SIMILAR PATTERNS OF AMINO ACIDS FOR 2WEY_A_EV1A1771_1

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.
1b1y PROTEIN
(BETA-AMYLASE)

(Hordeum vulgare) 		PF01373
(Glyco_hydro_14) 		5 LEU A 365
LEU A 411
VAL A  10
ILE A 392
GLU A 343
 None
 1.22A 2weyA-1b1yA:
undetectable		 2weyA-1b1yA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bjw ASPARTATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		5 LEU A 307
LEU A 362
VAL A 348
ILE A 330
PHE A 378
 None
 1.13A 2weyA-1bjwA:
undetectable		 2weyA-1bjwA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ow5 SERINE/THREONINE-PRO
TEIN KINASE STE11

(Saccharomyces
cerevisiae) 		PF07647
(SAM_2) 		5 LEU A  75
LEU A  60
VAL A  65
ILE A  32
GLU A  31
 None
 1.14A 2weyA-1ow5A:
undetectable		 2weyA-1ow5A:
13.71
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.
1pff METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 TYR A 111
GLU A 154
PHE A 187
MET A 311
GLN A 347
 EDO  A1020 (-3.6A)
None
None
None
None
 1.29A 2weyA-1pffA:
undetectable		 2weyA-1pffA:
20.16
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.
1qhl PROTEIN (CELL
DIVISION PROTEIN
MUKB)

(Escherichia
coli) 		PF04310
(MukB) 		5 LEU A 221
LEU A  90
ILE A  52
TYR A 198
PHE A  47
 None
 1.24A 2weyA-1qhlA:
undetectable		 2weyA-1qhlA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 736
HIS A 737
LEU A 895
ILE A 955
GLU A 958
PHE A 959
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
IBM  A2111 (-4.2A)
None
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.59A 2weyA-1sojA:
36.5		 2weyA-1sojA:
24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u0n PLATELET
GLYCOPROTEIN IB

(Homo sapiens) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 TYR D 215
LEU D 197
LEU D 168
ILE D 187
PHE D 216
 None
 1.25A 2weyA-1u0nD:
undetectable		 2weyA-1u0nD:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v71 HYPOTHETICAL PROTEIN
C320.14 IN
CHROMOSOME III

(Schizosaccharomyces
pombe) 		PF00291
(PALP) 		5 LEU A 178
LEU A 168
VAL A  29
ILE A 307
TYR A 272
 None
 1.14A 2weyA-1v71A:
undetectable		 2weyA-1v71A:
20.54
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.
1wdi HYPOTHETICAL PROTEIN
TT0907

(Thermus
thermophilus) 		PF02547
(Queuosine_synth) 		5 LEU A  58
LEU A  48
VAL A  45
GLU A 199
PHE A 189
 None
 1.29A 2weyA-1wdiA:
undetectable		 2weyA-1wdiA:
18.16
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 HIS B  94
LEU A 414
VAL A 404
PHE B 320
PHE A 207
 None
 1.21A 2weyA-1wytB:
undetectable		 2weyA-1wytB:
20.70
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.
1x5c PROTEIN
DISULFIDE-ISOMERASE

(Homo sapiens) 		PF00085
(Thioredoxin) 		5 LEU A  43
LEU A  83
ILE A  62
TYR A  54
PHE A 106
 None
 1.10A 2weyA-1x5cA:
undetectable		 2weyA-1x5cA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x77 CONSERVED
HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF03358
(FMN_red) 		5 LEU A 134
VAL A 139
ILE A  70
PHE A  66
PHE A  78
 None
 1.24A 2weyA-1x77A:
undetectable		 2weyA-1x77A:
18.29
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 LEU A 675
LEU A 964
VAL A 931
TYR A 958
PHE A 913
 None
 1.22A 2weyA-1xc6A:
undetectable		 2weyA-1xc6A:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 211
HIS A 212
GLU A 383
PHE A 384
GLN A 413
PHE A 416
 IBM  A 503 (-4.6A)
None
None
IBM  A 503 (-4.5A)
IBM  A 503 (-3.0A)
IBM  A 503 (-3.4A)
 0.74A 2weyA-1zklA:
36.9		 2weyA-1zklA:
28.80
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.
1zu4 FTSY

