SIMILAR PATTERNS OF AMINO ACIDS FOR 4W5T_A_IPHA902

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.
1brl BACTERIAL LUCIFERASE

(Vibrio harveyi)
PF00296
(Bac_luciferase)
4 CYH A 325
ILE A 229
ILE A 311
ASP A 314
None
1.13A 4w5tA-1brlA:
undetectable
4w5tA-1brlA:
17.02
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.
1bt0 PROTEIN
(UBIQUITIN-LIKE
PROTEIN 7, RUB1)


(Arabidopsis
thaliana)
PF00240
(ubiquitin)
4 ILE A  44
GLN A  49
ILE A  23
ASP A  52
None
0.90A 4w5tA-1bt0A:
undetectable
4w5tA-1bt0A:
7.24
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.
1c9l CLATHRIN

(Rattus
norvegicus)
PF01394
(Clathrin_propel)
PF09268
(Clathrin-link)
4 ARG A  64
ILE A  66
GLN A  49
ILE A  62
None
1.09A 4w5tA-1c9lA:
0.0
4w5tA-1c9lA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)


(Escherichia
coli)
PF00709
(Adenylsucc_synt)
4 ILE A 133
GLN A 224
ILE A 230
ASP A 229
IMO  A 440 ( 4.4A)
IMO  A 440 (-3.6A)
None
None
1.00A 4w5tA-1cg4A:
0.0
4w5tA-1cg4A:
19.03
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.
1dtd METALLOCARBOXYPEPTID
ASE INHIBITOR


(Hirudo
medicinalis)
no annotation 4 ARG B  59
GLN B  57
ILE B  21
ASP B   6
None
0.99A 4w5tA-1dtdB:
0.0
4w5tA-1dtdB:
5.44
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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE


(Bacillus
subtilis)
PF02110
(HK)
4 ARG A 121
ILE A 120
ILE A 222
ASP A 172
None
1.17A 4w5tA-1ekqA:
0.0
4w5tA-1ekqA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1enf ENTEROTOXIN H

(Staphylococcus
aureus)
PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C)
4 ARG A 143
ILE A 140
GLN A  20
ILE A 152
None
1.03A 4w5tA-1enfA:
0.0
4w5tA-1enfA:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f0z THIS PROTEIN

(Escherichia
coli)
PF02597
(ThiS)
4 ILE A  40
GLN A  39
ILE A  57
ASP A  55
None
1.10A 4w5tA-1f0zA:
undetectable
4w5tA-1f0zA:
6.16
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.
1j1v CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA


(Escherichia
coli)
PF08299
(Bac_DnaA_C)
4 CYH A 441
ILE A 444
GLN A 408
ILE A 425
None
1.16A 4w5tA-1j1vA:
undetectable
4w5tA-1j1vA:
7.76
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.
1oyj GLUTATHIONE
S-TRANSFERASE


(Oryza sativa)
PF13410
(GST_C_2)
PF13417
(GST_N_3)
4 ARG A  20
CYH A  21
ILE A  23
GLN A  19
None
1.21A 4w5tA-1oyjA:
0.0
4w5tA-1oyjA:
12.68
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.
1pk0 CALMODULIN-SENSITIVE
ADENYLATE CYCLASE


(Bacillus
anthracis)
PF03497
(Anthrax_toxA)
4 ARG A 755
ILE A 756
GLN A 759
ILE A 654
None
1.02A 4w5tA-1pk0A:
undetectable
4w5tA-1pk0A:
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.
1q0z ACLACINOMYCIN
METHYLESTERASE


(Streptomyces
purpurascens)
PF00561
(Abhydrolase_1)
4 ARG A   4
ILE A   5
ILE A  55
ASP A  17
None
1.19A 4w5tA-1q0zA:
3.5
4w5tA-1q0zA:
15.08
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.
1sif UBIQUITIN

