SIMILAR PATTERNS OF AMINO ACIDS FOR 5DWK_C_ACTC207

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.
1apy ASPARTYLGLUCOSAMINID
ASE

(Homo sapiens) 		PF01112
(Asparaginase_2) 		4 ALA A  66
GLU A  42
ASN A  87
GLU A  35
 None
 1.49A 5dwkC-1apyA:
undetectable		 5dwkC-1apyA:
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.
1b9h PROTEIN
(3-AMINO-5-HYDROXYBE
NZOIC ACID SYNTHASE)

(Amycolatopsis
mediterranei) 		PF01041
(DegT_DnrJ_EryC1) 		4 ALA A  58
GLU A  44
ASN A  41
GLU A 239
 None
 1.35A 5dwkC-1b9hA:
undetectable		 5dwkC-1b9hA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ct5 PROTEIN (YEAST
HYPOTHETICAL
PROTEIN, SELENOMET)

(Saccharomyces
cerevisiae) 		PF01168
(Ala_racemase_N) 		4 GLU A 237
ALA A 236
ASN A 178
GLU A 112
 None
 1.38A 5dwkC-1ct5A:
undetectable		 5dwkC-1ct5A:
19.29
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.
1dgs DNA LIGASE

(Thermus
filiformis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		4 GLU A  98
ALA A 107
GLU A 102
GLU A 262
 None
 1.49A 5dwkC-1dgsA:
2.4		 5dwkC-1dgsA:
11.18
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.
1fch PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF13374
(TPR_10)
PF13432
(TPR_16) 		4 GLU A 346
ALA A 343
GLU A 348
ASN A 378
 None
 0.93A 5dwkC-1fchA:
undetectable		 5dwkC-1fchA:
15.76
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.
1hxj BETA-GLUCOSIDASE

(Zea mays) 		PF00232
(Glyco_hydro_1) 		4 GLU A 459
ALA A 462
GLU A 466
ASN A 371
 None
 0.96A 5dwkC-1hxjA:
undetectable		 5dwkC-1hxjA:
14.13
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		4 ALA A 340
GLU A 222
ASN A 220
GLU A 194
 None
None
CL  A2014 ( 4.3A)
None
 1.39A 5dwkC-1itkA:
undetectable		 5dwkC-1itkA:
9.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kbz DTDP-GLUCOSE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF04321
(RmlD_sub_bind) 		4 GLU A 190
ALA A 156
GLU A  15
GLU A 292
 None
None
MG  A 501 ( 4.0A)
MG  A 501 ( 4.0A)
 1.46A 5dwkC-1kbzA:
undetectable		 5dwkC-1kbzA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m68 HYPOTHETICAL PROTEIN
YCDX

(Escherichia
coli) 		PF02811
(PHP) 		4 GLU A 203
GLU A 204
ASN A 159
GLU A 201
 None
 1.41A 5dwkC-1m68A:
undetectable		 5dwkC-1m68A:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1npc NEUTRAL PROTEASE

(Bacillus cereus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 GLU A 191
ALA A 202
GLU A 188
GLU A 178
 CA  A 319 ( 2.3A)
None
None
CA  A 319 ( 2.5A)
 1.24A 5dwkC-1npcA:
undetectable		 5dwkC-1npcA:
18.24
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.
1o9i MANGANESE CATALASE

(Lactobacillus
plantarum) 		PF05067
(Mn_catalase) 		4 GLU A 148
ALA A 151
GLU A 178
GLU A  66
 MN3  A 268 ( 2.7A)
None
None
MN3  A 267 (-2.6A)
 1.09A 5dwkC-1o9iA:
2.9		 5dwkC-1o9iA:
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.
1pdz ENOLASE

(Homarus
gammarus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 GLU A 209
ALA A 398
ASN A 153
GLU A 166
 PGA  A 439 (-3.9A)
None
None
PGA  A 439 ( 4.7A)
 1.30A 5dwkC-1pdzA:
1.1		 5dwkC-1pdzA:
16.15
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.
1ru3 ACETYL-COA SYNTHASE

