SIMILAR PATTERNS OF AMINO ACIDS FOR 2ACL_A_REAA502_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.
1bii MHC CLASS I H-2DD

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 ALA A 140
ALA A 139
GLN A 141
ALA A 135
LEU A  82
 None
 0.94A 2aclA-1biiA:
undetectable
2aclE-1biiA:
undetectable		 2aclA-1biiA:
19.24
2aclE-1biiA:
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.
1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 ALA A 303
ALA A 304
LEU A 260
LEU A 416
ALA A 417
 None
 0.99A 2aclA-1e1cA:
undetectable
2aclE-1e1cA:
undetectable		 2aclA-1e1cA:
16.42
2aclE-1e1cA:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fnh PROTEIN
(FIBRONECTIN)

(Homo sapiens) 		PF00041
(fn3) 		5 GLN A 125
ASN A 167
LEU A 166
PHE A 124
LEU A 163
 None
 0.95A 2aclA-1fnhA:
undetectable
2aclE-1fnhA:
undetectable		 2aclA-1fnhA:
20.44
2aclE-1fnhA:
20.44
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.
1gk2 HISTIDINE
AMMONIA-LYASE

(Pseudomonas
putida) 		PF00221
(Lyase_aromatic) 		5 ALA A 299
ALA A 300
LEU A 341
ALA A 337
LEU A 509
 None
 1.01A 2aclA-1gk2A:
undetectable
2aclE-1gk2A:
undetectable		 2aclA-1gk2A:
17.67
2aclE-1gk2A:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		5 ALA A 105
ALA A 106
ASN A  27
LEU A  57
ALA A 166
 None
 0.85A 2aclA-1iduA:
undetectable
2aclE-1iduA:
undetectable		 2aclA-1iduA:
17.33
2aclE-1iduA:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jne IMAGINAL DISC GROWTH
FACTOR-2

(Drosophila
melanogaster) 		PF00704
(Glyco_hydro_18) 		5 ALA A 255
GLN A 258
ASN A 273
LEU A 219
ILE A 416
 None
NAG  A3100 (-3.3A)
None
None
None
 1.00A 2aclA-1jneA:
undetectable
2aclE-1jneA:
undetectable		 2aclA-1jneA:
21.28
2aclE-1jneA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Homo sapiens) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 ALA A 262
ALA A 263
ASN A 245
LEU A 249
ALA A 261
 None
 0.97A 2aclA-1pl0A:
undetectable
2aclE-1pl0A:
undetectable		 2aclA-1pl0A:
18.46
2aclE-1pl0A:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rtg HUMAN GELATINASE A

(Homo sapiens) 		PF00045
(Hemopexin) 		5 ALA A 570
ALA A 571
ASN A 573
LEU A 617
ALA A 619
 CL  A   1 ( 4.1A)
None
None
None
CL  A   1 (-3.4A)
 0.93A 2aclA-1rtgA:
undetectable
2aclE-1rtgA:
undetectable		 2aclA-1rtgA:
20.47
2aclE-1rtgA:
20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 ALA A 342
ALA A 343
GLN A 346
ASN A 377
LEU A 380
PHE A 384
ARG A 387
LEU A 397
ALA A 398
ILE A 416
CYH A 503
 MEI  A1001 (-3.1A)
MEI  A1001 (-3.3A)
None
None
MEI  A1001 (-3.8A)
MEI  A1001 (-4.5A)
MEI  A1001 (-3.6A)
MEI  A1001 ( 4.4A)
MEI  A1001 (-3.4A)
None
MEI  A1001 (-4.0A)
 0.73A 2aclA-1uhlA:
30.0
2aclE-1uhlA:
30.0		 2aclA-1uhlA:
88.19
2aclE-1uhlA:
88.19
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.
1ve5 THREONINE DEAMINASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 ALA A 285
ALA A 286
LEU A 261
ALA A 260
LEU A 301
 None
 0.97A 2aclA-1ve5A:
undetectable
2aclE-1ve5A:
undetectable		 2aclA-1ve5A:
21.91
2aclE-1ve5A:
21.91
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.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		6 ALA A 134
ALA A 135
LEU A 291
LEU A 165
ALA A 166
ILE A  87
 None
 1.42A 2aclA-1xa0A:
undetectable
2aclE-1xa0A:
undetectable		 2aclA-1xa0A:
24.35
2aclE-1xa0A:
24.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		11 ALA A 245
ALA A 246
GLN A 249
ASN A 280
LEU A 283
PHE A 287
ARG A 290
LEU A 300
ALA A 301
ILE A 319
CYH A 406
 9CR  A 201 (-3.6A)
9CR  A 201 (-3.6A)
9CR  A 201 (-4.1A)
None
9CR  A 201 ( 4.1A)
9CR  A 201 (-4.7A)
9CR  A 201 (-2.8A)
9CR  A 201 (-4.4A)
9CR  A 201 (-3.4A)
None
9CR  A 201 (-3.6A)
 0.49A 2aclA-1xiuA:
30.6
2aclE-1xiuA:
30.6		 2aclA-1xiuA:
81.09
2aclE-1xiuA:
81.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 ALA A 271
ALA A 272
GLN A 275
ASN A 306
LEU A 309
PHE A 313
ARG A 316
LEU A 326
ALA A 327
ILE A 345
CYH A 432
 9CR  A 801 (-3.6A)
9CR  A 801 (-3.5A)
9CR  A 801 (-4.7A)
None
9CR  A 801 (-4.2A)
9CR  A 801 (-4.3A)
9CR  A 801 (-2.6A)
9CR  A 801 (-4.1A)
9CR  A 801 (-3.3A)
9CR  A 801 ( 4.5A)
9CR  A 801 ( 3.7A)
 0.47A 2aclA-1xlsA:
29.8
2aclE-1xlsA:
29.6		 2aclA-1xlsA:
100.00
2aclE-1xlsA:
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.
1yt3 RIBONUCLEASE D