(Homo sapiens)
PF00240
(ubiquitin)
4 ILE A  44
GLN A  49
ILE A  23
ASP A  52
None
0.77A 4w5tA-1sifA:
undetectable
4w5tA-1sifA:
8.43
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.
1vol PROTEIN
(TRANSCRIPTION
FACTOR IIB (TFIIB))


(Homo sapiens)
PF00382
(TFIIB)
4 CYH A 194
ILE A 198
ILE A 186
ASP A 157
None
1.20A 4w5tA-1volA:
undetectable
4w5tA-1volA:
13.43
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.
1wst MULTIPLE SUBSTRATE
AMINOTRANSFERASE


(Thermococcus
profundus)
PF00155
(Aminotran_1_2)
4 ILE A 278
GLN A 281
ILE A 283
ASP A 284
None
1.10A 4w5tA-1wstA:
2.6
4w5tA-1wstA:
19.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2apn PROTEIN HI1723

(Haemophilus
influenzae)
PF01521
(Fe-S_biosyn)
4 ILE A  80
GLN A  77
ILE A  71
ASP A  72
None
1.16A 4w5tA-2apnA:
undetectable
4w5tA-2apnA:
9.76
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.
2id0 EXORIBONUCLEASE 2

(Escherichia
coli)
PF00575
(S1)
PF00773
(RNB)
PF08206
(OB_RNB)
4 CYH A 344
ILE A 343
GLN A 342
ILE A 384
None
1.15A 4w5tA-2id0A:
undetectable
4w5tA-2id0A:
22.41
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.
2inr DNA TOPOISOMERASE 4
SUBUNIT A


(Staphylococcus
aureus)
PF00521
(DNA_topoisoIV)
4 ILE A 188
GLN A 189
ILE A 195
ASP A 196
None
None
None
EDO  A 496 ( 3.1A)
1.10A 4w5tA-2inrA:
undetectable
4w5tA-2inrA:
19.88
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.
2jfe CYTOSOLIC
BETA-GLUCOSIDASE


(Homo sapiens)
PF00232
(Glyco_hydro_1)
4 CYH X 415
ILE X 371
GLN X 307
ILE X 115
None
1.13A 4w5tA-2jfeX:
undetectable
4w5tA-2jfeX:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzt HEXOKINASE-2

(Homo sapiens)
PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2)
4 ARG A 190
GLN A 194
ILE A 201
ASP A 200
None
1.15A 4w5tA-2nztA:
3.9
4w5tA-2nztA:
23.59
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.
2ool SENSOR PROTEIN

(Rhodopseudomonas
palustris)
PF01590
(GAF)
PF08446
(PAS_2)
4 CYH A 166
ILE A 168
GLN A 324
ILE A 286
None
1.12A 4w5tA-2oolA:
undetectable
4w5tA-2oolA:
17.94
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.
2pok PEPTIDASE,
M20/M25/M40 FAMILY


(Streptococcus
pneumoniae)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 ARG A 131
ILE A 446
ILE A 128
ASP A 124
None
None
None
MN  A 460 ( 4.8A)
1.20A 4w5tA-2pokA:
undetectable
4w5tA-2pokA:
20.09
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.
2pop MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE
7-INTERACTING
PROTEIN 1


(Homo sapiens)
PF00481
(PP2C)
4 CYH A 235
ILE A 233
GLN A 237
ILE A 266
None
1.21A 4w5tA-2popA:
undetectable
4w5tA-2popA:
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.
2qmu TRANSLATION
INITIATION FACTOR 2
BETA SUBUNIT


(Sulfolobus
solfataricus)
PF01873
(eIF-5_eIF-2B)
4 ARG C  56
CYH C  61
ILE C  60
ILE C  54
None
1.18A 4w5tA-2qmuC:
undetectable
4w5tA-2qmuC:
10.55
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.
2w38 SIALIDASE

(Pseudomonas
aeruginosa)
PF13088
(BNR_2)
4 ILE A 308
GLN A 300
ILE A  29
ASP A  28
None
0.93A 4w5tA-2w38A:
undetectable
4w5tA-2w38A:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM


(Mus musculus)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
4 ARG A 694
ILE A 154
ILE A 120
ASP A 117
None
0.97A 4w5tA-2y3aA:
undetectable
4w5tA-2y3aA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2za1 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE


(Plasmodium
falciparum)
PF00215
(OMPdecase)
4 CYH A  19
ILE A 290
ILE A 134
ASP A 136
None
None
None
OMP  A 500 (-2.4A)
1.21A 4w5tA-2za1A:
undetectable
4w5tA-2za1A:
14.80
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.
3ai5 YEAST ENHANCED GREEN
FLUORESCENT
PROTEIN,UBIQUITIN


(Aequorea
victoria;
Mus musculus)
PF00240
(ubiquitin)
PF01353
(GFP)
4 ILE A 276
GLN A 281
ILE A 255
ASP A 284
None
0.81A 4w5tA-3ai5A:
undetectable
4w5tA-3ai5A:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cwg SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 3


(Mus musculus)
PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind)
4 CYH A 251
ILE A 252
GLN A 248
ILE A 258
None
0.94A 4w5tA-3cwgA:
undetectable
4w5tA-3cwgA:
21.44
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.
3euh MUKE

(Escherichia
coli)
PF04288
(MukE)
4 ARG C 211
ILE C 214
GLN C 210
ASP C 205
None
1.19A 4w5tA-3euhC:
undetectable
4w5tA-3euhC:
13.51
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.
3fg6 ADSEVERIN

(Homo sapiens)
PF00626
(Gelsolin)
4 ARG A 408
ILE A 409
GLN A 410
ILE A 426
None
1.14A 4w5tA-3fg6A:
undetectable
4w5tA-3fg6A:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g40 NA-K-CL
COTRANSPORTER


(Methanosarcina
acetivorans)
no annotation 4 ILE A 544
GLN A 540
ILE A 559
ASP A 533
None
1.02A 4w5tA-3g40A:
3.8
4w5tA-3g40A:
16.28
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.
3hid ADENYLOSUCCINATE
SYNTHETASE


(Yersinia pestis)
PF00709
(Adenylsucc_synt)
4 ILE A 134
GLN A 225
ILE A 231
ASP A 230
None
1.19A 4w5tA-3hidA:
undetectable
4w5tA-3hidA:
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.
3k9o UBIQUITIN

(Homo sapiens)
PF00240
(ubiquitin)
4 ILE B  44
GLN B  49
ILE B  23
ASP B  52
None
0.89A 4w5tA-3k9oB:
undetectable
4w5tA-3k9oB:
9.55
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.
3l0g NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE


(Ehrlichia
chaffeensis)
PF01729
(QRPTase_C)
PF02749
(QRPTase_N)
4 CYH A  47
ILE A 102
ILE A 108
ASP A 140
None
1.21A 4w5tA-3l0gA:
2.3
4w5tA-3l0gA:
14.86
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.
3l0w MONOUBIQUITINATED
PROLIFERATING CELL
NUCLEAR ANTIGEN


(Saccharomyces
cerevisiae)
PF00240
(ubiquitin)
PF02747
(PCNA_C)
4 ILE B  44
GLN B  49
ILE B  23
ASP B  52
None
0.68A 4w5tA-3l0wB:
undetectable
4w5tA-3l0wB:
11.64
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.
3mwt NUCLEOPROTEIN

(Lassa
mammarenavirus)
PF00843
(Arena_nucleocap)
PF17290
(Arena_ncap_C)
4 ILE A 484
GLN A 462
ILE A 467
ASP A 466
None
1.21A 4w5tA-3mwtA:
undetectable
4w5tA-3mwtA:
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.
3q3f RIBONUCLEASE/UBIQUIT
IN CHIMERIC PROTEIN