(Carboxydothermus
hydrogenoformans) 		PF03598
(CdhC) 		4 GLU A 117
ALA A 118
GLU A 114
ASN A 223
 None
 1.07A 5dwkC-1ru3A:
2.7		 5dwkC-1ru3A:
10.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sp8 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Zea mays) 		PF00903
(Glyoxalase) 		4 ALA A 228
GLU A 276
ASN A 259
GLU A 245
 None
 1.36A 5dwkC-1sp8A:
undetectable		 5dwkC-1sp8A:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2

(Carboxydothermus
hydrogenoformans) 		PF03063
(Prismane) 		4 GLU A 189
ALA A 184
GLU A 156
GLU A 192
 None
 1.36A 5dwkC-1su7A:
2.9		 5dwkC-1su7A:
15.27
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.
1v6a L-LACTATE
DEHYDROGENASE A
CHAIN

(Cyprinus carpio) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 GLU A 321
ALA A 320
GLU A 285
ASN A 284
 None
 0.84A 5dwkC-1v6aA:
undetectable		 5dwkC-1v6aA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vlv ORNITHINE
CARBAMOYLTRANSFERASE

(Thermotoga
maritima) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 GLU A  71
ALA A  67
GLU A  70
ASN A  35
 None
 1.34A 5dwkC-1vlvA:
undetectable		 5dwkC-1vlvA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yx1 HYPOTHETICAL PROTEIN
PA2260

(Pseudomonas
aeruginosa) 		PF01261
(AP_endonuc_2) 		4 GLU A 228
ALA A 226
GLU A  39
GLU A 129
 None
 1.22A 5dwkC-1yx1A:
undetectable		 5dwkC-1yx1A:
17.74
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.
2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF00515
(TPR_1)
PF13432
(TPR_16) 		4 GLU A 383
ALA A 380
GLU A 385
ASN A 415
 None
 0.95A 5dwkC-2c0lA:
undetectable		 5dwkC-2c0lA:
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.
2epk N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
gordonii) 		PF00728
(Glyco_hydro_20) 		4 GLU X 368
ALA X 332
ASN X 219
GLU X 120
 None
 1.46A 5dwkC-2epkX:
4.1		 5dwkC-2epkX:
12.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g0w LMO2234 PROTEIN

(Listeria
monocytogenes) 		PF01261
(AP_endonuc_2) 		4 GLU A 248
GLU A  74
ASN A 111
GLU A 142
 MG  A 501 (-2.8A)
None
None
MG  A 501 (-2.5A)
 1.32A 5dwkC-2g0wA:
undetectable		 5dwkC-2g0wA:
20.95
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.
2jsw TALIN-1

(Mus musculus) 		PF01608
(I_LWEQ) 		4 GLU A2342
ALA A2330
GLU A2343
ASN A2340
 None
 1.16A 5dwkC-2jswA:
4.5		 5dwkC-2jswA:
22.75
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.
2n6j ZINC METALLOPROTEASE
ZMP1

(Clostridioides
difficile) 		PF07737
(ATLF) 		4 ALA A 192
GLU A 189
ASN A 175
GLU A 185
 None
None
None
ZN  A 301 (-1.5A)
 1.21A 5dwkC-2n6jA:
undetectable		 5dwkC-2n6jA:
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.
2nn6 EXOSOME COMPLEX
EXONUCLEASE RRP43

(Homo sapiens) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 GLU C 214
ALA C 199
GLU C 215
ASN C 147
 None
 1.44A 5dwkC-2nn6C:
undetectable		 5dwkC-2nn6C:
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.
2pa6 ENOLASE

(Methanocaldococcus
jannaschii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 GLU A 213
ALA A 393
ASN A 157
GLU A 170
 None
 1.31A 5dwkC-2pa6A:
undetectable		 5dwkC-2pa6A:
14.90
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.
2qw5 XYLOSE
ISOMERASE-LIKE TIM
BARREL