(Mycoplasma
mycoides) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 LEU A 135
LEU A 169
ILE A 396
TYR A 395
PHE A 109
 None
 1.21A 2weyA-1zu4A:
undetectable		 2weyA-1zu4A:
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.
2gl5 PUTATIVE DEHYDRATASE
PROTEIN

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 194
LEU A 172
ILE A 239
TYR A 242
GLU A 240
 None
 1.24A 2weyA-2gl5A:
undetectable		 2weyA-2gl5A:
21.82
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 VAL X 441
ILE X 485
PHE X 123
MET X 120
GLN X 428
 None
 1.21A 2weyA-2iv2X:
undetectable		 2weyA-2iv2X:
17.38
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.
2lml PUTATIVE ACYL
CARRIER PROTEIN

(Geobacter
metallireducens) 		PF00550
(PP-binding) 		5 LEU A  68
LEU A  42
VAL A  14
ILE A  31
PHE A  11
 PNS  A  88 (-4.7A)
None
None
None
None
 1.18A 2weyA-2lmlA:
undetectable		 2weyA-2lmlA:
14.04
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.
2o5v DNA REPLICATION AND
REPAIR PROTEIN RECF

(Deinococcus
radiodurans) 		PF02463
(SMC_N) 		5 LEU A 218
LEU A 135
ILE A 186
TYR A 153
GLU A 185
 None
 1.14A 2weyA-2o5vA:
undetectable		 2weyA-2o5vA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		9 TYR A 371
HIS A 372
LEU A 531
ILE A 548
GLU A 551
PHE A 552
MET A 569
GLN A 581
PHE A 584
 NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
NPV  A   3 (-3.8A)
None
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
 1.00A 2weyA-2qykA:
38.0		 2weyA-2qykA:
29.18
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.
2qym PHOSPHODIESTERASE 4C

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 281
HIS A 282
LEU A 441
ILE A 458
GLU A 461
PHE A 494
 None
 1.07A 2weyA-2qymA:
30.6		 2weyA-2qymA:
28.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qym PHOSPHODIESTERASE 4C

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 281
HIS A 282
LEU A 441
ILE A 458
GLU A 461
PHE A 494
 None
 1.41A 2weyA-2qymA:
30.6		 2weyA-2qymA:
28.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 TYR A 318
LEU A 306
VAL A 215
ILE A 325
PHE A 266
 None
 1.00A 2weyA-2qzwA:
undetectable		 2weyA-2qzwA:
20.97
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.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		6 TYR A 680
HIS A 681
GLU A 856
PHE A 857
GLN A 887
PHE A 890
 IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
None
IBM  A   3 (-4.9A)
IBM  A   3 (-3.3A)
IBM  A   3 (-3.6A)
 0.70A 2weyA-2r8qA:
38.9		 2weyA-2r8qA:
28.83
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.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		7 TYR A 680
HIS A 681
VAL A 839
GLU A 856
PHE A 857
MET A 874
PHE A 890
 IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
None
None
IBM  A   3 (-4.9A)
IBM  A   3 ( 3.8A)
IBM  A   3 (-3.6A)
 0.69A 2weyA-2r8qA:
38.9		 2weyA-2r8qA:
28.83
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.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22)
PF01163
(RIO1) 		5 LEU A 259
LEU A 126
VAL A 135
ILE A 197
PHE A 199
 None
 1.29A 2weyA-2vwbA:
undetectable		 2weyA-2vwbA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x5t ORF 131

(Sulfolobus
islandicus
rod-shaped
virus 1) 		no annotation 5 LEU A  87
LEU A  51
VAL A  36
ILE A   7
PHE A  79
 None
None
None
None
MLI  A1096 (-4.7A)
 1.18A 2weyA-2x5tA:
undetectable		 2weyA-2x5tA:
15.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zam VACUOLAR PROTEIN
SORTING-ASSOCIATING
PROTEIN 4B