(Bacillus
amyloliquefaciens;
Homo sapiens)
PF00240
(ubiquitin)
PF00545
(Ribonuclease)
4 ILE A 148
GLN A 153
ILE A 127
ASP A 156
None
SO4  A 191 ( 3.2A)
None
None
0.86A 4w5tA-3q3fA:
undetectable
4w5tA-3q3fA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rjy ENDOGLUCANASE
FNCEL5A


(Fervidobacterium
nodosum)
PF00150
(Cellulase)
4 ARG A  82
ILE A  83
ILE A 198
ASP A 200
None
1.21A 4w5tA-3rjyA:
undetectable
4w5tA-3rjyA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3swx PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE


(Mycobacteroides
abscessus)
PF00378
(ECH_1)
4 ARG A  51
ILE A 200
GLN A 203
ASP A 242
None
1.04A 4w5tA-3swxA:
2.5
4w5tA-3swxA:
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.
3ue3 SEPTUM FORMATION,
PENICILLIN BINDING
PROTEIN 3,
PEPTIDOGLYCAN
SYNTHETASE


(Acinetobacter
sp. ATCC 27244)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
4 ARG A 324
GLN A 204
ILE A 329
ASP A 330
None
1.19A 4w5tA-3ue3A:
undetectable
4w5tA-3ue3A:
20.68
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.
3v47 FLAGELLIN

(Salmonella
enterica)
PF00669
(Flagellin_N)
PF00700
(Flagellin_C)
4 ILE C 115
GLN C 116
ILE C 122
ASP C 123
None
1.09A 4w5tA-3v47C:
undetectable
4w5tA-3v47C:
19.27
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.
3vdz UBIQUITIN-40S
RIBOSOMAL PROTEIN
S27A


(Homo sapiens;
synthetic
construct)
PF00240
(ubiquitin)
4 ILE A 144
GLN A 149
ILE A 123
ASP A 152
None
None
None
SO4  A 204 (-3.5A)
0.75A 4w5tA-3vdzA:
undetectable
4w5tA-3vdzA:
8.56
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.
3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499


(Pyrococcus
horikoshii)
PF02585
(PIG-L)
4 ILE A 228
GLN A 223
ILE A  50
ASP A  47
None
GOL  A 302 ( 4.6A)
None
ZN  A 301 ( 2.1A)
1.06A 4w5tA-3we7A:
2.4
4w5tA-3we7A:
17.03
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.
3wl4 UNCHARACTERIZED
PROTEIN


(Pyrococcus
furiosus)
PF02585
(PIG-L)
4 ILE A 223
GLN A 218
ILE A  46
ASP A  43
HEZ  A 315 ( 4.3A)
TAM  A 309 ( 4.0A)
TAM  A 309 (-4.9A)
CD  A 301 ( 2.1A)
0.82A 4w5tA-3wl4A:
2.5
4w5tA-3wl4A:
14.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a35 MITOCHONDRIAL
ENOLASE SUPERFAMILY
MEMBER 1


(Homo sapiens)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 ILE A 316
GLN A 319
ILE A 159
ASP A 161
None
1.16A 4w5tA-4a35A:
undetectable
4w5tA-4a35A:
18.33
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.
4au0 EXOGLUCANASE 2

(Trichoderma
reesei)
PF01341
(Glyco_hydro_6)
4 CYH A 245
ILE A 246
ILE A 187
ASP A 173
None
1.16A 4w5tA-4au0A:
undetectable
4w5tA-4au0A:
16.80
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.
4da5 CHOLINE KINASE ALPHA

(Homo sapiens)
PF01633
(Choline_kinase)
4 ARG A 213
GLN A 308
ILE A 329
ASP A 330
None
0H7  A 502 (-3.1A)
None
None
1.07A 4w5tA-4da5A:
undetectable
4w5tA-4da5A:
19.20
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.
4i5u CHIMERIC CEL6A