(Trichormus
variabilis) 		PF01261
(AP_endonuc_2) 		4 ALA A 278
GLU A  48
ASN A  86
GLU A 182
 None
None
XLS  A 401 (-3.2A)
ZN  A 400 ( 2.7A)
 1.48A 5dwkC-2qw5A:
undetectable		 5dwkC-2qw5A:
17.31
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.
2vzb PUTATIVE
BACTERIOFERRITIN-REL
ATED PROTEIN

(Bacteroides
fragilis) 		PF00210
(Ferritin) 		4 GLU A  29
ALA A  25
GLU A  28
GLU A 146
 FE  A6204 (-1.9A)
None
None
FE  A6204 ( 2.5A)
 1.09A 5dwkC-2vzbA:
3.4		 5dwkC-2vzbA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		4 GLU A 172
ALA A 168
GLU A 126
GLU A 229
 None
 1.31A 5dwkC-2w9mA:
undetectable		 5dwkC-2w9mA:
13.32
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		4 GLU A 172
ALA A 168
GLU A 171
GLU A 129
 None
 1.43A 5dwkC-2w9mA:
undetectable		 5dwkC-2w9mA:
13.32
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.
2x12 FIMBRIAE-ASSOCIATED
PROTEIN FAP1

(Streptococcus
parasanguinis) 		no annotation 4 GLU A 344
ALA A 382
GLU A 392
ASN A 413
 None
 1.25A 5dwkC-2x12A:
undetectable		 5dwkC-2x12A:
17.34
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.
2ywa HYPOTHETICAL PROTEIN
TTHA0048

(Thermus
thermophilus) 		PF08780
(NTase_sub_bind) 		4 GLU A  91
ALA A  94
GLU A  95
GLU A  21
 None
 1.11A 5dwkC-2ywaA:
2.6		 5dwkC-2ywaA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dxs COPPER-TRANSPORTING
ATPASE RAN1

(Arabidopsis
thaliana) 		PF00403
(HMA) 		4 GLU X  61
ALA X  67
GLU X  68
GLU X  54
 None
 1.44A 5dwkC-3dxsX:
undetectable		 5dwkC-3dxsX:
20.31
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.
3fkr L-2-KETO-3-DEOXYARAB
ONATE DEHYDRATASE

(Azospirillum
brasilense) 		PF00701
(DHDPS) 		4 GLU A 210
ALA A 156
GLU A 184
GLU A 211
 PO4  A 404 (-4.6A)
None
NA  A 409 ( 2.1A)
NA  A 409 ( 4.9A)
 1.30A 5dwkC-3fkrA:
undetectable		 5dwkC-3fkrA:
17.74
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		4 GLU M 114
ALA M 115
GLU M 111
ASN M 220
 None
 1.02A 5dwkC-3i04M:
undetectable		 5dwkC-3i04M:
10.80
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		4 GLU A 468
ALA A 465
GLU A 177
ASN A 242
 None
 1.25A 5dwkC-3i5gA:
2.9		 5dwkC-3i5gA:
10.45
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.
3k70 EXODEOXYRIBONUCLEASE
V ALPHA CHAIN

(Escherichia
coli) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30) 		4 GLU D  74
ALA D  69
GLU D  62
ASN D  60
 None
 1.28A 5dwkC-3k70D:
undetectable		 5dwkC-3k70D:
11.21
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.
3mbr GLUTAMINE
CYCLOTRANSFERASE

(Xanthomonas
campestris) 		PF05096
(Glu_cyclase_2) 		4 ALA X  89
GLU X  45
ASN X 228
GLU X 175
 None
None
None
CA  X 300 (-2.9A)
 1.04A 5dwkC-3mbrX:
undetectable		 5dwkC-3mbrX:
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.
3n2x UNCHARACTERIZED
PROTEIN YAGE