(Mus musculus) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 LEU A 183
LEU A 146
VAL A 150
ILE A 230
PHE A 196
 None
 1.22A 2weyA-2zamA:
undetectable		 2weyA-2zamA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ab4 ASPARTOKINASE

(Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		5 LEU A 286
LEU A 326
VAL A 338
ILE A 272
GLU A 278
 None
None
None
THR  A 501 ( 4.7A)
None
 1.19A 2weyA-3ab4A:
undetectable		 2weyA-3ab4A:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ayr ENDOGLUCANASE

(Piromyces
rhizinflatus) 		PF00150
(Cellulase) 		5 LEU A 325
LEU A 342
ILE A 309
GLU A 278
PHE A  62
 None
 1.23A 2weyA-3ayrA:
undetectable		 2weyA-3ayrA:
22.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 612
HIS A 613
LEU A 725
LEU A 765
GLU A 785
PHE A 786
GLN A 817
PHE A 820
 VDN  A   1 (-4.8A)
VDN  A   1 (-4.3A)
None
VDN  A   1 ( 4.7A)
None
None
VDN  A   1 (-3.0A)
VDN  A   1 (-3.6A)
 0.81A 2weyA-3b2rA:
36.5		 2weyA-3b2rA:
38.81
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.
3bjc CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 612
HIS A 613
LEU A 725
LEU A 765
GLU A 785
PHE A 786
GLN A 817
PHE A 820
 None
MG  A 877 (-4.4A)
None
WAN  A 901 ( 4.7A)
None
WAN  A 901 (-4.8A)
WAN  A 901 (-3.1A)
WAN  A 901 (-3.7A)
 0.82A 2weyA-3bjcA:
39.0		 2weyA-3bjcA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3csk PROBABLE
DIPEPTIDYL-PEPTIDASE
3

(Saccharomyces
cerevisiae) 		PF03571
(Peptidase_M49) 		5 LEU A 201
VAL A 253
ILE A 214
GLU A 329
PHE A 255
 None
 1.18A 2weyA-3cskA:
undetectable		 2weyA-3cskA:
18.14
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.
3ecn HIGH AFFINITY
CAMP-SPECIFIC AND
IBMX-INSENSITIVE
3',5'-CYCLIC
PHOSPHODIESTERASE 8A

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 555
HIS A 556
ILE A 744
GLU A 747
GLN A 778
PHE A 781
 None
None
IBM  A   3 (-4.3A)
None
IBM  A   3 (-3.4A)
IBM  A   3 (-3.5A)
 0.92A 2weyA-3ecnA:
36.5		 2weyA-3ecnA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 325
HIS A 326
LEU A 485
GLU A 505
PHE A 506
PHE A 201
 None
D71  A 901 (-4.5A)
None
None
D71  A 901 (-4.8A)
D71  A 901 (-4.9A)
 1.35A 2weyA-3g4gA:
37.7		 2weyA-3g4gA:
25.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 325
HIS A 326
LEU A 485
ILE A 502
GLU A 505
PHE A 506
GLN A 535
PHE A 538
 None
D71  A 901 (-4.5A)
None
D71  A 901 (-4.1A)
None
D71  A 901 (-4.8A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 0.92A 2weyA-3g4gA:
37.7		 2weyA-3g4gA:
25.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 325
HIS A 326
LEU A 485
ILE A 502
GLU A 505
PHE A 538
 None
D71  A 901 (-4.5A)
None
D71  A 901 (-4.1A)
None
D71  A 901 (-3.9A)
 1.49A 2weyA-3g4gA:
37.7		 2weyA-3g4gA:
25.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7j BACILYSIN
BIOSYNTHESIS PROTEIN
BACB