(Humicola
insolens;
Trichoderma
reesei;
Chaetomium
thermophilum)
PF01341
(Glyco_hydro_6)
4 CYH A 246
ILE A 247
ILE A 188
ASP A 174
ACT  A 502 ( 3.9A)
None
None
EDO  A 507 (-4.2A)
1.17A 4w5tA-4i5uA:
undetectable
4w5tA-4i5uA:
17.69
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.
4ii2 UBIQUITIN-60S
RIBOSOMAL PROTEIN
L40


(Schizosaccharomyces
pombe)
PF00240
(ubiquitin)
4 ILE B  44
GLN B  49
ILE B  23
ASP B  52
None
EDO  B 101 (-2.8A)
None
None
0.83A 4w5tA-4ii2B:
undetectable
4w5tA-4ii2B:
8.83
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.
4ii3 UBIQUITIN-60S
RIBOSOMAL PROTEIN
L40


(Schizosaccharomyces
pombe)
PF00240
(ubiquitin)
4 ILE B  44
GLN B  49
ILE B  23
ASP B  52
None
0.91A 4w5tA-4ii3B:
undetectable
4w5tA-4ii3B:
8.06
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN ALPHA
SUBUNIT
ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA/BETA-SUBUNIT


(Acidaminococcus
fermentans;
Acidaminococcus
fermentans)
PF00766
(ETF_alpha)
PF01012
(ETF)
PF01012
(ETF)
4 ARG A 204
CYH A 202
ILE A 203
ASP B 159
None
0.97A 4w5tA-4kpuA:
2.6
4w5tA-4kpuA:
17.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens)
PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2)
6 ARG A 686
CYH A 689
ILE A 690
GLN A 697
ILE A 700
ASP A 769
None
0.46A 4w5tA-4krfA:
49.4
4w5tA-4krfA:
82.46
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.
4m0q MEMBRANE-ASSOCIATED
PROTEIN VP24


(Zaire
ebolavirus)
PF06389
(Filo_VP24)
4 ILE A 157
GLN A 105
ILE A 107
ASP A 108
None
0.98A 4w5tA-4m0qA:
undetectable
4w5tA-4m0qA:
13.40
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.
4m9d ADENYLOSUCCINATE
SYNTHETASE


(Bacillus
anthracis)
PF00709
(Adenylsucc_synt)
4 ILE A 132
GLN A 223
ILE A 229
ASP A 228
AMP  A 501 ( 4.3A)
AMP  A 501 (-4.1A)
None
None
0.99A 4w5tA-4m9dA:
undetectable
4w5tA-4m9dA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p7l POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE


(Escherichia
coli)
PF14883
(GHL13)
4 ARG A 315
ILE A 605
GLN A 314
ILE A 348
None
1.12A 4w5tA-4p7lA:
2.5
4w5tA-4p7lA:
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.
4pqq MUSKELIN

(Mus musculus)
PF06588
(Muskelin_N)
4 CYH A 164
GLN A 162
ILE A 160
ASP A 157
None
1.01A 4w5tA-4pqqA:
undetectable
4w5tA-4pqqA:
11.00
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.
4tpu RUBREDOXIN

(Methanosarcina
acetivorans)
PF02943
(FeThRed_B)
4 ARG A 112
ILE A 115
ILE A  65
ASP A  62
NA  A 306 ( 4.4A)
None
None
None
1.21A 4w5tA-4tpuA:
undetectable
4w5tA-4tpuA:
12.02
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.
4urd TRIGGER FACTOR

(Escherichia
coli)
PF05697
(Trigger_N)
4 ARG A  73
ILE A  76
ILE A  24
ASP A  69
None
1.17A 4w5tA-4urdA:
undetectable
4w5tA-4urdA:
9.22
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.
4v16 SVP1-LIKE PROTEIN 2

(Kluyveromyces
lactis)
no annotation 4 ARG A 220
CYH A 197
ILE A 204
ASP A 244
None
1.16A 4w5tA-4v16A:
undetectable
4w5tA-4v16A:
17.04
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.
4wsb POLYMERASE PB2