(Escherichia
coli) 		PF00701
(DHDPS) 		4 GLU A  99
ALA A  65
GLU A  96
ASN A  93
 None
 1.24A 5dwkC-3n2xA:
undetectable		 5dwkC-3n2xA:
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.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		4 GLU A 174
ALA A 175
GLU A 172
GLU A  12
 4CT  A 233 (-3.0A)
None
None
4CT  A 233 ( 4.0A)
 1.49A 5dwkC-3o4vA:
undetectable		 5dwkC-3o4vA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tgw V-TYPE ATP SYNTHASE
BETA CHAIN

(Methanosarcina
mazei) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 GLU A 408
ALA A 404
ASN A 342
GLU A 331
 None
 1.21A 5dwkC-3tgwA:
undetectable		 5dwkC-3tgwA:
15.35
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.
3tij NUPC FAMILY PROTEIN

(Vibrio cholerae) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		4 GLU A 172
ALA A 175
GLU A 142
GLU A 223
 None
 1.49A 5dwkC-3tijA:
2.3		 5dwkC-3tijA:
16.47
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.
3wfz LACTO-N-BIOSE
PHOSPHORYLASE

(Bifidobacterium
longum) 		PF09508
(Lact_bio_phlase)
PF17385
(LBP_M)
PF17386
(LBP_C) 		4 ALA A 677
GLU A 705
ASN A 720
GLU A 703
 None
 1.44A 5dwkC-3wfzA:
undetectable		 5dwkC-3wfzA:
11.74
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.
4ads PYRIDOXINE
BIOSYNTHETIC ENZYME
PDX1 HOMOLOGUE,
PUTATIVE

(Plasmodium
berghei) 		PF01680
(SOR_SNZ) 		4 GLU A 162
ALA A 284
GLU A 154
ASN A 159
 None
 1.45A 5dwkC-4adsA:
undetectable		 5dwkC-4adsA:
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.
4bit CEREBRAL DOPAMINE
NEUROTROPHIC FACTOR

(Homo sapiens) 		PF10208
(Armet) 		4 ALA A   3
GLU A   2
ASN A  19
GLU A  16
 None
 1.45A 5dwkC-4bitA:
undetectable		 5dwkC-4bitA:
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.
4biz SENSOR PROTEIN CPXA

(Escherichia
coli) 		PF00512
(HisKA)
PF00672
(HAMP)
PF02518
(HATPase_c) 		4 GLU A 351
GLU A 316
ASN A 320
GLU A 355
 None
 1.36A 5dwkC-4bizA:
5.5		 5dwkC-4bizA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bt1 TRANSCRIPTIONAL
REGULATOR

(Escherichia
virus Mu) 		PF00158
(Sigma54_activat) 		4 GLU B 242
ALA B 197
GLU B 239
ASN B 280
 None
 1.20A 5dwkC-4bt1B:
undetectable		 5dwkC-4bt1B:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fo7 METHIONINE
AMINOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF00557
(Peptidase_M24) 		4 GLU A  23
ALA A  22
GLU A  26
ASN A 251
 None
 1.44A 5dwkC-4fo7A:
undetectable		 5dwkC-4fo7A:
19.29
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.
4fsp PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 GLU A 342
ALA A 297
GLU A 298
ASN A 169
 None
 1.32A 5dwkC-4fspA:
undetectable		 5dwkC-4fspA:
16.62
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.
4g56 MGC81050 PROTEIN

(Xenopus laevis) 		PF00400
(WD40) 		4 GLU B  70
ALA B  92
GLU B  94
ASN B 107
 None
 1.35A 5dwkC-4g56B:
undetectable		 5dwkC-4g56B:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g7f ENOLASE

(Trypanosoma
cruzi) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 GLU A 208
ALA A 397
ASN A 152
GLU A 165
 None
None
None
MG  A 501 ( 4.7A)
 1.23A 5dwkC-4g7fA:
undetectable		 5dwkC-4g7fA:
15.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hgx XYLOSE ISOMERASE
DOMAIN CONTAINING
PROTEIN

