SIMILAR PATTERNS OF AMINO ACIDS FOR 2ACL_E_REAE504_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.
1akm ORNITHINE
TRANSCARBAMYLASE


(Escherichia
coli)
PF00185
(OTCace)
PF02729
(OTCace_N)
5 ALA A  65
ALA A  66
GLN A  69
ASN A  46
ILE A 103
None
1.12A 2aclE-1akmA:
undetectable
2aclE-1akmA:
21.60
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.
1c7k ZINC ENDOPROTEASE

(Streptomyces
caespitosus)
PF02031
(Peptidase_M7)
5 ILE A  18
ALA A  21
ALA A  22
LEU A  34
ALA A  82
None
1.08A 2aclE-1c7kA:
undetectable
2aclE-1c7kA:
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.
1eom ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F3


(Elizabethkingia
meningoseptica)
PF00704
(Glyco_hydro_18)
5 ILE A 127
ALA A 193
LEU A 163
ALA A 157
ILE A  86
None
None
None
SO4  A 702 ( 4.3A)
None
1.09A 2aclE-1eomA:
undetectable
2aclE-1eomA:
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.
1idu VANADIUM
CHLOROPEROXIDASE


(Curvularia
inaequalis)
PF01569
(PAP2)
5 ALA A 105
ALA A 106
ASN A  27
LEU A  57
ALA A 166
None
0.81A 2aclE-1iduA:
undetectable
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
0.98A 2aclE-1jneA:
undetectable
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis)
PF00245
(Alk_phosphatase)
5 ILE A 350
ALA A  28
GLN A  27
ARG A 137
ILE A 458
None
1.12A 2aclE-1k7hA:
undetectable
2aclE-1k7hA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nmo HYPOTHETICAL PROTEIN
YBGI


(Escherichia
coli)
PF01784
(NIF3)
5 ILE A 179
ALA A 182
ALA A 183
ALA A 169
ILE A 200
None
0.96A 2aclE-1nmoA:
undetectable
2aclE-1nmoA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE


(Enterobacter
cloacae)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 ILE A 457
ASN A 461
LEU A 460
ALA A 381
ILE A 489
None
1.05A 2aclE-1ovmA:
undetectable
2aclE-1ovmA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.04A 2aclE-1pl0A:
undetectable
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.
1qgd PROTEIN
(TRANSKETOLASE)


(Escherichia
coli)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 ALA A 135
ALA A 134
GLN A 136
LEU A 133
ALA A 401
None
1.12A 2aclE-1qgdA:
undetectable
2aclE-1qgdA:
16.51
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.
1tt4 PUTATIVE CYTOPLASMIC
PROTEIN


(Salmonella
enterica)
PF04107
(GCS2)
5 ILE A  83
ALA A  86
ALA A  87
LEU A  92
ALA A  40
None
1.04A 2aclE-1tt4A:
undetectable
2aclE-1tt4A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6g TIP120 PROTEIN

(Homo sapiens)
PF08623
(TIP120)
5 ILE C1081
ALA C1084
ALA C1085
ASN C1054
LEU C1052
None
0.95A 2aclE-1u6gC:
undetectable
2aclE-1u6gC:
12.14
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 ILE A 339
ALA A 342
ALA A 343
GLN A 346
ASN A 377
LEU A 380
PHE A 384
ARG A 387
ALA A 398
ILE A 416
CYH A 503
MEI  A1001 (-3.8A)
MEI  A1001 (-3.1A)
MEI  A1001 (-3.3A)
None
None
MEI  A1001 (-3.8A)
MEI  A1001 (-4.5A)
MEI  A1001 (-3.6A)
MEI  A1001 (-3.4A)
None
MEI  A1001 (-4.0A)
0.89A 2aclE-1uhlA:
30.0
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.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES


(Geobacillus
stearothermophilus)
PF00107
(ADH_zinc_N)
5 ALA A 134
ALA A 135
LEU A 291
ALA A 166
ILE A  87
None
1.07A 2aclE-1xa0A:
undetectable
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 ILE A 242
ALA A 245
ALA A 246
GLN A 249
ASN A 280
LEU A 283
PHE A 287
ARG A 290
ALA A 301
ILE A 319
CYH A 406
9CR  A 201 ( 4.4A)
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 (-3.4A)
None
9CR  A 201 (-3.6A)
0.51A 2aclE-1xiuA:
30.6
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 ILE A 268
ALA A 271
ALA A 272
GLN A 275
ASN A 306
LEU A 309
PHE A 313
ARG A 316
ALA A 327
ILE A 345
CYH A 432
9CR  A 801 (-3.9A)
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 (-3.3A)
9CR  A 801 ( 4.5A)
9CR  A 801 ( 3.7A)
0.58A 2aclE-1xlsA:
29.6
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.
1xwd FOLLICLE STIMULATING
HORMONE RECEPTOR


(Homo sapiens)
PF01462
(LRRNT)
PF13306
(LRR_5)
5 ILE C 185
ALA C 189
ASN C 211
PHE C 214
ILE C 230
None
1.11A 2aclE-1xwdC:
undetectable
2aclE-1xwdC:
24.23
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.
1yt5 INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE


(Thermotoga
maritima)
PF01513
(NAD_kinase)
5 ILE A 134
ALA A 148
ASN A 210
ALA A 184
ILE A 224
None
1.04A 2aclE-1yt5A:
undetectable
2aclE-1yt5A:
20.30
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.
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
0.97A 2aclE-1zkjA:
undetectable
2aclE-1zkjA:
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.
2a87 THIOREDOXIN
REDUCTASE


(Mycobacterium
tuberculosis)
PF07992
(Pyr_redox_2)
5 ILE A 309
ALA A 308
ALA A 311
LEU A 315
ALA A  33
None
1.10A 2aclE-2a87A:
undetectable
2aclE-2a87A:
23.01
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.
2c4m GLYCOGEN
PHOSPHORYLASE


(Corynebacterium
callunae)
PF00343
(Phosphorylase)
6 ILE A 405
ALA A 402
ALA A 330
ASN A 295
LEU A 294
ALA A 401
None
1.13A 2aclE-2c4mA:
undetectable
2aclE-2c4mA:
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.
2dc1 L-ASPARTATE
DEHYDROGENASE


(Archaeoglobus
fulgidus)
PF01958
(DUF108)
PF03447
(NAD_binding_3)
5 ILE A   6
ALA A  58
ALA A  57
LEU A  80
ILE A  75
None
NAD  A 242 (-3.5A)
NAD  A 242 ( 4.9A)
NAD  A 242 (-4.1A)
None
1.08A 2aclE-2dc1A:
undetectable
2aclE-2dc1A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ebd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3


(Aquifex
aeolicus)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
5 ILE A 174
ALA A 176
LEU A 292
ALA A 223
ILE A   5
None
1.07A 2aclE-2ebdA:
undetectable
2aclE-2ebdA:
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.
2fow RIBOSOMAL PROTEIN
L11


(Geobacillus
stearothermophilus)
PF00298
(Ribosomal_L11)
5 ILE A  56
ALA A  58
ALA A  59
LEU A  51
ALA A  54
None
1.07A 2aclE-2fowA:
undetectable
2aclE-2fowA:
16.89
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 LEU A  88
PHE A  92
ARG A  95
ALA A 106
ILE A 124
CYH A 211
None
0.94A 2aclE-2gl8A:
27.7
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.
2hk3 DIPHOSPHOMEVALONATE
DECARBOXYLASE


(Staphylococcus
aureus)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
5 ILE A 323
ALA A 112
ALA A 115
LEU A 134
ALA A 142
None
1.07A 2aclE-2hk3A:
undetectable
2aclE-2hk3A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
0.98A 2aclE-2iu3A:
undetectable
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.
2mxa NDH-1 COMPLEX
SENSORY SUBUNIT CUPS


(Thermosynechococcus
elongatus)
PF02469
(Fasciclin)
5 ILE A 123
ALA A 114
ALA A 113
ASN A  42
ALA A  79
None
1.12A 2aclE-2mxaA:
undetectable
2aclE-2mxaA:
22.08
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.
2nty RAC-LIKE GTP-BINDING
PROTEIN ARAC5