(Influenza A
virus)
PF00604
(Flu_PB2)
4 ARG C 650
ILE C 649
GLN C 614
ILE C 696
None
1.19A 4w5tA-4wsbC:
undetectable
4w5tA-4wsbC:
22.17
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.
4xrf TRANSCRIPTIONAL
REGULATOR, MARR
FAMILY


(Bacillus cereus)
PF01047
(MarR)
4 ILE A  42
GLN A  39
ILE A  76
ASP A  77
None
None
GOL  A 207 ( 4.5A)
None
1.13A 4w5tA-4xrfA:
undetectable
4w5tA-4xrfA:
11.15
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.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7


(Homo sapiens)
PF03133
(TTL)
4 ARG A  94
ILE A  95
GLN A  93
ILE A 380
None
0.97A 4w5tA-4ylrA:
undetectable
4w5tA-4ylrA:
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.
5b83 TETRA UBIQUITIN

(Homo sapiens)
PF00240
(ubiquitin)
4 ILE A 120
GLN A 125
ILE A  99
ASP A 128
None
0.95A 4w5tA-5b83A:
undetectable
4w5tA-5b83A:
17.17
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.
5b83 TETRA UBIQUITIN

(Homo sapiens)
PF00240
(ubiquitin)
4 ILE A 196
GLN A 201
ILE A 175
ASP A 204
None
0.62A 4w5tA-5b83A:
undetectable
4w5tA-5b83A:
17.17
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.
5b83 TETRA UBIQUITIN

(Homo sapiens)
PF00240
(ubiquitin)
4 ILE A 272
GLN A 277
ILE A 251
ASP A 280
None
0.71A 4w5tA-5b83A:
undetectable
4w5tA-5b83A:
17.17
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.
5cy1 TRANSPOSON TN3
RESOLVASE


(Escherichia
coli)
PF00239
(Resolvase)
PF02796
(HTH_7)
4 ILE A  20
GLN A  19
ILE A  93
ASP A  94
None
1.16A 4w5tA-5cy1A:
3.5
4w5tA-5cy1A:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dtu PRP28

(Chaetomium
thermophilum)
PF00270
(DEAD)
PF00271
(Helicase_C)
4 ARG A 304
ILE A 307
GLN A 303
ILE A 264
None
None
ADP  A 801 (-2.8A)
None
1.01A 4w5tA-5dtuA:
undetectable
4w5tA-5dtuA:
20.37
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.
5f0o COHESIN SUBUNIT
PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P


(Lachancea
thermotolerans)
no annotation 4 ARG A 450
ILE A 454
ILE A 494
ASP A 496
None
1.08A 4w5tA-5f0oA:
undetectable
4w5tA-5f0oA:
20.37
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.
5ftg CHOLINE KINASE ALPHA

(Homo sapiens)
PF01633
(Choline_kinase)
4 ARG A 213
GLN A 308
ILE A 329
ASP A 330
None
NBR  A1458 ( 3.3A)
None
None
1.10A 4w5tA-5ftgA:
undetectable
4w5tA-5ftgA:
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.
5gju ATP-DEPENDENT RNA
HELICASE DEAD


(Escherichia
coli)
PF00270
(DEAD)
4 CYH A  36
ILE A  37
GLN A  33
ILE A 210
None
None
AMP  A 301 (-2.4A)
None
0.99A 4w5tA-5gjuA:
undetectable
4w5tA-5gjuA:
13.88
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.
5gw4 T-COMPLEX PROTEIN 1
SUBUNIT GAMMA


(Saccharomyces
cerevisiae)
PF00118
(Cpn60_TCP1)
4 ILE g  22
GLN g  21
ILE g 526
ASP g 525
None
1.13A 4w5tA-5gw4g:
undetectable
4w5tA-5gw4g:
19.37
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.
5gxf ACRYLYL-COA
REDUCTASE ACUI