(Salmonella
enterica) 		PF01261
(AP_endonuc_2) 		4 GLU A 245
ALA A 243
GLU A  37
GLU A 139
 ZN  A 301 (-2.1A)
None
None
ZN  A 301 (-2.4A)
 0.91A 5dwkC-4hgxA:
undetectable		 5dwkC-4hgxA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kn5 METHYLTHIOADENOSINE
NUCLEOSIDASE

(Weissella
paramesenteroides) 		PF01048
(PNP_UDP_1) 		4 GLU A 175
ALA A   8
ASN A  73
GLU A 173
 None
 1.38A 5dwkC-4kn5A:
undetectable		 5dwkC-4kn5A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 GLU A 360
ALA A 358
GLU A 394
GLU A 416
 BES  A1017 (-2.9A)
BES  A1017 (-4.6A)
BES  A1017 (-3.1A)
ZN  A1001 ( 2.4A)
 1.36A 5dwkC-4kxbA:
undetectable		 5dwkC-4kxbA:
9.23
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.
4m88 EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Verminephrobacter
eiseniae) 		PF13458
(Peripla_BP_6) 		4 ALA A 233
GLU A 280
ASN A 257
GLU A 283
 GOL  A 403 (-3.4A)
GOL  A 403 (-4.5A)
GOL  A 403 (-3.9A)
GOL  A 403 (-2.9A)
 1.49A 5dwkC-4m88A:
undetectable		 5dwkC-4m88A:
18.13
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.
4oe7 PROBABLE
2-KETO-3-DEOXY-GALAC
TONATE ALDOLASE YAGE

(Escherichia
coli) 		PF00701
(DHDPS) 		4 GLU A  99
ALA A  65
GLU A  96
ASN A  93
 None
 1.16A 5dwkC-4oe7A:
undetectable		 5dwkC-4oe7A:
20.73
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.
4ozq CHIMERA OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND KINESIN FAMILY
MEMBER 14 PROTEIN

(Escherichia
coli;
Mus musculus) 		PF00225
(Kinesin)
PF13416
(SBP_bac_8) 		4 GLU A 410
ALA A 412
GLU A 407
ASN A 719
 None
 1.45A 5dwkC-4ozqA:
undetectable		 5dwkC-4ozqA:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 GLU A 260
ALA A 258
GLU A 294
GLU A 316
 37B  A 901 (-2.2A)
37B  A 901 (-3.8A)
37B  A 901 (-2.6A)
ZN  A 908 ( 2.0A)
 1.44A 5dwkC-4qmeA:
undetectable		 5dwkC-4qmeA:
11.63
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.
4s0v HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		4 GLU A 373
ALA A 377
GLU A 374
ASN A  82
 None
 1.48A 5dwkC-4s0vA:
2.4		 5dwkC-4s0vA:
13.35
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.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 GLU A 333
ALA A 331
GLU A 367
GLU A 389
 ZN  A1001 ( 4.4A)
None
ZN  A1001 ( 4.3A)
ZN  A1001 (-2.4A)
 1.39A 5dwkC-4wz9A:
undetectable		 5dwkC-4wz9A:
9.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xh3 ACTIN-BINDING
PROTEIN ANILLIN

(Homo sapiens) 		PF08174
(Anillin) 		4 GLU A  45
ALA A  48
GLU A  49
ASN A 227
 None
 1.33A 5dwkC-4xh3A:
5.5		 5dwkC-4xh3A:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xoi ACTIN-BINDING
PROTEIN ANILLIN

(Homo sapiens) 		PF08174
(Anillin) 		4 GLU B  45
ALA B  48
GLU B  49
ASN B 227
 None
 1.27A 5dwkC-4xoiB:
5.6		 5dwkC-4xoiB:
19.16
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 GLU A 301
ALA A 363
GLU A 297
ASN A 318
 None
 1.48A 5dwkC-4xriA:
2.8		 5dwkC-4xriA:
9.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a0o ADHIRON