(Arabidopsis
thaliana)
PF00071
(Ras)
5 ILE C  82
ALA C 173
ALA C 172
ASN C 165
PHE C 170
None
1.11A 2aclE-2ntyC:
undetectable
2aclE-2ntyC:
20.15
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.
2nty RAC-LIKE GTP-BINDING
PROTEIN ARAC5


(Arabidopsis
thaliana)
PF00071
(Ras)
5 ILE C  82
ALA C 173
ALA C 172
PHE C 170
CYH C 158
None
1.03A 2aclE-2ntyC:
undetectable
2aclE-2ntyC:
20.15
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.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG


(Mycobacterium
tuberculosis)
PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred)
5 ILE A 661
ALA A 664
ALA A 665
LEU A 704
ALA A 644
None
0.92A 2aclE-2pziA:
undetectable
2aclE-2pziA:
16.81
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.
2q5c NTRC FAMILY
TRANSCRIPTIONAL
REGULATOR


(Clostridium
acetobutylicum)
PF06506
(PrpR_N)
5 ILE A 175
ALA A 178
ASN A  26
LEU A   3
ALA A  52
None
1.01A 2aclE-2q5cA:
undetectable
2aclE-2q5cA:
22.89
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
0.88A 2aclE-2q60A:
28.1
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.
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
1.08A 2aclE-2qz6A:
undetectable
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.
2vhh CG3027-PA

(Drosophila
melanogaster)
PF00795
(CN_hydrolase)
5 ILE A 105
ALA A 108
ALA A 109
ASN A 160
ILE A 185
None
1.10A 2aclE-2vhhA:
undetectable
2aclE-2vhhA:
20.30
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.
2vjt ALLOPHYCOCYANIN BETA
SUBUNIT


(Gloeobacter
violaceus)
PF00502
(Phycobilisome)
5 ILE B  52
ALA B  55
ALA B  56
LEU B  60
ALA B 132
None
None
None
CYC  B1081 (-4.7A)
None
1.11A 2aclE-2vjtB:
3.2
2aclE-2vjtB:
24.20
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.
2w37 ORNITHINE
CARBAMOYLTRANSFERASE
, CATABOLIC


(Lactobacillus
hilgardii)
PF00185
(OTCace)
PF02729
(OTCace_N)
6 ILE A 183
ALA A 182
ALA A 206
ASN A 175
LEU A 178
ALA A 215
None
1.48A 2aclE-2w37A:
undetectable
2aclE-2w37A:
23.03
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.
2x0f WSAF

(Geobacillus
stearothermophilus)
no annotation 5 ILE A 168
ALA A 138
ASN A  50
LEU A  52
ALA A 140
None
1.11A 2aclE-2x0fA:
undetectable
2aclE-2x0fA:
21.86
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.
3a5v ALPHA-GALACTOSIDASE

(Umbelopsis
vinacea)
PF16499
(Melibiase_2)
5 ILE A  28
ALA A  31
ALA A  32
LEU A  88
ILE A  76
None
0.85A 2aclE-3a5vA:
undetectable
2aclE-3a5vA:
20.20
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)
9 ALA A 271
ALA A 272
GLN A 275
ASN A 306
LEU A 309
PHE A 313
ARG A 316
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 ( 4.9A)
9CR  A7223 (-3.8A)
0.84A 2aclE-3dzuA:
29.9
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)
10 ILE A 268
ALA A 271
ALA A 272
GLN A 275
LEU A 309
PHE A 313
ARG A 316
ALA A 327
ILE A 345
CYH A 432
9CR  A7223 (-3.9A)
9CR  A7223 (-3.5A)
9CR  A7223 (-4.2A)
9CR  A7223 (-4.6A)
9CR  A7223 ( 4.4A)
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
9CR  A7223 ( 4.7A)
9CR  A7223 ( 4.9A)
9CR  A7223 (-3.8A)
0.87A 2aclE-3dzuA:
29.9
2aclE-3dzuA:
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.
3e35 UNCHARACTERIZED
PROTEIN SCO1997


(Streptomyces
coelicolor)
PF09754
(PAC2)
5 ILE A 224
ALA A 227
ALA A 226
ARG A 136
ILE A 235
None
1.11A 2aclE-3e35A:
undetectable
2aclE-3e35A:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewb 2-ISOPROPYLMALATE
SYNTHASE