(Bacillus
subtilis) 		PF07883
(Cupin_2) 		5 LEU A 131
VAL A 137
ILE A 152
TYR A 177
MET A 179
 None
None
None
None
PPY  A 246 ( 4.3A)
 1.20A 2weyA-3h7jA:
undetectable		 2weyA-3h7jA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		8 HIS A 656
LEU A 770
LEU A 809
ILE A 826
TYR A 827
GLU A 829
GLN A 859
PHE A 862
 None
 0.77A 2weyA-3ibjA:
36.6		 2weyA-3ibjA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		8 TYR A 655
HIS A 656
LEU A 809
ILE A 826
TYR A 827
GLU A 829
GLN A 859
PHE A 862
 None
 0.72A 2weyA-3ibjA:
36.6		 2weyA-3ibjA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ld1 REPLICASE
POLYPROTEIN 1A

(Avian
coronavirus) 		no annotation 5 LEU A 173
LEU A 225
VAL A 220
GLU A 248
PHE A 264
 None
 1.18A 2weyA-3ld1A:
undetectable		 2weyA-3ld1A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nur AMIDOHYDROLASE

(Staphylococcus
aureus) 		PF04909
(Amidohydro_2) 		5 LEU A 351
VAL A 130
ILE A 151
PHE A 147
PHE A 132
 None
 1.27A 2weyA-3nurA:
undetectable		 2weyA-3nurA:
21.27
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 233
HIS A 234
LEU A 393
ILE A 410
GLU A 413
PHE A 414
GLN A 443
PHE A 446
 None
None
None
ZG2  A 506 (-4.4A)
None
ZG2  A 506 (-4.4A)
ZG2  A 506 (-3.3A)
ZG2  A 506 (-3.6A)
 0.87A 2weyA-3o57A:
38.0		 2weyA-3o57A:
27.20
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.
3rjo ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF11838
(ERAP1_C) 		5 LEU A 591
LEU A 589
ILE A 535
TYR A 612
PHE A 569
 None
 1.16A 2weyA-3rjoA:
undetectable		 2weyA-3rjoA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 159
HIS A 160
LEU A 319
ILE A 336
GLU A 339
MET A 357
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
LEU  A 319 ( 0.6A)
ILE  A 336 ( 0.4A)
GLU  A 339 ( 0.5A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 1.01A 2weyA-3sl5A:
37.9		 2weyA-3sl5A:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 159
HIS A 160
LEU A 319
ILE A 336
GLU A 339
PHE A 340
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
LEU  A 319 ( 0.6A)
ILE  A 336 ( 0.4A)
GLU  A 339 ( 0.5A)
PHE  A 340 (-1.3A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.83A 2weyA-3sl5A:
37.9		 2weyA-3sl5A:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sll PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		5 LEU A 120
LEU A  18
VAL A   4
MET A 101
PHE A  35
 None
 1.18A 2weyA-3sllA:
undetectable		 2weyA-3sllA:
22.70
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.
3uem PROTEIN
DISULFIDE-ISOMERASE

(Homo sapiens) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		5 LEU A 403
LEU A 443
ILE A 422
TYR A 414
PHE A 466
 None
 1.10A 2weyA-3uemA:
undetectable		 2weyA-3uemA:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ui7 CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A

(Homo sapiens) 		PF00233
(PDEase_I) 		12 TYR A 524
HIS A 525
LEU A 635
LEU A 675
VAL A 678
ILE A 692
TYR A 693
GLU A 695
PHE A 696
MET A 713
GLN A 726
PHE A 729
 C1L  A   1 ( 4.8A)
C1L  A   1 (-4.1A)
None
C1L  A   1 (-4.3A)
C1L  A   1 (-4.9A)
C1L  A   1 (-4.3A)
None
None
C1L  A   1 ( 4.7A)
C1L  A   1 (-3.7A)
C1L  A   1 (-2.9A)
C1L  A   1 (-3.5A)
 0.54A 2weyA-3ui7A:
50.9		 2weyA-3ui7A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		7 TYR A 367
HIS A 368
ILE A 538
GLU A 541
PHE A 542
GLN A 570
PHE A 573
 WYQ  A 701 (-4.5A)
None
WYQ  A 701 ( 4.1A)
None
WYQ  A 701 (-4.7A)
WYQ  A 701 (-3.3A)
WYQ  A 701 (-3.4A)
 0.89A 2weyA-3v94A:
37.8		 2weyA-3v94A:
25.00
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.
3v98 ARACHIDONATE
5-LIPOXYGENASE