(Ruegeria
pomeroyi)
PF00107
(ADH_zinc_N)
4 CYH A  49
ILE A  50
ILE A  66
ASP A  67
None
1.21A 4w5tA-5gxfA:
undetectable
4w5tA-5gxfA:
16.86
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.
5h07 POLYUBIQUITIN-C

(Homo sapiens)
PF00240
(ubiquitin)
4 ILE A  44
GLN A  49
ILE A  23
ASP A  52
None
0.95A 4w5tA-5h07A:
undetectable
4w5tA-5h07A:
14.84
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.
5hpt UBIQUITIN VARIANT
P2.3


(Homo sapiens)
PF00240
(ubiquitin)
4 ILE B  44
GLN B  49
ILE B  23
ASP B  52
None
0.73A 4w5tA-5hptB:
undetectable
4w5tA-5hptB:
6.55
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.
5i3o BMP-2-INDUCIBLE
PROTEIN KINASE


(Homo sapiens)
PF00069
(Pkinase)
4 ARG A 230
ILE A 273
GLN A 270
ILE A 221
None
1.19A 4w5tA-5i3oA:
undetectable
4w5tA-5i3oA:
16.57
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.
5ipg BACTERIOFERRITIN
COMIGRATORY PROTEIN


(Xanthomonas
campestris)
PF00578
(AhpC-TSA)
4 ARG A  74
CYH A 102
ILE A 108
ASP A  75
None
1.16A 4w5tA-5ipgA:
undetectable
4w5tA-5ipgA:
11.32
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.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5


(Gallus gallus)
PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD)
4 CYH A 936
ILE A 935
GLN A 941
ILE A 888
ZN  A1003 (-2.3A)
None
None
None
1.16A 4w5tA-5jcfA:
undetectable
4w5tA-5jcfA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lx8 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron)
PF07980
(SusD_RagB)
PF14322
(SusD-like_3)
4 ILE A  53
GLN A 114
ILE A 108
ASP A 107
None
1.19A 4w5tA-5lx8A:
undetectable
4w5tA-5lx8A:
20.02
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.
5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III


(Methanococcoides
burtonii)
PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N)
4 ARG A 389
ILE A 382
ILE A 362
ASP A 366
None
None
None
MG  A 503 (-2.2A)
1.01A 4w5tA-5macA:
undetectable
4w5tA-5macA:
20.91
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.
5mpt CITRININ POLYKETIDE
SYNTHASE


(Monascus
purpureus)
PF08242
(Methyltransf_12)
4 ARG A1889
CYH A1843
GLN A1852
ILE A1880
None
1.21A 4w5tA-5mptA:
undetectable
4w5tA-5mptA:
19.51
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.
5o76 UBV.PCBL UBIQUITIN
VARIANT


(Homo sapiens)
no annotation 4 ILE E  44
GLN E  49
ILE E  23
ASP E  52
None
0.74A 4w5tA-5o76E:
undetectable
4w5tA-5o76E:
7.39
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.
5u32 TRNA LIGASE

(Candida
albicans)
no annotation 4 ARG A 595
ILE A 596
ILE A 618
ASP A 615
None
1.14A 4w5tA-5u32A:
3.4
4w5tA-5u32A:
13.04
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.
5ucl POLYUBIQUITIN-B

(Homo sapiens)
PF00240
(ubiquitin)
4 ILE A  44
GLN A  49
ILE A  23
ASP A  52
None
0.86A 4w5tA-5uclA:
undetectable
4w5tA-5uclA:
7.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v5g UBIQUITIN VARIANT
CC.4


(synthetic
construct)
PF00240
(ubiquitin)
4 ILE B  44
GLN B  49
ILE B  23
ASP B  52
None
EDO  B 101 ( 4.1A)
None
EDO  B 101 (-2.5A)
0.76A 4w5tA-5v5gB:
undetectable
4w5tA-5v5gB:
8.56
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.
5v6a ME.2

(Homo sapiens)
PF00240
(ubiquitin)
4 ILE B  44
GLN B  49
ILE B  23
ASP B  52
None
0.79A 4w5tA-5v6aB:
undetectable
4w5tA-5v6aB:
7.57
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.
5vix POLYUBIQUITIN