(Listeria
monocytogenes)
PF00682
(HMGL-like)
5 ILE X   4
ALA X 221
ALA X 199
ALA X 216
ILE X 260
None
1.07A 2aclE-3ewbX:
undetectable
2aclE-3ewbX:
23.47
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
0.94A 2aclE-3eybA:
27.8
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.
3f4n PYRIDOXINE
5'-PHOSPHATE
SYNTHASE


(Yersinia pestis)
PF03740
(PdxJ)
5 ILE A 141
ALA A 143
ALA A 144
LEU A 132
ALA A 110
None
1.08A 2aclE-3f4nA:
undetectable
2aclE-3f4nA:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ic6 PUTATIVE METHYLASE
FAMILY PROTEIN


(Neisseria
gonorrhoeae)
PF00588
(SpoU_methylase)
5 ILE A  28
ALA A  31
ALA A  32
ASN A  89
ILE A  92
None
1.06A 2aclE-3ic6A:
undetectable
2aclE-3ic6A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ius UNCHARACTERIZED
CONSERVED PROTEIN


(Ruegeria
pomeroyi)
no annotation 5 ILE A 216
ALA A 219
ALA A 220
GLN A 223
LEU A 225
None
1.02A 2aclE-3iusA:
undetectable
2aclE-3iusA:
20.47
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.
3j0l RIBOSOMAL PROTEIN
S14


(Oryctolagus
cuniculus)
PF00411
(Ribosomal_S11)
5 ILE K  42
ALA K  77
ALA K  74
GLN K  76
ILE K  95
None
1.07A 2aclE-3j0lK:
undetectable
2aclE-3j0lK:
24.14
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.
3kf8 PROTEIN STN1

(Candida
tropicalis)
PF10451
(Stn1)
5 ALA A  40
GLN A  39
LEU A  36
PHE A  37
ILE A  63
None
1.09A 2aclE-3kf8A:
undetectable
2aclE-3kf8A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3klj NAD(FAD)-DEPENDENT
DEHYDROGENASE,
NIRB-FAMILY
(N-TERMINAL DOMAIN)


(Clostridium
acetobutylicum)
PF07992
(Pyr_redox_2)
6 ILE A 160
ALA A 166
ALA A 156
ASN A  46
LEU A 155
ALA A 143
None
1.47A 2aclE-3kljA:
undetectable
2aclE-3kljA:
21.30
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.
3lqy PUTATIVE
ISOCHORISMATASE
HYDROLASE


(Oleispira
antarctica)
PF00857
(Isochorismatase)
5 ALA A 146
ALA A  35
GLN A  38
ALA A 182
ILE A  77
None
1.05A 2aclE-3lqyA:
undetectable
2aclE-3lqyA:
20.76
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.
3mr7 ADENYLATE/GUANYLATE
CYCLASE/HYDROLASE,
ALPHA/BETA FOLD
FAMILY


(Ruegeria
pomeroyi)
PF00211
(Guanylate_cyc)
5 ALA A  66
ALA A  67
LEU A   8
ALA A  45
ILE A 102
None
1.04A 2aclE-3mr7A:
undetectable
2aclE-3mr7A:
21.18
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.
3nvt 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE SYNTHASE


(Listeria
monocytogenes)
PF00793
(DAHP_synth_1)
PF01817
(CM_2)
5 ILE A 248
ALA A 245
ALA A 244
ASN A 211
ILE A 195
None
1.11A 2aclE-3nvtA:
undetectable
2aclE-3nvtA:
22.63
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.
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
0.98A 2aclE-3wiqA:
undetectable
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
0.91A 2aclE-3wiqA:
undetectable
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.
3zyv AOX3

(Mus musculus)
PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C)
5 ILE A 333
ALA A 336
GLN A 340
LEU A 368
ALA A 427
None
0.54A 2aclE-3zyvA:
undetectable
2aclE-3zyvA:
10.19
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.
4b7x PROBABLE
OXIDOREDUCTASE


(Pseudomonas
aeruginosa)
PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2)
5 ILE A 178
ALA A 179
ALA A 157
ILE A 217
CYH A 213
None
NAP  A 400 (-3.7A)
None
None
None
1.06A 2aclE-4b7xA:
undetectable
2aclE-4b7xA:
21.79
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.
4dpy MEVALONATE
DIPHOSPHATE
DECARBOXYLASE