(Escherichia
coli) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		5 ALA A 152
ALA A 153
ASN A   2
LEU A  52
LEU A  43
 None
 1.03A 2aclA-1yt3A:
undetectable
2aclE-1yt3A:
undetectable		 2aclA-1yt3A:
22.87
2aclE-1yt3A:
22.87
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.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 452
ALA A 451
GLN A 453
LEU A 434
ALA A 435
 None
None
GOL  A3003 ( 3.8A)
None
None
 0.88A 2aclA-1zk7A:
undetectable
2aclE-1zk7A:
undetectable		 2aclA-1zk7A:
19.28
2aclE-1zk7A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		5 ALA A 163
ALA A 164
LEU A 174
ALA A  78
ILE A 225
 None
 0.91A 2aclA-1zkjA:
undetectable
2aclE-1zkjA:
undetectable		 2aclA-1zkjA:
22.01
2aclE-1zkjA:
22.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gl8 RETINOIC ACID
RECEPTOR RXR-GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 ASN A  85
LEU A  88
ARG A  95
ALA A 106
ILE A 124
CYH A 211
 None
 1.00A 2aclA-2gl8A:
27.9
2aclE-2gl8A:
27.7		 2aclA-2gl8A:
85.60
2aclE-2gl8A:
85.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gl8 RETINOIC ACID
RECEPTOR RXR-GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A  88
PHE A  92
ARG A  95
LEU A 105
ALA A 106
ILE A 124
CYH A 211
 None
 0.90A 2aclA-2gl8A:
27.9
2aclE-2gl8A:
27.7		 2aclA-2gl8A:
85.60
2aclE-2gl8A:
85.60
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.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		5 ASN A 151
LEU A 153
ALA A 104
ILE A 118
LEU A 138
 None
 1.02A 2aclA-2hruA:
undetectable
2aclE-2hruA:
undetectable		 2aclA-2hruA:
18.75
2aclE-2hruA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iu3 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Gallus gallus) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 ALA A 263
ALA A 264
ASN A 246
LEU A 250
ALA A 262
 None
 0.92A 2aclA-2iu3A:
undetectable
2aclE-2iu3A:
undetectable		 2aclA-2iu3A:
18.62
2aclE-2iu3A:
18.62
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.
2iu4 DIHYDROXYACETONE
KINASE

(Lactococcus
lactis) 		PF02733
(Dak1) 		5 ALA A  57
LEU A  67
ALA A  70
ILE A 182
LEU A 256
 None
 1.00A 2aclA-2iu4A:
undetectable
2aclE-2iu4A:
undetectable		 2aclA-2iu4A:
24.26
2aclE-2iu4A:
24.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ml2 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 6

(Azotobacter
vinelandii) 		no annotation 5 ALA A  97
LEU A 154
LEU A  98
ILE A  83
LEU A  45
 None
 0.92A 2aclA-2ml2A:
undetectable
2aclE-2ml2A:
undetectable		 2aclA-2ml2A:
22.92
2aclE-2ml2A:
22.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nxx ULTRASPIRACLE (USP,
NR2B4)

(Tribolium
castaneum) 		PF00104
(Hormone_recep) 		6 LEU A 255
PHE A 259
ARG A 262
LEU A 272
ALA A 273
CYH A 378
 None
 0.91A 2aclA-2nxxA:
24.5
2aclE-2nxxA:
24.6		 2aclA-2nxxA:
63.37
2aclE-2nxxA:
63.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzt HEXOKINASE-2

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 ALA A 391
ALA A 392
GLN A 395
LEU A 434
ILE A 273
 None
 0.91A 2aclA-2nztA:
undetectable
2aclE-2nztA:
undetectable		 2aclA-2nztA:
13.97
2aclE-2nztA:
13.97
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.
2o79 LYSOZYME

(Escherichia
virus T4) 		PF00959
(Phage_lysozyme) 		5 ALA A 129
PHE A 153
LEU A 133
ALA A 130
ILE A  78
 None
 1.00A 2aclA-2o79A:
undetectable
2aclE-2o79A:
undetectable		 2aclA-2o79A:
24.26
2aclE-2o79A:
24.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o7a LYSOZYME