(synthetic
construct) 		PF16845
(SQAPI) 		4 ALA B  39
GLU B  37
ASN B   4
GLU B   7
 None
 1.45A 5dwkC-5a0oB:
undetectable		 5dwkC-5a0oB:
20.14
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		4 GLU A 255
GLU A  36
ASN A  69
GLU A 144
 None
 1.47A 5dwkC-5bwiA:
undetectable		 5dwkC-5bwiA:
14.35
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.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		4 GLU A 141
ALA A 139
GLU A 140
ASN A 107
 None
 1.37A 5dwkC-5cerA:
undetectable		 5dwkC-5cerA:
17.27
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.
5cwb DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 4 GLU A  66
ALA A  65
GLU A  69
GLU A   8
 None
 1.25A 5dwkC-5cwbA:
2.4		 5dwkC-5cwbA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fqd DNA DAMAGE-BINDING
PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		4 GLU A 943
ALA A 934
ASN A 941
GLU A 939
 None
 1.33A 5dwkC-5fqdA:
undetectable		 5dwkC-5fqdA:
11.08
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.
5fyq NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		4 GLU A 137
ALA A 133
GLU A 108
ASN A 106
 None
 1.23A 5dwkC-5fyqA:
undetectable		 5dwkC-5fyqA:
15.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h8k N-CARBAMOYLPUTRESCIN
E AMIDOHYDROLASE

(Medicago
truncatula) 		PF00795
(CN_hydrolase) 		4 ALA A 183
GLU A  48
ASN A 104
GLU A 132
 None
 1.46A 5dwkC-5h8kA:
undetectable		 5dwkC-5h8kA:
18.90
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.
5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III

(Methanococcoides
burtonii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 GLU A  53
ALA A  56
GLU A  57
ASN A  63
 None
 1.31A 5dwkC-5macA:
undetectable		 5dwkC-5macA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5me3 SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		4 GLU A1393
ALA A1392
GLU A1335
ASN A1333
 None
 1.43A 5dwkC-5me3A:
2.5		 5dwkC-5me3A:
7.83
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.
5mz9 -

(-) 		no annotation 4 ALA A 504
GLU A 151
ASN A 211
GLU A 224
 None
 1.17A 5dwkC-5mz9A:
undetectable		 5dwkC-5mz9A:
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		4 GLU T1638
ALA T1637
GLU T1641
ASN T1680
 None
 1.44A 5dwkC-5ojsT:
undetectable		 5dwkC-5ojsT:
3.05
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.
5swv PENTAFUNCTIONAL AROM
POLYPEPTIDE

(Schizosaccharomyces
pombe) 		PF01487
(DHquinase_I)
PF08501
(Shikimate_dh_N) 		4 GLU C1227
ALA C1191
GLU C1224
ASN C1220
 None
 1.15A 5dwkC-5swvC:
undetectable		 5dwkC-5swvC:
14.29
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.
6bj9 ACETYL-COA
ACETYLTRANSFERASE A

(Ascaris suum) 		no annotation 4 ALA A 343
GLU A 317
ASN A 338
GLU A 314
 None
 1.50A 5dwkC-6bj9A:
undetectable		 5dwkC-6bj9A:
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.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 4 GLU A 350
ALA A 348
GLU A 384
GLU A 406
 ILE  A1024 (-3.1A)
SO4  A1027 (-4.3A)
ILE  A1024 ( 4.1A)
ZN  A1035 ( 2.2A)
 1.35A 5dwkC-6bv2A:
undetectable		 5dwkC-6bv2A:
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.
6ekv TOXIN COMPLEX
COMPONENT ORF-X2

(Clostridium
botulinum) 		no annotation 4 GLU A 278
ALA A 348
GLU A 346
ASN A 279
 None
 1.03A 5dwkC-6ekvA:
undetectable		 5dwkC-6ekvA:
11.13