyxa) 		PF01373
(Glyco_hydro_14) 		4 TYR A 169
CYH A 323
TRP A 285
LEU A 341
 None
 1.37A 1uw6A-3vocA:
undetectable
1uw6B-3vocA:
undetectable		 1uw6A-3vocA:
19.40
1uw6B-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.
3wv4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		4 TYR A  97
TRP A  55
LEU A 246
MET A  48
 None
 1.33A 1uw6A-3wv4A:
undetectable
1uw6B-3wv4A:
undetectable		 1uw6A-3wv4A:
20.80
1uw6B-3wv4A:
20.80
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.
3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		4 TYR A  97
TRP A  55
LEU A 246
MET A  48
 None
 1.38A 1uw6A-3wvnA:
undetectable
1uw6B-3wvnA:
undetectable		 1uw6A-3wvnA:
18.36
1uw6B-3wvnA:
18.36
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)
 0.25A 1uw6A-3zdhA:
32.2
1uw6B-3zdhA:
32.7		 1uw6A-3zdhA:
99.05
1uw6B-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 TYR A  81
THR A 676
TYR A 100
LEU A 673
 None
None
ADP  A2230 (-4.5A)
None
 1.00A 1uw6A-4anjA:
undetectable
1uw6B-4anjA:
undetectable		 1uw6A-4anjA:
12.04
1uw6B-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.
4cj0 ENDOGLUCANASE D

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 TYR A 499
TRP A 544
THR A 553
CYH A 459
 None
 1.46A 1uw6A-4cj0A:
undetectable
1uw6B-4cj0A:
undetectable		 1uw6A-4cj0A:
17.97
1uw6B-4cj0A:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f53 SUSD HOMOLOG

(Bacteroides
ovatus) 		PF12741
(SusD-like) 		4 TYR A 206
THR A 258
TYR A 262
LEU A 388
 None
None
None
CA  A 603 ( 4.7A)
 1.41A 1uw6A-4f53A:
undetectable
1uw6B-4f53A:
undetectable		 1uw6A-4f53A:
16.77
1uw6B-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.
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1)
PF14883
(GHL13) 		4 THR A 239
TRP A 186
LEU A 237
MET A 233
 None
 1.46A 1uw6A-4f9dA:
undetectable
1uw6B-4f9dA:
undetectable		 1uw6A-4f9dA:
17.16
1uw6B-4f9dA:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fbz DELTARHODOPSIN

(Haloterrigena
thermotolerans) 		PF01036
(Bac_rhodopsin) 		4 THR A  16
TRP A  11
LEU A 213
MET A 209
 None
 1.47A 1uw6A-4fbzA:
undetectable
1uw6B-4fbzA:
undetectable		 1uw6A-4fbzA:
18.82
1uw6B-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 TYR A 153
THR A 317
TYR A 123
LEU A 538
 None
 1.45A 1uw6A-4fnqA:
undetectable
1uw6B-4fnqA:
undetectable		 1uw6A-4fnqA:
14.64
1uw6B-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
 0.74A 1uw6A-4hqpA:
26.3
1uw6B-4hqpA:
26.7		 1uw6A-4hqpA:
60.66
1uw6B-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.
4j3c RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Sinorhizobium
meliloti) 		PF04452
(Methyltrans_RNA) 		4 TYR A  85
THR A 228
CYH A 169
LEU A 219
 None
 1.35A 1uw6A-4j3cA:
undetectable
1uw6B-4j3cA:
undetectable		 1uw6A-4j3cA:
19.35
1uw6B-4j3cA:
19.35
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.
4l35 CRUXRHODOPSIN-3

(Haloarcula
vallismortis) 		PF01036
(Bac_rhodopsin) 		4 THR A  15
TRP A  10
LEU A 217
MET A 213
 None
 1.40A 1uw6A-4l35A:
undetectable
1uw6B-4l35A:
undetectable		 1uw6A-4l35A:
21.34
1uw6B-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.
4m8n PLEXINC1
INTRACELLULAR REGION

(Danio rerio) 		PF08337
(Plexin_cytopl) 		4 TYR A1063
TYR A1056
TRP A 957
LEU A 744
 None
 1.46A 1uw6A-4m8nA:
undetectable
1uw6B-4m8nA:
undetectable		 1uw6A-4m8nA:
17.71
1uw6B-4m8nA:
17.71
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.
4q58 PLECTIN