(Homo sapiens) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 LEU A 443
LEU A 448
VAL A 541
GLU A 376
PHE A 525
 None
 1.02A 2weyA-3v98A:
undetectable		 2weyA-3v98A:
17.43
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.
3wfp POLY A POLYMERASE

(Aquifex
aeolicus;
synthetic
construct) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		5 LEU A 227
LEU A 243
ILE A 256
GLU A 255
PHE A 324
 None
 1.04A 2weyA-3wfpA:
7.9		 2weyA-3wfpA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 TYR A 147
LEU A 160
ILE A 146
TYR A 131
GLN A 306
 SAM  A1349 (-4.7A)
SAM  A1349 (-4.1A)
None
None
ASE  A1350 (-3.4A)
 1.23A 2weyA-4a6eA:
undetectable		 2weyA-4a6eA:
22.62
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.
4bpt PHENYLALANINE-4-HYDR
OXYLASE (PAH)
(PHE-4-MONOOXYGENASE
)

(Legionella
pneumophila) 		PF00351
(Biopterin_H) 		5 TYR A  20
HIS A  10
LEU A  64
ILE A  61
GLU A  24
 None
 1.28A 2weyA-4bptA:
undetectable		 2weyA-4bptA:
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.
4dw1 P2X PURINOCEPTOR

(Danio rerio) 		PF00864
(P2X_receptor) 		5 TYR A  92
LEU A 235
VAL A 190
ILE A  93
PHE A 322
 None
 1.28A 2weyA-4dw1A:
undetectable		 2weyA-4dw1A:
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.
4eel BETA-PHOSPHOGLUCOMUT
ASE-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF13419
(HAD_2) 		5 LEU A  32
LEU A  60
GLU A  77
PHE A  80
PHE A  48
 None
 1.19A 2weyA-4eelA:
undetectable		 2weyA-4eelA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4el1 PROTEIN
DISULFIDE-ISOMERASE

(Homo sapiens) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		5 LEU A 403
LEU A 443
ILE A 422
TYR A 414
PHE A 466
 None
 1.14A 2weyA-4el1A:
undetectable		 2weyA-4el1A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h7n ALDEHYDE
DEHYDROGENASE

(Trichormus
variabilis) 		PF00171
(Aldedh) 		5 LEU A 148
LEU A 179
VAL A 176
ILE A  60
PHE A  88
 None
 1.28A 2weyA-4h7nA:
undetectable		 2weyA-4h7nA:
20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		11 TYR A 655
HIS A 656
LEU A 770
LEU A 809
ILE A 826
TYR A 827
GLU A 829
PHE A 830
MET A 847
GLN A 859
PHE A 862
 None
 0.65A 2weyA-4htzA:
41.2		 2weyA-4htzA:
35.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i15 CLASS 1
PHOSPHODIESTERASE
PDEB1

(Trypanosoma
brucei) 		PF00233
(PDEase_I) 		6 TYR A 668
HIS A 669
GLU A 843
PHE A 844
GLN A 874
PHE A 877
 None
 0.72A 2weyA-4i15A:
38.2		 2weyA-4i15A:
30.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i15 CLASS 1
PHOSPHODIESTERASE
PDEB1

(Trypanosoma
brucei) 		PF00233
(PDEase_I) 		7 TYR A 668
HIS A 669
VAL A 826
GLU A 843
PHE A 844
MET A 861
PHE A 877
 None
 0.67A 2weyA-4i15A:
38.2		 2weyA-4i15A:
30.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jej GERANYLGERANYLGLYCER
YL PHOSPHATE
SYNTHASE

(Flavobacterium
johnsoniae) 		PF01884
(PcrB) 		5 LEU A  38
LEU A  72
VAL A  80
ILE A  26
PHE A 234
 None
 1.27A 2weyA-4jejA:
undetectable		 2weyA-4jejA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m9r CELL DEATH PROTEIN 3