(Naegleria
gruberi)
PF00240
(ubiquitin)
4 ILE A  44
GLN A  49
ILE A  23
ASP A  52
None
0.83A 4w5tA-5vixA:
undetectable
4w5tA-5vixA:
13.08
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.
5vix POLYUBIQUITIN

(Naegleria
gruberi)
PF00240
(ubiquitin)
4 ILE A 120
GLN A 125
ILE A  99
ASP A 128
NO3  A 201 (-4.5A)
None
None
None
0.76A 4w5tA-5vixA:
undetectable
4w5tA-5vixA:
13.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens)
no annotation 4 ARG A 689
ILE A 693
ILE A 703
ASP A 772
None
1.11A 4w5tA-5vm9A:
46.0
4w5tA-5vm9A:
79.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens)
no annotation 4 CYH A 692
ILE A 693
ILE A 703
ASP A 772
None
0.43A 4w5tA-5vm9A:
46.0
4w5tA-5vm9A:
79.75
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.
5w0m TERMINAL
URIDYLYLTRANSFERASE
7


(Homo sapiens)
PF00098
(zf-CCHC)
PF03828
(PAP_assoc)
4 ARG A1165
CYH A1346
ILE A1353
ASP A1159
None
None
U  H   1 ( 4.1A)
None
1.16A 4w5tA-5w0mA:
undetectable
4w5tA-5w0mA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w19 TRYPTOPHANASE

(Proteus
vulgaris)
no annotation 4 ARG A   4
ILE A   5
GLN A 331
ASP A 428
None
1.13A 4w5tA-5w19A:
undetectable
4w5tA-5w19A:
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.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens)
no annotation 6 ARG A 688
CYH A 691
ILE A 692
GLN A 699
ILE A 702
ASP A 771
None
0.71A 4w5tA-5weaA:
48.7
4w5tA-5weaA:
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.
5x6o SERINE/THREONINE-PRO
TEIN KINASE MEC1


(Saccharomyces
cerevisiae)
no annotation 4 CYH C 932
ILE C 931
GLN C 934
ILE C 910
None
1.18A 4w5tA-5x6oC:
undetectable
4w5tA-5x6oC:
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.
5xyi RIBOSOMAL PROTEIN
S3AE, PUTATIVE


(Trichomonas
vaginalis)
PF01015
(Ribosomal_S3Ae)
4 CYH B 197
ILE B 200
GLN B 159
ILE B 117
None
1.14A 4w5tA-5xyiB:
undetectable
4w5tA-5xyiB:
14.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis)
no annotation 4 ARG A 586
ILE A 589
GLN A 585
ILE A 583
None
0.95A 4w5tA-5z06A:
undetectable
4w5tA-5z06A:
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.
5zc2 -

(-)
no annotation 4 ARG B 240
ILE B  90
GLN B 239
ASP B 237
None
1.06A 4w5tA-5zc2B:
undetectable
4w5tA-5zc2B:
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.
6brs PUTATIVE ZINC
PROTEASE


(Pectobacterium
atrosepticum)
no annotation 4 ARG A 869
ILE A 872
GLN A 868
ASP A 863
None
1.07A 4w5tA-6brsA:
undetectable
4w5tA-6brsA:
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.
6c9m N-ALPHA-ACETYLTRANSF
ERASE 15, NATA
AUXILIARY SUBUNIT


(Homo sapiens)
no annotation 4 ILE A 125
GLN A 126
ILE A 100
ASP A  97
None
1.02A 4w5tA-6c9mA:
undetectable
4w5tA-6c9mA:
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.
6eio ANTIFREEZE PROTEIN

(uncultured
bacterium)
no annotation 4 ILE A 171
GLN A 172
ILE A  50
ASP A 118
None
1.20A 4w5tA-6eioA:
undetectable
4w5tA-6eioA:
undetectable