(Staphylococcus
epidermidis)
PF00288
(GHMP_kinases_N)
5 ILE A 146
ALA A 116
ALA A 115
LEU A 114
ALA A   7
None
1.09A 2aclE-4dpyA:
undetectable
2aclE-4dpyA:
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.
4g0o PROTEIN ARGONAUTE 5

(Arabidopsis
thaliana)
PF02171
(Piwi)
5 ILE A 629
ALA A 633
ALA A 611
ILE A 653
CYH A 657
None
1.08A 2aclE-4g0oA:
undetectable
2aclE-4g0oA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g0y PROTEIN ARGONAUTE 1

(Arabidopsis
thaliana)
PF02171
(Piwi)
5 ILE A 610
ALA A 650
GLN A 654
ILE A 704
CYH A 698
None
1.13A 2aclE-4g0yA:
undetectable
2aclE-4g0yA:
20.00
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 11 ILE D 268
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
0.80A 2aclE-4j5xD:
28.3
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.
4jlw GLUTATHIONE-INDEPEND
ENT FORMALDEHYDE
DEHYDROGENASE


(Pseudomonas
aeruginosa)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 ILE A 171
ALA A 201
ASN A 345
LEU A 348
ALA A 204
None
1.11A 2aclE-4jlwA:
undetectable
2aclE-4jlwA:
20.24
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.
4m9a ACYL-COA
DEHYDROGENASE


(Burkholderia
thailandensis)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
5 ILE A 244
ALA A 316
ALA A 319
GLN A 318
LEU A 298
None
1.10A 2aclE-4m9aA:
undetectable
2aclE-4m9aA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n5f PUTATIVE ACYL-COA
DEHYDROGENASE


(Burkholderia
cenocepacia)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
5 ILE A 244
ALA A 316
ALA A 319
GLN A 318
LEU A 298
None
1.09A 2aclE-4n5fA:
undetectable
2aclE-4n5fA:
19.58
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.
4nn1 TRANSCRIPTIONAL
REGULATOR


(Mycobacterium
tuberculosis)
PF00440
(TetR_N)
5 ILE A  12
ALA A  15
ALA A  16
GLN A  19
ALA A  35
None
0.58A 2aclE-4nn1A:
undetectable
2aclE-4nn1A:
26.39
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.
4o5a LACI FAMILY
TRANSCRIPTION
REGULATOR


(Bifidobacterium
animalis)
PF13377
(Peripla_BP_3)
5 ALA A 309
ALA A 308
GLN A 310
LEU A 307
ALA A  95
None
None
SO4  A 404 (-3.4A)
None
None
1.04A 2aclE-4o5aA:
undetectable
2aclE-4o5aA:
21.90
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.
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
1.04A 2aclE-4qjiA:
undetectable
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.
4tkx LYS-GINGIPAIN W83

(Porphyromonas
gingivalis)
PF01364
(Peptidase_C25)
PF03785
(Peptidase_C25_C)
5 ALA L 564
ALA L 563
LEU L 562
ALA L 578
ILE L 473
None
1.05A 2aclE-4tkxL:
undetectable
2aclE-4tkxL:
18.81
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.
4tr2 SUBTILISIN-LIKE 1
SERINE PROTEASE


(Plasmodium
vivax)
PF00082
(Peptidase_S8)
5 ILE A 558
ALA A 581
ASN A 605
LEU A 606
ILE A 302
None
1.03A 2aclE-4tr2A:
undetectable
2aclE-4tr2A:
17.73
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.
4utg SUGAR KINASE

(Burkholderia
pseudomallei)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
5 ALA A  10
ALA A  43
LEU A 122
ALA A 167
ILE A  47
None
1.09A 2aclE-4utgA:
undetectable
2aclE-4utgA:
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.
4ynv ACL4

(Chaetomium
thermophilum)
PF13432
(TPR_16)
5 ILE A  46
ALA A  49
ALA A  50
LEU A  74
ALA A  37
None
0.85A 2aclE-4ynvA:
undetectable
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.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus)
PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C)
5 ILE A 237
ALA A 240
ALA A 241
LEU A 263
ALA A 309
None
1.08A 2aclE-5a3yA:
undetectable
2aclE-5a3yA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dm6 50S RIBOSOMAL
PROTEIN L1