(Caenorhabditis
elegans) 		PF00656
(Peptidase_C14) 		6 LEU A 458
LEU A 416
ILE A 309
TYR A 278
PHE A 273
MET A 276
 None
 1.02A 2weyA-4m9rA:
undetectable		 2weyA-4m9rA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		5 LEU A 137
LEU A 186
ILE A 162
GLN A 166
PHE A 170
 None
 1.17A 2weyA-4ojxA:
undetectable		 2weyA-4ojxA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4plj CAPSID PROTEIN

(Orthohepevirus
A) 		PF03014
(SP2) 		5 LEU A 471
LEU A 465
VAL A 519
ILE A 571
PHE A 462
 None
 1.20A 2weyA-4pljA:
undetectable		 2weyA-4pljA:
17.30
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.
4qb9 ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycolicibacterium
smegmatis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 LEU A 356
LEU A 316
VAL A 314
ILE A 333
PHE A 386
 None
 0.89A 2weyA-4qb9A:
undetectable		 2weyA-4qb9A:
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.
4ric FANCONI-ASSOCIATED
NUCLEASE 1

(Homo sapiens) 		PF08774
(VRR_NUC) 		5 LEU A 935
LEU A 973
ILE A 831
PHE A 922
PHE A 838
 None
 0.96A 2weyA-4ricA:
2.9		 2weyA-4ricA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u2n ZINC FINGER AND BTB
DOMAIN-CONTAINING
PROTEIN 17,NUCLEUS
ACCUMBENS-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF00651
(BTB) 		5 HIS A   6
LEU A 174
ILE A 235
GLU A 237
PHE A 204
 None
 1.20A 2weyA-4u2nA:
undetectable		 2weyA-4u2nA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wrp UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 5 LEU A 295
VAL A 329
ILE A 288
TYR A 285
GLU A 284
 None
 1.30A 2weyA-4wrpA:
undetectable		 2weyA-4wrpA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 405
HIS A 406
LEU A 565
ILE A 582
GLU A 585
PHE A 586
GLN A 615
PHE A 618
 None
MG  A 804 ( 4.9A)
None
None
None
None
None
None
 0.83A 2weyA-4wziA:
37.7		 2weyA-4wziA:
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.
4x4w CCA TRNA
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL

(Homo sapiens) 		PF01743
(PolyA_pol)
PF12627
(PolyA_pol_RNAbd) 		5 LEU A 235
VAL A 237
ILE A 165
PHE A 157
PHE A 176
 None
 1.17A 2weyA-4x4wA:
4.0		 2weyA-4x4wA:
20.97
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.
4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2

(Legionella
pneumophila) 		PF00905
(Transpeptidase) 		5 LEU A 597
LEU A 582
VAL A 572
ILE A 402
PHE A 480
 None
 1.26A 2weyA-4ztkA:
undetectable		 2weyA-4ztkA:
23.51
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.
4zua EXOENZYME S
SYNTHESIS REGULATORY
PROTEIN EXSA

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A 118
LEU A  56
VAL A  32
ILE A 142
PHE A 149
 None
 1.15A 2weyA-4zuaA:
undetectable		 2weyA-4zuaA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b25 CALCIUM/CALMODULIN-D
EPENDENT
3',5'-CYCLIC
NUCLEOTIDE
PHOSPHODIESTERASE 1B

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 222
HIS A 223
GLU A 391
PHE A 392
GLN A 421
PHE A 424
 None
4QJ  A 603 ( 4.9A)
None
GOL  A 607 (-3.9A)
4QJ  A 603 (-3.0A)
4QJ  A 603 (-3.5A)
 0.84A 2weyA-5b25A:
37.0		 2weyA-5b25A:
25.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ddb MENIN