(Escherichia
virus T4) 		PF00959
(Phage_lysozyme) 		5 ALA A 129
PHE A 153
LEU A 133
ALA A 130
ILE A  78
 None
 0.94A 2aclA-2o7aA:
undetectable
2aclE-2o7aA:
undetectable		 2aclA-2o7aA:
22.69
2aclE-2o7aA:
22.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q60 RETINOID X RECEPTOR

(Polyandrocarpa
misakiensis) 		PF00104
(Hormone_recep) 		7 ASN A 181
LEU A 184
PHE A 188
ARG A 191
ALA A 202
ILE A 220
CYH A 307
 None
 0.66A 2aclA-2q60A:
28.2
2aclE-2q60A:
28.1		 2aclA-2q60A:
71.81
2aclE-2q60A:
71.81
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.
2qb0 TELSAM DOMAIN -
LYSOZYME CHIMERA

(Escherichia
virus T4) 		PF00959
(Phage_lysozyme)
PF02198
(SAM_PNT) 		5 ALA B 222
PHE B 246
LEU B 226
ALA B 223
ILE B 171
 None
 0.94A 2aclA-2qb0B:
undetectable
2aclE-2qb0B:
undetectable		 2aclA-2qb0B:
24.05
2aclE-2qb0B:
24.05
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.
2qz6 BETA-LACTAMASE

(Pseudomonas
fluorescens) 		PF00144
(Beta-lactamase) 		5 ALA A 162
ALA A 163
LEU A 173
ALA A  77
ILE A 224
 None
 1.00A 2aclA-2qz6A:
undetectable
2aclE-2qz6A:
undetectable		 2aclA-2qz6A:
20.89
2aclE-2qz6A:
20.89
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.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 ASN A 156
ARG A 167
LEU A 166
ALA A 164
LEU A 153
 None
 0.99A 2aclA-2wpgA:
undetectable
2aclE-2wpgA:
undetectable		 2aclA-2wpgA:
16.67
2aclE-2wpgA:
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.
2wxu PHOSPHOLIPASE C

(Clostridium
perfringens) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		5 ALA A 105
ASN A 247
LEU A 121
ALA A 117
ILE A 179
 None
 0.94A 2aclA-2wxuA:
undetectable
2aclE-2wxuA:
undetectable		 2aclA-2wxuA:
21.39
2aclE-2wxuA:
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.
3d8u PURR TRANSCRIPTIONAL
REGULATOR

(Vibrio
parahaemolyticus) 		PF13377
(Peripla_BP_3) 		5 ALA A 311
ALA A 310
LEU A  96
ALA A  95
ILE A  76
 None
 0.96A 2aclA-3d8uA:
undetectable
2aclE-3d8uA:
undetectable		 2aclA-3d8uA:
25.62
2aclE-3d8uA:
25.62
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.
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF01266
(DAO) 		5 ALA A 205
ALA A 204
LEU A 212
ALA A 209
LEU A  31
 FAD  A 500 (-3.6A)
None
FAD  A 500 ( 4.3A)
None
None
 0.86A 2aclA-3dmeA:
undetectable
2aclE-3dmeA:
undetectable		 2aclA-3dmeA:
21.00
2aclE-3dmeA:
21.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		10 ALA A 271
ALA A 272
GLN A 275
ASN A 306
LEU A 309
PHE A 313
ARG A 316
LEU A 326
ILE A 345
CYH A 432
 9CR  A7223 (-3.5A)
9CR  A7223 (-4.2A)
9CR  A7223 (-4.6A)
9CR  A7223 (-3.9A)
9CR  A7223 ( 4.4A)
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
9CR  A7223 (-3.8A)
9CR  A7223 ( 4.9A)
9CR  A7223 (-3.8A)
 0.75A 2aclA-3dzuA:
29.9
2aclE-3dzuA:
29.9		 2aclA-3dzuA:
100.00
2aclE-3dzuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		8 GLN A 275
LEU A 309
PHE A 313
ARG A 316
LEU A 326
ALA A 327
ILE A 345
CYH A 432
 9CR  A7223 (-4.6A)
9CR  A7223 ( 4.4A)
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
9CR  A7223 (-3.8A)
9CR  A7223 ( 4.7A)
9CR  A7223 ( 4.9A)
9CR  A7223 (-3.8A)
 0.73A 2aclA-3dzuA:
29.9
2aclE-3dzuA:
29.9		 2aclA-3dzuA:
100.00
2aclE-3dzuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3eyb NUCLEAR HORMONE
RECEPTOR RXR

(Branchiostoma
floridae) 		PF00104
(Hormone_recep) 		5 ASN A 335
LEU A 338
PHE A 342
ALA A 356
CYH A 461
 None
 0.81A 2aclA-3eybA:
28.0
2aclE-3eybA:
27.8		 2aclA-3eybA:
84.14
2aclE-3eybA:
84.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3eyb NUCLEAR HORMONE
RECEPTOR RXR

(Branchiostoma
floridae) 		PF00104
(Hormone_recep) 		5 ASN A 335
LEU A 338
PHE A 342
ILE A 374
CYH A 461
 None
 0.89A 2aclA-3eybA:
28.0
2aclE-3eybA:
27.8		 2aclA-3eybA:
84.14
2aclE-3eybA:
84.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3eyb NUCLEAR HORMONE
RECEPTOR RXR