(Deinococcus
radiodurans)
PF00687
(Ribosomal_L1)
5 ILE 0  18
ALA 0  21
ALA 0  22
ASN 0 180
LEU 0 181
None
0.87A 2aclE-5dm60:
undetectable
2aclE-5dm60:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN


(Bacteroides
thetaiotaomicron)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
5 ILE B 777
ALA B 769
GLN B 767
ASN B 780
ILE B 855
None
1.12A 2aclE-5fq6B:
undetectable
2aclE-5fq6B:
13.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus)
PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C)
5 ILE A 237
ALA A 240
ALA A 241
LEU A 263
ALA A 309
None
1.09A 2aclE-5fxnA:
undetectable
2aclE-5fxnA:
20.67
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.
5hra ASPARTATE/GLUTAMATE
RACEMASE


(Escherichia
coli)
PF01177
(Asp_Glu_race)
6 ILE A 182
ALA A 186
ALA A 190
GLN A 188
LEU A 147
ILE A 200
None
1.20A 2aclE-5hraA:
undetectable
2aclE-5hraA:
23.35
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.
5jbw 3-HYDROXYBUTYRYL-COA
DEHYDRATASE


(Myxococcus
xanthus)
PF00378
(ECH_1)
5 ILE A 102
ALA A 101
ALA A 100
ALA A 190
ILE A 166
None
1.10A 2aclE-5jbwA:
undetectable
2aclE-5jbwA:
26.32
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.
5l6m RIBONUCLEASE VAPC

(Caulobacter
vibrioides)
PF01850
(PIN)
5 ILE B  82
ALA B 100
ALA B  99
GLN B 101
ALA B  75
None
1.02A 2aclE-5l6mB:
undetectable
2aclE-5l6mB:
18.91
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.
5maw FLAGELLAR PROTEIN
FLIS


(Bacillus
subtilis)
no annotation 5 ILE E  35
ALA E  39
ALA E  38
GLN E  40
ILE E  60
None
1.11A 2aclE-5mawE:
undetectable
2aclE-5mawE:
25.83
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.
5mg5 HYDROXYMETHYLGLUTARY
L-COA SYNTHASE


(Pseudomonas
protegens)
no annotation 5 ALA A 164
ALA A  13
LEU A 329
ALA A 278
ILE A 174
None
1.06A 2aclE-5mg5A:
undetectable
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
0.96A 2aclE-5mzaA:
undetectable
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.
5n0g PRECORRIN-8X
METHYLMUTASE


(Rhodobacter
capsulatus)
no annotation 5 ILE A 196
ALA A  44
ALA A  43
ASN A 202
ILE A 160
None
None
8F5  A 301 ( 4.1A)
8F5  A 301 (-3.8A)
None
1.11A 2aclE-5n0gA:
undetectable
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.
5ojl IMINE REDUCTASE

(Aspergillus
terreus)
no annotation 6 ILE A 137
ALA A 135
ALA A 125
ALA A 132
ILE A  68
CYH A  70
None
None
9X5  A 301 ( 4.8A)
None
None
None
1.22A 2aclE-5ojlA:
undetectable
2aclE-5ojlA:
13.22
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.
5txr 5-AMINOLEVULINATE
SYNTHASE,
MITOCHONDRIAL


(Saccharomyces
cerevisiae)
no annotation 5 ILE B 331
ALA B 347
ALA B 348
ALA B 168
ILE B 264
None
1.07A 2aclE-5txrB:
undetectable
2aclE-5txrB:
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.
5u2o J30 CCH