(Homo sapiens) 		PF00307
(CH) 		4 TYR A 254
TRP A 167
LEU A 230
MET A 262
 None
 1.36A 1uw6A-4q58A:
undetectable
1uw6B-4q58A:
undetectable		 1uw6A-4q58A:
23.81
1uw6B-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 THR A  24
TRP A  19
LEU A 221
MET A 217
 None
 1.24A 1uw6A-4qidA:
undetectable
1uw6B-4qidA:
undetectable		 1uw6A-4qidA:
19.07
1uw6B-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 TYR A 467
TRP A 375
THR A 374
TRP A 445
 None
 1.26A 1uw6A-4r1dA:
undetectable
1uw6B-4r1dA:
undetectable		 1uw6A-4r1dA:
17.54
1uw6B-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.
4ru1 MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Acidothermus
cellulolyticus) 		PF13407
(Peripla_BP_4) 		4 THR A 203
CYH A 191
TYR A 202
LEU A 179
 None
 1.41A 1uw6A-4ru1A:
undetectable
1uw6B-4ru1A:
undetectable		 1uw6A-4ru1A:
20.13
1uw6B-4ru1A:
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		4 TYR A2409
TRP A2622
LEU A2380
MET A2416
 None
 1.46A 1uw6A-4tvcA:
undetectable
1uw6B-4tvcA:
undetectable		 1uw6A-4tvcA:
12.00
1uw6B-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 TYR A2743
THR A2196
TYR A2739
LEU A2658
 None
 1.35A 1uw6A-4tvcA:
undetectable
1uw6B-4tvcA:
undetectable		 1uw6A-4tvcA:
12.00
1uw6B-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 THR A 146
CYH A 220
LEU A 222
MET A 180
 None
 1.37A 1uw6A-4u3vA:
undetectable
1uw6B-4u3vA:
undetectable		 1uw6A-4u3vA:
20.20
1uw6B-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 THR A  45
CYH A  65
TYR A  81
LEU A 322
 EDO  A 505 (-2.8A)
None
None
None
 1.19A 1uw6A-4uacA:
undetectable
1uw6B-4uacA:
undetectable		 1uw6A-4uacA:
17.00
1uw6B-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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 TYR A  87
THR A 128
TRP A 148
LEU A 346
 None
HIS  A 501 (-3.7A)
None
None
 1.20A 1uw6A-4yrpA:
undetectable
1uw6B-4yrpA:
undetectable		 1uw6A-4yrpA:
19.47
1uw6B-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 TYR A 156
TRP A 194
LEU A 184
MET A 193
 None
 1.19A 1uw6A-5c5hA:
undetectable
1uw6B-5c5hA:
undetectable		 1uw6A-5c5hA:
18.20
1uw6B-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 TRP A1069
CYH A1053
LEU A1068
MET A1072
 None
 1.36A 1uw6A-5d67A:
undetectable
1uw6B-5d67A:
undetectable		 1uw6A-5d67A:
20.19
1uw6B-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.
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)
 0.36A 1uw6A-5fjvA:
22.7
1uw6B-5fjvA:
23.5		 1uw6A-5fjvA:
28.31
1uw6B-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 TYR A 191
CYH A 163
TRP A 199
LEU A 185
 SCY  A 165 ( 3.4A)
None
None
None
 1.38A 1uw6A-5g3pA:
undetectable
1uw6B-5g3pA:
undetectable		 1uw6A-5g3pA:
19.54
1uw6B-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 TYR A 196
THR A 209
TRP A 203
LEU A   4
 TYR  A 196 ( 1.3A)
THR  A 209 ( 0.8A)
TRP  A 203 ( 0.5A)
LEU  A   4 ( 0.6A)
 1.42A 1uw6A-5hfiA:
undetectable
1uw6B-5hfiA:
undetectable		 1uw6A-5hfiA:
18.70
1uw6B-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 TYR A 436
THR A 449
CYH A  64
LEU A 253
 FAD  A 601 (-4.1A)
None
FAD  A 601 (-3.3A)
None
 1.12A 1uw6A-5j7xA:
undetectable
1uw6B-5j7xA:
undetectable		 1uw6A-5j7xA:
16.67
1uw6B-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)
 0.48A 1uw6A-5kxiA:
23.0
1uw6B-5kxiA:
23.3		 1uw6A-5kxiA:
19.07
1uw6B-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.
5lox PEPTIDASE