(Branchiostoma
floridae) 		PF00104
(Hormone_recep) 		5 ASN A 335
PHE A 342
LEU A 355
ALA A 356
CYH A 461
 None
 1.01A 2aclA-3eybA:
28.0
2aclE-3eybA:
27.8		 2aclA-3eybA:
84.14
2aclE-3eybA:
84.14
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.
3gzd SELENOCYSTEINE LYASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		6 ALA C 437
GLN C 376
LEU C 441
LEU C 374
ALA C 375
ILE C 343
 None
 1.46A 2aclA-3gzdC:
undetectable
2aclE-3gzdC:
undetectable		 2aclA-3gzdC:
21.32
2aclE-3gzdC:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Schizosaccharomyces
pombe) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLN A 582
ASN A 615
LEU A 584
ILE A 639
LEU A 594
 None
 0.95A 2aclA-3h0gA:
undetectable
2aclE-3h0gA:
undetectable		 2aclA-3h0gA:
11.34
2aclE-3h0gA:
11.34
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.
3hr8 PROTEIN RECA

(Thermotoga
maritima) 		PF00154
(RecA) 		5 ALA A  85
GLN A  86
LEU A 142
ALA A  92
ILE A  49
 None
 0.95A 2aclA-3hr8A:
undetectable
2aclE-3hr8A:
undetectable		 2aclA-3hr8A:
22.04
2aclE-3hr8A:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lop SUBSTRATE BINDING
PERIPLASMIC PROTEIN

(Ralstonia
solanacearum) 		PF13458
(Peripla_BP_6) 		5 ALA A 329
LEU A 346
ALA A 345
ILE A  39
LEU A  79
 None
None
None
None
EDO  A 401 ( 4.5A)
 0.70A 2aclA-3lopA:
undetectable
2aclE-3lopA:
undetectable		 2aclA-3lopA:
22.46
2aclE-3lopA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nf4 ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 306
ALA A 307
LEU A  77
ALA A 320
LEU A  10
 None
 1.02A 2aclA-3nf4A:
undetectable
2aclE-3nf4A:
undetectable		 2aclA-3nf4A:
22.40
2aclE-3nf4A:
22.40
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.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ALA A1129
PHE A1153
LEU A1133
ALA A1130
ILE A1078
 None
 0.99A 2aclA-3pblA:
2.6
2aclE-3pblA:
2.6		 2aclA-3pblA:
18.63
2aclE-3pblA:
18.63
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.
3pic CIP2

(Trichoderma
reesei) 		no annotation 5 ALA A 359
ALA A 358
LEU A 357
LEU A 114
ILE A 312
 None
 1.01A 2aclA-3picA:
undetectable
2aclE-3picA:
undetectable		 2aclA-3picA:
19.28
2aclE-3picA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pwv MHC CLASS I ANTIGEN

(Bos taurus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 ALA A 139
ALA A 138
GLN A 140
ALA A 134
LEU A  81
 None
 0.99A 2aclA-3pwvA:
undetectable
2aclE-3pwvA:
undetectable		 2aclA-3pwvA:
22.07
2aclE-3pwvA:
22.07
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.
3q15 RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE H

(Bacillus
subtilis) 		PF13176
(TPR_7) 		6 ALA A 246
ALA A 247
LEU A 258
LEU A 224
ALA A 220
LEU A 269
 None
 1.29A 2aclA-3q15A:
undetectable
2aclE-3q15A:
undetectable		 2aclA-3q15A:
21.41
2aclE-3q15A:
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.
3sd7 PUTATIVE PHOSPHATASE

(Clostridioides
difficile) 		PF13419
(HAD_2) 		5 ALA A 133
ALA A 116
ILE A 104
CYH A 155
LEU A 152
 GOL  A 221 (-3.6A)
None
None
None
None
 1.00A 2aclA-3sd7A:
undetectable
2aclE-3sd7A:
undetectable		 2aclA-3sd7A:
21.19
2aclE-3sd7A:
21.19
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.
3uyk NDP-RHAMNOSYLTRANSFE
RASE

(Saccharopolyspora
spinosa) 		PF06722
(DUF1205) 		5 ALA A 329
ALA A 362
LEU A 324
ALA A 327
LEU A 283
 None
 0.99A 2aclA-3uykA:
undetectable
2aclE-3uykA:
undetectable		 2aclA-3uykA:
20.82
2aclE-3uykA:
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.
3v2y SPHINGOSINE
1-PHOSPHATE RECEPTOR
1, LYSOZYME CHIMERA
(E.C.3.2.1.17)