(Thermobacillus
composti)
no annotation 5 ILE A 200
ALA A 160
GLN A 161
LEU A 164
ALA A 530
None
1.12A 2aclE-5u2oA:
undetectable
2aclE-5u2oA:
15.07
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 10 ILE A 268
ALA A 271
ALA A 272
ASN A 306
LEU A 309
PHE A 313
ARG A 316
ALA A 327
ILE A 345
CYH A 432
9CR  A 503 (-4.0A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.5A)
None
9CR  A 503 (-3.7A)
9CR  A 503 (-4.7A)
9CR  A 503 (-3.0A)
9CR  A 503 (-3.4A)
None
9CR  A 503 (-3.3A)
0.69A 2aclE-5uanA:
29.6
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 10 ILE A 268
ALA A 271
ALA A 272
GLN A 275
ASN A 306
LEU A 309
PHE A 313
ARG A 316
ALA A 327
ILE A 345
9CR  A 503 (-4.0A)
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 (-3.4A)
None
0.65A 2aclE-5uanA:
29.6
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.
5uvm HISTIDINE TRIAD
(HIT) PROTEIN


(Ruminiclostridium
thermocellum)
PF11969
(DcpS_C)
5 ILE A  64
ALA A  67
ALA A  68
LEU A 103
ALA A  27
None
1.00A 2aclE-5uvmA:
undetectable
2aclE-5uvmA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v2m MEVALONATE
DIPHOSPHATE
DECARBOXYLASE


(Enterococcus
faecalis)
no annotation 5 ILE A 321
ALA A 111
ALA A 114
LEU A 133
ALA A 141
None
1.04A 2aclE-5v2mA:
undetectable
2aclE-5v2mA:
21.64
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.
5xnz CRED

(Streptomyces
cremeus)
no annotation 5 ILE A  54
ALA A  57
ALA A  58
LEU A  30
ALA A  89
None
0.96A 2aclE-5xnzA:
undetectable
2aclE-5xnzA:
15.97
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.
5xyi RIBOSOMAL PROTEIN
S14


(Trichomonas
vaginalis)
PF00411
(Ribosomal_S11)
5 ALA O  86
ALA O  85
GLN O  87
LEU O  84
ALA O 126
None
0.99A 2aclE-5xyiO:
undetectable
2aclE-5xyiO:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xym 50S RIBOSOMAL
PROTEIN L22


(Mycolicibacterium
smegmatis)
PF00237
(Ribosomal_L22)
5 ILE S  58
ALA S  61
ALA S  62
LEU S  76
ALA S  10
None
1.10A 2aclE-5xymS:
undetectable
2aclE-5xymS:
18.88
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.
5xym 50S RIBOSOMAL
PROTEIN L22


(Mycolicibacterium
smegmatis)
PF00237
(Ribosomal_L22)
5 ILE S  58
ALA S  61
ALA S  62
LEU S  76
ILE S  42
None
0.74A 2aclE-5xymS:
undetectable
2aclE-5xymS:
18.88
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.
6bma INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE


(Campylobacter
jejuni)
no annotation 5 ILE A 184
ALA A 182
LEU A 140
ALA A 177
ILE A  54
None
1.03A 2aclE-6bmaA:
undetectable
2aclE-6bmaA:
25.27
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.
6cbo C-6'
AMINOTRANSFERASE


(Micromonospora
echinospora)
no annotation 5 ILE A  45
ALA A  34
PHE A 353
ALA A 352
ILE A 365
None
1.06A 2aclE-6cboA:
undetectable
2aclE-6cboA:
17.96
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.
6d6j HIT FAMILY HYDROLASE

(Legionella
pneumophila)
no annotation 5 ILE A  63
ALA A  67
LEU A 102
ALA A  26
ILE A  49
None
1.11A 2aclE-6d6jA:
undetectable
2aclE-6d6jA:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d95 -

(-)
no annotation 5 ILE A 129
ALA A 132
ALA A 133
ALA A 266
ILE A 180
None
1.02A 2aclE-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 ILE A 129
ALA A 132
ALA A 133
LEU A 138
ALA A 266
None
0.90A 2aclE-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.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE


(Methanothermococcus
thermolithotrophicus)
no annotation 5 ILE A  26
ALA A  29
ALA A 215
GLN A  11
ILE A  63
None
1.09A 2aclE-6et9A:
undetectable
2aclE-6et9A:
20.30
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.
6gdg TRXA,ADENOSINE
RECEPTOR A2A


(Escherichia
coli;
Homo sapiens)
no annotation 5 ILE A 200
ALA A 203
ALA A 204
GLN A 207
ILE A 238
None
0.98A 2aclE-6gdgA:
undetectable
2aclE-6gdgA:
14.16