(Homo sapiens) 		PF05053
(Menin) 		5 LEU A  41
LEU A 263
ILE A  16
GLU A 255
PHE A  78
 None
 1.06A 2weyA-5ddbA:
undetectable		 2weyA-5ddbA:
23.00
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.
5dnl IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Pyrococcus
furiosus) 		PF00475
(IGPD) 		5 LEU A 126
LEU A 159
ILE A  14
GLU A  68
PHE A  34
 None
 1.18A 2weyA-5dnlA:
undetectable		 2weyA-5dnlA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gqr LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE TDR

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 LEU B 572
VAL B 565
ILE B 532
TYR B 508
GLU B 555
 None
 1.28A 2weyA-5gqrB:
undetectable		 2weyA-5gqrB:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h2r PHOSPHODIESTERASE

(Trypanosoma
brucei) 		no annotation 6 TYR A 668
HIS A 669
GLU A 844
PHE A 845
GLN A 875
PHE A 878
 LLN  A1003 ( 4.8A)
None
None
LLN  A1003 (-4.6A)
LLN  A1003 (-3.0A)
LLN  A1003 (-3.8A)
 0.74A 2weyA-5h2rA:
38.7		 2weyA-5h2rA:
29.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h2r PHOSPHODIESTERASE

(Trypanosoma
brucei) 		no annotation 7 TYR A 668
HIS A 669
VAL A 827
GLU A 844
PHE A 845
MET A 862
PHE A 878
 LLN  A1003 ( 4.8A)
None
LLN  A1003 (-4.0A)
None
LLN  A1003 (-4.6A)
LLN  A1003 (-3.5A)
LLN  A1003 (-3.8A)
 0.71A 2weyA-5h2rA:
38.7		 2weyA-5h2rA:
29.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ifk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Kluyveromyces
lactis) 		PF01048
(PNP_UDP_1) 		6 LEU A 118
LEU A  24
ILE A  65
TYR A  62
PHE A  68
PHE A  82
 None
 1.47A 2weyA-5ifkA:
undetectable		 2weyA-5ifkA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m0t ALPHA-KETOGLUTARATE-
DEPENDENT NON-HEME
IRON OXYGENASE EASH

(Aspergillus
japonicus) 		PF05721
(PhyH) 		5 HIS A  97
LEU A 113
LEU A 226
MET A 250
PHE A  86
 None
 1.28A 2weyA-5m0tA:
undetectable		 2weyA-5m0tA:
22.93
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.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		5 LEU A 792
VAL A 810
ILE A 675
TYR A 676
MET A 683
 None
 1.29A 2weyA-5mzoA:
undetectable		 2weyA-5mzoA:
12.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		5 VAL A 810
ILE A 675
TYR A 676
GLU A 678
MET A 683
 None
 1.24A 2weyA-5mzoA:
undetectable		 2weyA-5mzoA:
12.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G

(Methanothermococcus
thermolithotrophicus) 		PF01058
(Oxidored_q6) 		5 HIS E  16
LEU E  35
VAL E 160
GLU E  57
MET E  72
 None
None
None
SF4  E 302 (-3.8A)
None
 1.28A 2weyA-5odrE:
undetectable		 2weyA-5odrE:
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 9 TYR A 405
HIS A 406
LEU A 565
ILE A 582
GLU A 585
PHE A 586
MET A 603
GLN A 615
PHE A 618
 None
None
9VE  A 801 (-4.7A)
9VE  A 801 (-4.1A)
None
9VE  A 801 (-3.6A)
9VE  A 801 (-3.6A)
9VE  A 801 (-3.2A)
9VE  A 801 (-3.9A)
 1.04A 2weyA-5ohjA:
37.9		 2weyA-5ohjA:
11.47
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.
5txk UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE
35,UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 35

(Homo sapiens) 		no annotation 5 TYR A 524
LEU A 532
LEU A 484
ILE A 455
PHE A 465
 None
 1.28A 2weyA-5txkA:
undetectable		 2weyA-5txkA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2u HEAT SHOCK PROTEIN
104