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ALA A1129
PHE A1153
LEU A1133
ALA A1130
ILE A1078
 None
 0.97A 2aclA-3v2yA:
undetectable
2aclE-3v2yA:
undetectable		 2aclA-3v2yA:
17.80
2aclE-3v2yA:
17.80
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.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		5 ALA A 111
LEU A 115
ALA A 112
ILE A 266
LEU A 241
 None
 0.95A 2aclA-3wibA:
undetectable
2aclE-3wibA:
undetectable		 2aclA-3wibA:
23.33
2aclE-3wibA:
23.33
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 ALA A 360
ALA A 361
ASN A 434
LEU A 350
ILE A 718
 None
 0.95A 2aclA-3wiqA:
undetectable
2aclE-3wiqA:
undetectable		 2aclA-3wiqA:
16.01
2aclE-3wiqA:
16.01
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 ALA A 360
ALA A 361
LEU A 350
ALA A 318
ILE A 718
 None
 0.99A 2aclA-3wiqA:
undetectable
2aclE-3wiqA:
undetectable		 2aclA-3wiqA:
16.01
2aclE-3wiqA:
16.01
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.
3wmx NAD DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Cupriavidus
necator) 		PF01370
(Epimerase) 		6 ALA A  78
ALA A  77
ASN A  14
LEU A  80
ALA A  79
LEU A  21
 NAD  A 401 (-3.5A)
NAD  A 401 (-3.4A)
None
THR  A 402 (-3.6A)
None
None
 1.49A 2aclA-3wmxA:
undetectable
2aclE-3wmxA:
undetectable		 2aclA-3wmxA:
22.29
2aclE-3wmxA:
22.29
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.
4djh KAPPA-TYPE OPIOID
RECEPTOR, LYSOZYME

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ALA A1129
PHE A1153
LEU A1133
ALA A1130
ILE A1078
 None
 0.97A 2aclA-4djhA:
undetectable
2aclE-4djhA:
undetectable		 2aclA-4djhA:
18.58
2aclE-4djhA:
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.
4dkl MU-TYPE OPIOID
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Mus musculus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ALA A1129
PHE A1153
LEU A1133
ALA A1130
ILE A1078
 None
 0.99A 2aclA-4dklA:
undetectable
2aclE-4dklA:
undetectable		 2aclA-4dklA:
19.01
2aclE-4dklA:
19.01
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.
4epi PESTICIN, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Yersinia pestis) 		PF00959
(Phage_lysozyme) 		5 ALA A 294
PHE A 318
LEU A 298
ALA A 295
ILE A 243
 None
 1.03A 2aclA-4epiA:
undetectable
2aclE-4epiA:
undetectable		 2aclA-4epiA:
20.83
2aclE-4epiA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g97 RESPONSE REGULATOR
RECEIVER

(Brucella
abortus) 		PF00072
(Response_reg) 		5 ALA A 253
GLN A 252
LEU A 249
LEU A 254
ILE A 144
 None
 0.95A 2aclA-4g97A:
undetectable
2aclE-4g97A:
undetectable		 2aclA-4g97A:
23.51
2aclE-4g97A:
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.
4i7l LYSOZYME

(Escherichia
virus T4) 		PF00959
(Phage_lysozyme) 		5 ALA A 129
PHE A 153
LEU A 133
ALA A 130
ILE A  78
 None
IPH  A 202 (-4.4A)
None
BME  A 210 ( 4.3A)
IPH  A 202 ( 4.5A)
 1.00A 2aclA-4i7lA:
undetectable
2aclE-4i7lA:
undetectable		 2aclA-4i7lA:
21.05
2aclE-4i7lA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ia4 AQUAPORIN

(Spinacia
oleracea) 		PF00230
(MIP) 		5 ALA A 257
ALA A 258
GLN A 261
LEU A 110
ALA A 111
 None
 0.92A 2aclA-4ia4A:
undetectable
2aclE-4ia4A:
undetectable		 2aclA-4ia4A:
22.45
2aclE-4ia4A:
22.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 10 ALA D 271
ALA D 272
GLN D 275
ASN D 306
LEU D 309
PHE D 313
ARG D 316
ALA D 327
ILE D 345
CYH D 432
 None
 0.76A 2aclA-4j5xD:
28.4
2aclE-4j5xD:
28.3		 2aclA-4j5xD:
100.00
2aclE-4j5xD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 10 ALA D 271
ALA D 272
GLN D 275
LEU D 309
PHE D 313
ARG D 316
LEU D 326
ALA D 327
ILE D 345
CYH D 432
 None
 0.72A 2aclA-4j5xD:
28.4
2aclE-4j5xD:
28.3		 2aclA-4j5xD:
100.00
2aclE-4j5xD:
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.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ALA A 994
PHE A1018
LEU A 998
ALA A 995
ILE A 943
 None
 0.93A 2aclA-4ldeA:
undetectable
2aclE-4ldeA:
undetectable		 2aclA-4ldeA:
19.87
2aclE-4ldeA:
19.87
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.
4lom IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Mycobacterium
tuberculosis) 		PF00475
(IGPD) 		5 ALA A  86
GLN A  89
LEU A  28
ALA A  13
LEU A 165
 None
 0.78A 2aclA-4lomA:
undetectable
2aclE-4lomA:
undetectable		 2aclA-4lomA:
20.97
2aclE-4lomA:
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.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		5 ALA A 118
ALA A 117
GLN A 119
ALA A 143
LEU A 448
 None
 0.98A 2aclA-4mnrA:
undetectable
2aclE-4mnrA:
undetectable		 2aclA-4mnrA:
20.04
2aclE-4mnrA:
20.04
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.
4pbo C-REACTIVE PROTEIN