(Pseudomonas
aeruginosa) 		no annotation 4 TYR A   2
CYH A 171
LEU A 159
MET A   6
 None
 1.41A 1uw6A-5loxA:
undetectable
1uw6B-5loxA:
undetectable		 1uw6A-5loxA:
20.99
1uw6B-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.
5mhj MAJOR VIRAL
TRANSCRIPTION FACTOR
ICP4

(Human
alphaherpesvirus
1) 		PF03584
(Herpes_ICP4_N) 		4 TYR A 434
TRP A 362
CYH A 407
LEU A 403
 None
 1.42A 1uw6A-5mhjA:
undetectable
1uw6B-5mhjA:
undetectable		 1uw6A-5mhjA:
20.43
1uw6B-5mhjA:
20.43
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.
5mhk RS1

(Human
alphaherpesvirus
1) 		PF03584
(Herpes_ICP4_N) 		4 TYR A 434
TRP A 362
CYH A 407
LEU A 403
 None
 1.44A 1uw6A-5mhkA:
undetectable
1uw6B-5mhkA:
undetectable		 1uw6A-5mhkA:
20.92
1uw6B-5mhkA:
20.92
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 4 TYR A1234
THR A 659
TYR A1230
LEU A1135
 None
 1.34A 1uw6A-5ngyA:
undetectable
1uw6B-5ngyA:
undetectable		 1uw6A-5ngyA:
11.02
1uw6B-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.
5nyw PROTEASOME SUBUNIT

(Yersinia
bercovieri) 		no annotation 4 TYR A   2
CYH A 174
LEU A 162
MET A   6
 None
 1.38A 1uw6A-5nywA:
undetectable
1uw6B-5nywA:
undetectable		 1uw6A-5nywA:
20.61
1uw6B-5nywA:
20.61
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.
5oen INTERFERON
REGULATORY FACTOR 9

(Mus musculus) 		no annotation 4 THR A 228
CYH A 235
LEU A 214
MET A 364
 None
 1.34A 1uw6A-5oenA:
undetectable
1uw6B-5oenA:
undetectable		 1uw6A-5oenA:
18.02
1uw6B-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 TRP A 688
THR A 660
TYR A 663
LEU A 451
 None
 1.47A 1uw6A-5okoA:
undetectable
1uw6B-5okoA:
undetectable		 1uw6A-5okoA:
23.04
1uw6B-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 TRP A 688
THR A 660
TYR A 671
LEU A 451
 None
 1.12A 1uw6A-5okoA:
undetectable
1uw6B-5okoA:
undetectable		 1uw6A-5okoA:
23.04
1uw6B-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 THR A 134
TYR A 163
LEU A 101
MET A 199
 None
 1.44A 1uw6A-5ucoA:
undetectable
1uw6B-5ucoA:
undetectable		 1uw6A-5ucoA:
17.61
1uw6B-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 TYR D 587
THR D 667
TRP D 723
MET D 672
 None
 1.34A 1uw6A-5uheD:
undetectable
1uw6B-5uheD:
undetectable		 1uw6A-5uheD:
9.04
1uw6B-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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 4 THR A1752
TYR A1754
TRP A1760
LEU A1712
 None
 1.46A 1uw6A-6emkA:
undetectable
1uw6B-6emkA:
undetectable		 1uw6A-6emkA:
16.04
1uw6B-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 TYR O  94
THR O 273
TYR O 101
LEU O 158
 None
 1.42A 1uw6A-6g2jO:
undetectable
1uw6B-6g2jO:
undetectable		 1uw6A-6g2jO:
12.21
1uw6B-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 TYR A 512
TRP A 505
CYH A 416
LEU A 421
 None
None
QPS  A 602 (-4.9A)
None
 1.43A 1uw6A-6gnfA:
undetectable
1uw6B-6gnfA:
undetectable		 1uw6A-6gnfA:
undetectable
1uw6B-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 TYR A 532
TRP A 525
CYH A 436
LEU A 441
 None
None
QPS  A 601 (-4.8A)
None
 1.44A 1uw6A-6gngA:
undetectable
1uw6B-6gngA:
undetectable		 1uw6A-6gngA:
undetectable
1uw6B-6gngA:
undetectable