(Saccharomyces
cerevisiae) 		PF02861
(Clp_N) 		6 TYR A  62
LEU A 117
LEU A  36
VAL A  69
GLU A  56
PHE A 130
 None
 1.36A 2weyA-5u2uA:
undetectable		 2weyA-5u2uA:
18.71
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.
5ums FACT COMPLEX SUBUNIT
SSRP1

(Homo sapiens) 		no annotation 5 LEU A 352
VAL A 418
ILE A 374
GLU A 373
PHE A 391
 None
 1.15A 2weyA-5umsA:
undetectable		 2weyA-5umsA:
13.19
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.
5vyd PHOSPHODIESTERASE

(Salpingoeca
rosetta) 		no annotation 5 HIS A  83
LEU A 237
GLU A 257
PHE A 258
PHE A 291
 None
 0.67A 2weyA-5vydA:
38.2		 2weyA-5vydA:
28.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 9 TYR A 159
HIS A 160
LEU A 319
ILE A 336
GLU A 339
PHE A 340
MET A 357
GLN A 369
PHE A 372
 AKJ  A 601 ( 4.7A)
None
AKJ  A 601 ( 4.6A)
AKJ  A 601 (-3.8A)
None
AKJ  A 601 (-4.5A)
AKJ  A 601 (-3.4A)
AKJ  A 601 (-3.0A)
AKJ  A 601 (-4.1A)
 1.07A 2weyA-5wh6A:
38.2		 2weyA-5wh6A:
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.
5whs CATALASE-PEROXIDASE

(Neurospora
crassa) 		no annotation 5 LEU A 635
LEU A 558
VAL A 566
GLU A 719
PHE A 722
 None
 1.14A 2weyA-5whsA:
undetectable		 2weyA-5whsA:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179) 		no annotation 5 TYR A 904
LEU A 561
ILE A 905
PHE A 909
PHE A 588
 None
 0.94A 2weyA-5wlhA:
undetectable		 2weyA-5wlhA:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wm4 SALICYLATE-AMP
LIGASE

(Streptomyces
gandocaensis) 		no annotation 5 LEU A 259
LEU A 125
VAL A 101
PHE A 114
PHE A 109
 None
 1.30A 2weyA-5wm4A:
undetectable		 2weyA-5wm4A:
14.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1e ICMO (DOTL)
ICMS
ICMW

(Legionella
pneumophila) 		PF12608
(T4bSS_IcmS)
no annotation 		5 LEU A  54
LEU A  84
VAL A  83
PHE C 678
PHE B 135
 None
 1.26A 2weyA-5x1eA:
undetectable		 2weyA-5x1eA:
15.74
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.
5xmi VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF04212
(MIT) 		5 LEU A 182
LEU A 145
VAL A 149
ILE A 228
PHE A 194
 None
 1.25A 2weyA-5xmiA:
undetectable		 2weyA-5xmiA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 5 LEU A 244
VAL A 141
ILE A 161
PHE A 274
PHE A 150
 None
 1.24A 2weyA-5xqoA:
undetectable		 2weyA-5xqoA:
14.67
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.
5y92 RECEPTOR-LIKE
PROTEIN KINASE
ANXUR2

(Arabidopsis
thaliana) 		no annotation 5 LEU A 154
LEU A 130
VAL A 123
ILE A 182
GLU A 183
 None
 1.15A 2weyA-5y92A:
undetectable		 2weyA-5y92A:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y96 RECEPTOR-LIKE
PROTEIN KINASE
ANXUR1

(Arabidopsis
thaliana) 		no annotation 5 LEU B 153
LEU B 129
VAL B 122
ILE B 181
GLU B 182
 None
 1.18A 2weyA-5y96B:
undetectable		 2weyA-5y96B:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z1g RIBOSOME BIOGENESIS
PROTEIN BRX1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU B 156
LEU B 101
ILE B 226
TYR B 237
PHE B 112
 None
 1.23A 2weyA-5z1gB:
undetectable		 2weyA-5z1gB:
14.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 5 LEU A 338
LEU A 381
VAL A 379
ILE A 352
PHE A 346
 None
 1.26A 2weyA-6eoqA:
undetectable		 2weyA-6eoqA:
14.66