(Danio rerio) 		PF00354
(Pentaxin) 		5 ALA A 109
GLN A 120
LEU A  74
ALA A  83
LEU A 167
 None
 0.91A 2aclA-4pboA:
undetectable
2aclE-4pboA:
undetectable		 2aclA-4pboA:
24.15
2aclE-4pboA:
24.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiw DNA-DIRECTED RNA
POLYMERASE
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''

(Thermococcus
kodakarensis) 		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) 		5 ALA C  68
ALA C  69
ASN A 847
LEU A 845
LEU C 307
 None
 0.93A 2aclA-4qiwC:
undetectable
2aclE-4qiwC:
undetectable		 2aclA-4qiwC:
22.28
2aclE-4qiwC:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE

(Mycolicibacterium
smegmatis) 		PF04127
(DFP) 		5 ALA A 277
ALA A 196
PHE A 332
ALA A 278
ILE A 405
 CTP  A 500 (-4.8A)
None
None
None
None
 1.00A 2aclA-4qjiA:
undetectable
2aclE-4qjiA:
undetectable		 2aclA-4qjiA:
23.08
2aclE-4qjiA:
23.08
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.
4wtv PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-BETA,ENDOLYSIN,PHO
SPHATIDYLINOSITOL
4-KINASE TYPE 2-BETA

(Escherichia
virus T4;
Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00959
(Phage_lysozyme) 		5 ALA A1128
PHE A1152
LEU A1132
ALA A1129
ILE A1077
 None
 0.89A 2aclA-4wtvA:
undetectable
2aclE-4wtvA:
undetectable		 2aclA-4wtvA:
20.53
2aclE-4wtvA:
20.53
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.
4xai GRUNGE, ISOFORM J
MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TAILLESS
ORTHOLOG

(Drosophila
melanogaster;
Escherichia
coli;
Tribolium
castaneum) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8)
no annotation 		5 ALA A1204
ALA A1203
GLN A1205
LEU P1820
ALA P1819
 None
 0.98A 2aclA-4xaiA:
14.3
2aclE-4xaiA:
14.5		 2aclA-4xaiA:
18.87
2aclE-4xaiA:
18.87
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.
4xee NEUROTENSIN RECEPTOR
TYPE 1, ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ALA A1129
PHE A1153
LEU A1133
ALA A1130
ILE A1078
 None
 0.93A 2aclA-4xeeA:
undetectable
2aclE-4xeeA:
undetectable		 2aclA-4xeeA:
18.46
2aclE-4xeeA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xg0 UNCHARACTERIZED
PROTEIN

(Bordetella
bronchiseptica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ALA A 322
ALA A 321
LEU A 348
ALA A 347
ILE A 398
 None
 0.84A 2aclA-4xg0A:
undetectable
2aclE-4xg0A:
undetectable		 2aclA-4xg0A:
20.05
2aclE-4xg0A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ynv ACL4

(Chaetomium
thermophilum) 		PF13432
(TPR_16) 		5 ALA A  49
ALA A  50
LEU A  74
LEU A  41
ALA A  37
 None
 0.97A 2aclA-4ynvA:
undetectable
2aclE-4ynvA:
undetectable		 2aclA-4ynvA:
25.16
2aclE-4ynvA:
25.16
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.
4yx7 OXYGEN-REGULATED
INVASION PROTEIN
ORGB,ENDOLYSIN

(Escherichia
virus T4;
Salmonella
enterica) 		PF00959
(Phage_lysozyme) 		5 ALA C 162
PHE C 186
LEU C 166
ALA C 163
ILE C 111
 None
 1.01A 2aclA-4yx7C:
undetectable
2aclE-4yx7C:
undetectable		 2aclA-4yx7C:
23.90
2aclE-4yx7C:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yxc FLAGELLAR ASSEMBLY
PROTEIN H,ENDOLYSIN

(Escherichia
virus T4;
Salmonella
enterica) 		PF00959
(Phage_lysozyme) 		5 ALA A 150
PHE A 174
LEU A 154
ALA A 151
ILE A  99
 None
 0.98A 2aclA-4yxcA:
undetectable
2aclE-4yxcA:
undetectable		 2aclA-4yxcA:
22.31
2aclE-4yxcA:
22.31
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.
5bt1 HAT1-INTERACTING
FACTOR 1

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A  41
ALA A  42
LEU A  33
ALA A  29
ILE A 245
 None
 0.64A 2aclA-5bt1A:
undetectable
2aclE-5bt1A:
undetectable		 2aclA-5bt1A:
22.68
2aclE-5bt1A:
22.68
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.
5bz6 LYSOZYME,CALCIUM
UNIPORTER PROTEIN,
MITOCHONDRIAL

(Escherichia
virus T4;
Homo sapiens) 		PF00959
(Phage_lysozyme) 		5 ALA A 129
PHE A 153
LEU A 133
ALA A 130
ILE A  78
 None
 0.97A 2aclA-5bz6A:
undetectable
2aclE-5bz6A:
undetectable		 2aclA-5bz6A:
24.82
2aclE-5bz6A:
24.82
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.
5ee7 GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		5 ALA A1127
PHE A1151
LEU A1131
ALA A1128
ILE A1076
 None
 0.94A 2aclA-5ee7A:
2.3
2aclE-5ee7A:
2.2		 2aclA-5ee7A:
18.06
2aclE-5ee7A:
18.06
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.
5eut PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA,ENDOLYSIN,PH
OSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA

(Escherichia
virus T4;
Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00959
(Phage_lysozyme) 		5 ALA A1131
PHE A1155
LEU A1135
ALA A1132
ILE A1080
 None
 0.88A 2aclA-5eutA:
undetectable
2aclE-5eutA:
undetectable		 2aclA-5eutA:
18.96
2aclE-5eutA:
18.96
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.
5f2o FATTY ACID
O-METHYLTRANSFERASE

(Mycobacterium
marinum) 		PF03492
(Methyltransf_7) 		5 ALA A  66
PHE A 104
LEU A 107
ALA A 106
ILE A 138
 SAH  A 400 (-3.3A)
None
None
None
None
 1.02A 2aclA-5f2oA:
undetectable
2aclE-5f2oA:
undetectable		 2aclA-5f2oA:
23.85
2aclE-5f2oA:
23.85
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.
5g06 EXOSOME COMPLEX
COMPONENT RRP42

(Saccharomyces
cerevisiae) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ALA E 209
LEU E 198
LEU E 231
ILE E 215
LEU E 244
 None
 0.91A 2aclA-5g06E:
undetectable
2aclE-5g06E:
undetectable		 2aclA-5g06E:
23.16
2aclE-5g06E:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i14 MUTATED AND
TRUNCATED T4
LYSOZYME

(Escherichia
virus T4) 		PF00959
(Phage_lysozyme) 		5 ALA A  86
PHE A 110
LEU A  90
ALA A  87
ILE A  35
 None
 0.93A 2aclA-5i14A:
undetectable
2aclE-5i14A:
undetectable		 2aclA-5i14A:
19.67
2aclE-5i14A:
19.67
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.
5lj6 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Aggregatibacter
actinomycetemcomitans) 		no annotation 5 ALA A 632
ALA A 633
ASN A 563
ALA A 640
LEU A 569
 None
 1.02A 2aclA-5lj6A:
undetectable
2aclE-5lj6A:
undetectable		 2aclA-5lj6A:
17.30
2aclE-5lj6A:
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.
5mg5 HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Pseudomonas
protegens) 		no annotation 6 ALA A 164
ALA A  13
LEU A 329
LEU A 281
ALA A 278
ILE A 174
 None
 1.28A 2aclA-5mg5A:
undetectable
2aclE-5mg5A:
undetectable		 2aclA-5mg5A:
14.91
2aclE-5mg5A:
14.91
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.
5mza ERYTHROCYTE MEMBRANE
PROTEIN 1 (PFEMP1)

(Plasmodium
falciparum) 		PF05424
(Duffy_binding) 		5 ALA A 878
ALA A 877
LEU A 876
ALA A 974
ILE A 935
 None
 1.01A 2aclA-5mzaA:
2.4
2aclE-5mzaA:
undetectable		 2aclA-5mzaA:
18.55
2aclE-5mzaA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzy GLUTACONATE
COA-TRANSFERASE
FAMILY, SUBUNIT A

(Myxococcus
xanthus) 		PF01144
(CoA_trans) 		5 ALA A 189
ALA A 190
PHE A 157
LEU A 113
ALA A 116
 None
 1.01A 2aclA-5mzyA:
undetectable
2aclE-5mzyA:
undetectable		 2aclA-5mzyA:
24.01
2aclE-5mzyA:
24.01
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.
5n0g PRECORRIN-8X
METHYLMUTASE

(Rhodobacter
capsulatus) 		no annotation 5 ALA A  44
ALA A  43
ASN A 202
LEU A  49
ILE A 160
 None
8F5  A 301 ( 4.1A)
8F5  A 301 (-3.8A)
None
None
 0.98A 2aclA-5n0gA:
undetectable
2aclE-5n0gA:
undetectable		 2aclA-5n0gA:
18.03
2aclE-5n0gA:
18.03
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.
5ndz LYSOZYME,PROTEINASE-
ACTIVATED RECEPTOR
2,SOLUBLE CYTOCHROME
B562,PROTEINASE-ACTI
VATED RECEPTOR 2

(Escherichia
coli;
Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
PF07361
(Cytochrom_B562) 		5 ALA A1129
PHE A1153
LEU A1133
ALA A1130
ILE A1078
 None
 1.02A 2aclA-5ndzA:
2.3
2aclE-5ndzA:
2.3		 2aclA-5ndzA:
16.45
2aclE-5ndzA:
16.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5sva MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 21
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 7

(Saccharomyces
cerevisiae) 		PF05983
(Med7)
PF11221
(Med21) 		5 GLN W   7
ASN W  74
LEU W  76
LEU W   5
LEU U 122
 None
 1.03A 2aclA-5svaW:
undetectable
2aclE-5svaW:
undetectable		 2aclA-5svaW:
22.27
2aclE-5svaW:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2l HEAT SHOCK PROTEIN
104

(Candida
albicans) 		PF02861
(Clp_N) 		5 ALA A  34
ALA A  35
ASN A  13
LEU A  71
ILE A  84
 None
 0.95A 2aclA-5u2lA:
undetectable
2aclE-5u2lA:
undetectable		 2aclA-5u2lA:
19.92
2aclE-5u2lA:
19.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 11 ALA A 271
ALA A 272
GLN A 275
ASN A 306
LEU A 309
PHE A 313
ARG A 316
LEU A 326
ALA A 327
ILE A 345
CYH A 432
 9CR  A 503 (-3.5A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.8A)
None
9CR  A 503 (-3.7A)
9CR  A 503 (-4.7A)
9CR  A 503 (-3.0A)
9CR  A 503 (-4.3A)
9CR  A 503 (-3.4A)
None
9CR  A 503 (-3.3A)
 0.63A 2aclA-5uanA:
29.7
2aclE-5uanA:
29.6		 2aclA-5uanA:
100.00
2aclE-5uanA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 7 ALA A 271
ALA A 272
PHE A 313
ARG A 316
LEU A 326
ALA A 327
ILE A 428
 9CR  A 503 (-3.5A)
9CR  A 503 (-3.5A)
9CR  A 503 (-4.7A)
9CR  A 503 (-3.0A)
9CR  A 503 (-4.3A)
9CR  A 503 (-3.4A)
None
 1.31A 2aclA-5uanA:
29.7
2aclE-5uanA:
29.6		 2aclA-5uanA:
100.00
2aclE-5uanA:
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.
5uxv SENSORY TRANSDUCTION
REGULATORY PROTEIN

(Bartonella
quintana) 		no annotation 5 ALA A 253
GLN A 252
LEU A 249
LEU A 254
ILE A 144
 None
 1.00A 2aclA-5uxvA:
undetectable
2aclE-5uxvA:
undetectable		 2aclA-5uxvA:
19.67
2aclE-5uxvA:
19.67
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.
5vba LYSOZYME, ESX-1
SECRETION-ASSOCIATED
PROTEIN ESPG1
CHIMERA

(Escherichia
virus T4;
Mycobacterium
kansasii) 		PF00959
(Phage_lysozyme)
PF14011
(ESX-1_EspG) 		5 ALA A1129
PHE A1153
LEU A1133
ALA A1130
ILE A1078
 None
 1.02A 2aclA-5vbaA:
undetectable
2aclE-5vbaA:
undetectable		 2aclA-5vbaA:
22.27
2aclE-5vbaA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vew GLUCAGON-LIKE
PEPTIDE 1
RECEPTOR,ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		5 ALA A1129
PHE A1153
LEU A1133
ALA A1130
ILE A1078
 None
 0.95A 2aclA-5vewA:
2.1
2aclE-5vewA:
2.1		 2aclA-5vewA:
20.22
2aclE-5vewA:
20.22
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.
5xez GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme)
PF02793
(HRM) 		5 ALA A1129
PHE A1153
LEU A1133
ALA A1130
ILE A1078
 None
 1.03A 2aclA-5xezA:
2.8
2aclE-5xezA:
undetectable		 2aclA-5xezA:
17.62
2aclE-5xezA:
17.62
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.
5xsz LYSOPHOSPHATIDIC
ACID RECEPTOR
6A,ENDOLYSIN,LYSOPHO
SPHATIDIC ACID
RECEPTOR 6A

(Danio rerio;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ALA A1129
PHE A1153
LEU A1133
ALA A1130
ILE A1078
 None
 0.99A 2aclA-5xszA:
undetectable
2aclE-5xszA:
undetectable		 2aclA-5xszA:
19.67
2aclE-5xszA:
19.67
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.
5yqr ENDOLYSIN/MEMBRANE-A
NCHORED
LIPID-BINDING
PROTEIN LAM6 FUSION
PROTEIN

(Escherichia
virus T4;
Saccharomyces
cerevisiae) 		no annotation 5 ALA A 129
PHE A 153
LEU A 133
ALA A 130
ILE A  78
 None
 0.96A 2aclA-5yqrA:
undetectable
2aclE-5yqrA:
undetectable		 2aclA-5yqrA:
18.84
2aclE-5yqrA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d95 -

(-) 		no annotation 5 ALA A 132
ALA A 133
LEU A 138
LEU A 267
ALA A 266
 None
 0.93A 2aclA-6d95A:
undetectable
2aclE-6d95A:
undetectable		 2aclA-6d95A:
undetectable
2aclE-6d95A:
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.
6d95 -

(-) 		no annotation 5 ALA A 132
ALA A 133
LEU A 267
ALA A 266
ILE A 180
 None
 0.89A 2aclA-6d95A:
undetectable
2aclE-6d95A:
undetectable		 2aclA-6d95A:
undetectable
2aclE-6d95A:
undetectable