SIMILAR PATTERNS OF AMINO ACIDS FOR 4ACA_C_DXCC1478

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.
1ayb PROTEIN-TYROSINE
PHOSPHATASE SYP
(N-TERMINAL SH2
DOMAIN)


(Mus musculus)
PF00017
(SH2)
4 GLY A  13
THR A  12
ILE A  11
THR A  22
None
0.75A 4acaC-1aybA:
undetectable
4acaC-1aybA:
11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1azz COLLAGENASE

(Leptuca
pugilator)
PF00089
(Trypsin)
4 ASP A 159
GLY A 189
THR A 190
ILE A  16
None
0.84A 4acaC-1azzA:
3.0
4acaC-1azzA:
18.52
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.
1d8c MALATE SYNTHASE G

(Escherichia
coli)
PF01274
(Malate_synthase)
4 GLY A 368
THR A 367
ILE A 370
PHE A  19
None
0.95A 4acaC-1d8cA:
2.5
4acaC-1d8cA:
21.74
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.
1jih DNA POLYMERASE ETA

(Saccharomyces
cerevisiae)
PF00817
(IMS)
PF11799
(IMS_C)
4 SER A 242
GLY A 263
THR A 284
ILE A 285
None
0.95A 4acaC-1jihA:
undetectable
4acaC-1jihA:
23.39
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.
1k94 GRANCALCIN

(Homo sapiens)
PF13202
(EF-hand_5)
PF13833
(EF-hand_8)
4 ASP A 190
GLY A 213
THR A 214
ILE A 217
None
0.78A 4acaC-1k94A:
undetectable
4acaC-1k94A:
14.98
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.
1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB


(Escherichia
coli)
PF08501
(Shikimate_dh_N)
4 GLY A 108
THR A 109
ILE A 112
THR A 175
None
0.95A 4acaC-1o9bA:
3.4
4acaC-1o9bA:
19.80
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.
1op2 VENOM SERINE
PROTEINASE


(Deinagkistrodon
acutus)
PF00089
(Trypsin)
4 ASP A 194
GLY A  44
THR A  45
THR A 190
None
0.87A 4acaC-1op2A:
undetectable
4acaC-1op2A:
18.80
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.
1sb8 WBPP

(Pseudomonas
aeruginosa)
PF01370
(Epimerase)
4 GLY A  23
THR A  22
ILE A  21
THR A 242
NAD  A 342 (-3.4A)
None
None
None
0.68A 4acaC-1sb8A:
5.8
4acaC-1sb8A:
21.62
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.
1tly NUCLEOSIDE-SPECIFIC
CHANNEL-FORMING
PROTEIN TSX


(Escherichia
coli)
PF03502
(Channel_Tsx)
4 SER A  85
GLY A 128
THR A 129
THR A  90
None
0.78A 4acaC-1tlyA:
undetectable
4acaC-1tlyA:
20.12
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.
1tz9 MANNONATE
DEHYDRATASE


(Enterococcus
faecalis)
PF03786
(UxuA)
4 GLY A  31
THR A  32
ILE A  64
THR A 243
None
0.69A 4acaC-1tz9A:
2.1
4acaC-1tz9A:
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT


(Thermotoga
maritima)
PF13393
(tRNA-synt_His)
4 GLY C 236
THR C 132
ILE C 238
THR C  55
None
0.85A 4acaC-1usyC:
undetectable
4acaC-1usyC:
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.
2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2


(Homo sapiens)
PF00069
(Pkinase)
4 ASP A 199
GLY A 204
THR A 207
ILE A 206
None
0.75A 4acaC-2a2aA:
undetectable
4acaC-2a2aA:
22.36
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.
2btu PHOSPHORIBOSYL-AMINO
IMIDAZOLE SYNTHETASE


(Bacillus
anthracis)
PF00586
(AIRS)
PF02769
(AIRS_C)
4 GLY A  81
THR A  79
ILE A  82
THR A  28
None
0.92A 4acaC-2btuA:
undetectable
4acaC-2btuA:
23.87
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.
2cge ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82


(Saccharomyces
cerevisiae)
PF00183
(HSP90)
4 SER A 485
GLY A 476
THR A 475
ILE A 474
None
0.96A 4acaC-2cgeA:
undetectable
4acaC-2cgeA:
23.30
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.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC


(Salmonella
enterica)
PF00291
(PALP)
4 ASP A 316
GLY A 313
THR A 281
ILE A 280
None
0.81A 4acaC-2gn1A:
3.2
4acaC-2gn1A:
23.19
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.
2gtl HEMOGLOBIN LINKER
CHAIN L1


(Lumbricus
terrestris)
PF00057
(Ldl_recept_a)
PF16915
(Eryth_link_C)
4 ASP M 205
GLY M 113
THR M 112
PHE M 196
None
0.94A 4acaC-2gtlM:
undetectable
4acaC-2gtlM:
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.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN


(Thermoplasma
acidophilum)
PF01019
(G_glu_transpept)
4 ASP A 434
GLY A 502
THR A 492
ILE A 491
None
0.94A 4acaC-2i3oA:
undetectable
4acaC-2i3oA:
23.56
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT


(Aromatoleum
aromaticum)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
4 GLY A 847
THR A 846
ILE A 917
THR A 288
None
MGD  A1986 ( 4.1A)
None
None
0.91A 4acaC-2ivfA:
undetectable
4acaC-2ivfA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j7m HYALURONIDASE

(Clostridium
perfringens)
PF00754
(F5_F8_type_C)
4 ASP A 742
GLY A 700
THR A 699
ILE A 698
None
0.93A 4acaC-2j7mA:
undetectable
4acaC-2j7mA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2m6k FERRIENTEROBACTIN-BI
NDING PERIPLASMIC
PROTEIN


(Escherichia
coli)
PF01497
(Peripla_BP_2)
4 ASP A  61
GLY A 161
THR A 160
ILE A 159
None
0.95A 4acaC-2m6kA:
2.7
4acaC-2m6kA:
22.22
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.
2mux UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 25


(Homo sapiens)
PF02809
(UIM)
4 GLY A  29
THR A  28
ILE A  27
PHE A  20
None
0.94A 4acaC-2muxA:
undetectable
4acaC-2muxA:
18.43
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.
2nad NAD-DEPENDENT
FORMATE
DEHYDROGENASE


(Pseudomonas sp.
101)
PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
4 GLY A 347
THR A 348
ILE A 351
THR A 376
None
0.83A 4acaC-2nadA:
3.3
4acaC-2nadA:
22.00
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.
2nq2 HYPOTHETICAL ABC
TRANSPORTER PERMEASE
PROTEIN HI1471


(Haemophilus
influenzae)
PF01032
(FecCD)
4 GLY A 107
THR A 108
ILE A 111
THR A 191
None
0.95A 4acaC-2nq2A:
undetectable
4acaC-2nq2A:
22.65
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.
2pes URICASE

(Aspergillus
flavus)
PF01014
(Uricase)
4 ASP A 133
GLY A  84
THR A  85
ILE A  88
None
0.84A 4acaC-2pesA:
undetectable
4acaC-2pesA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppv UNCHARACTERIZED
PROTEIN


(Staphylococcus
epidermidis)
PF01933
(UPF0052)
4 ASP A  85
GLY A  43
THR A  42
ILE A  45
None
0.88A 4acaC-2ppvA:
4.8
4acaC-2ppvA:
23.48
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.
2pzk PUTATIVE NUCLEOTIDE
SUGAR EPIMERASE/
DEHYDRATASE


(Bordetella
bronchiseptica)
PF01370
(Epimerase)
4 GLY A 288
THR A 287
ILE A 286
THR A 225
None
0.92A 4acaC-2pzkA:
5.9
4acaC-2pzkA:
24.27
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.
2ver AFIMBRIAL ADHESIN
AFA-III


(Escherichia
coli)
PF04619
(Adhesin_Dr)
4 GLY A  94
THR A  95
ILE A  96
THR A 134
None
MTN  N1111 ( 4.7A)
None
None
0.86A 4acaC-2verA:
undetectable
4acaC-2verA:
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.
2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1


(Homo sapiens)
PF00069
(Pkinase)
4 ASP A 199
GLY A 204
THR A 207
ILE A 206
None
0.77A 4acaC-2w4kA:
undetectable
4acaC-2w4kA:
21.00
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.
2w86 FIBRILLIN-1

(Homo sapiens)
PF00683
(TB)
PF07645
(EGF_CA)
4 SER A  97
ASP A  89
GLY A  95
ILE A 107
None
0.89A 4acaC-2w86A:
undetectable
4acaC-2w86A:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL


(Homo sapiens)
PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
4 GLY A 563
THR A 566
ILE A 565
THR A 170
None
0.80A 4acaC-2xijA:
7.7
4acaC-2xijA:
21.46
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.
2yx0 RADICAL SAM ENZYME

(Pyrococcus
horikoshii)
PF04055
(Radical_SAM)
PF08608
(Wyosine_form)
4 GLY A 179
THR A 180
ILE A 225
THR A 244
None
0.79A 4acaC-2yx0A:
2.8
4acaC-2yx0A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b70 ENOYL REDUCTASE

(Aspergillus
terreus)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 SER A 138
THR A 284
ILE A 285
THR A 177
None
None
None
NAP  A 372 (-3.5A)
0.89A 4acaC-3b70A:
3.1
4acaC-3b70A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bb9 PUTATIVE ORPHAN
PROTEIN


(Shewanella
frigidimarina)
PF13474
(SnoaL_3)
4 GLY A 101
THR A 100
ILE A  99
THR A 142
None
0.88A 4acaC-3bb9A:
undetectable
4acaC-3bb9A:
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.
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3


(Homo sapiens)
PF00069
(Pkinase)
4 ASP A 199
GLY A 204
THR A 207
ILE A 206
None
0.76A 4acaC-3bqrA:
undetectable
4acaC-3bqrA:
21.95
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.
3c9p UNCHARACTERIZED
PROTEIN SP1917


(Streptococcus
pneumoniae)
PF09966
(DUF2200)
4 ASP A 101
GLY A  75
THR A  74
ILE A  82
None
0.81A 4acaC-3c9pA:
undetectable
4acaC-3c9pA:
14.61
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.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
4 ASP A 376
GLY A 655
THR A 656
ILE A 651
1MS  A 695 (-3.5A)
None
None
None
0.88A 4acaC-3e9yA:
2.8
4acaC-3e9yA:
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE


(Trichoderma
reesei)
PF00026
(Asp)
4 ASP A  32
GLY A 119
ILE A 117
THR A 216
None
0.90A 4acaC-3emyA:
undetectable
4acaC-3emyA:
21.54
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.
3foc TRYPTOPHANYL-TRNA
SYNTHETASE


(Giardia
intestinalis)
PF00579
(tRNA-synt_1b)
4 GLY A  77
THR A 110
ILE A 109
THR A  94
None
0.92A 4acaC-3focA:
2.5
4acaC-3focA:
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.
3gbf PHPD

(Streptomyces
viridochromogenes)
no annotation 4 ASP A 309
GLY A 171
THR A 170
ILE A 169
CD  A 505 (-2.1A)
None
None
None
0.89A 4acaC-3gbfA:
undetectable
4acaC-3gbfA:
21.69
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.
3gg4 GLYCEROL KINASE

(Yersinia
pseudotuberculosis)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
4 SER A 389
GLY A 426
THR A 427
ILE A 430
None
0.65A 4acaC-3gg4A:
undetectable
4acaC-3gg4A:
22.34
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.
3h7j BACILYSIN
BIOSYNTHESIS PROTEIN
BACB


(Bacillus
subtilis)
PF07883
(Cupin_2)
4 ASP A 178
GLY A 157
ILE A 152
THR A 185
None
0.87A 4acaC-3h7jA:
undetectable
4acaC-3h7jA:
17.52
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.
3ivu HOMOCITRATE
SYNTHASE,
MITOCHONDRIAL


(Schizosaccharomyces
pombe)
PF00682
(HMGL-like)
4 SER A 166
GLY A 127
THR A 128
THR A 197
None
None
None
AKG  A1000 (-2.9A)
0.63A 4acaC-3ivuA:
3.5
4acaC-3ivuA:
22.14
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.
3j2u KINESIN-LIKE PROTEIN
KLP10A


(Drosophila
melanogaster)
PF00225
(Kinesin)
4 GLY K 360
THR K 355
ILE K 356
PHE K 512
None
0.81A 4acaC-3j2uK:
undetectable
4acaC-3j2uK:
23.18
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.
3j31 C381 TURRET PROTEIN

(Sulfolobus
turreted
icosahedral
virus 1)
no annotation 4 ASP P 238
GLY P 234
THR P 233
ILE P 232
None
0.77A 4acaC-3j31P:
undetectable
4acaC-3j31P:
20.64
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.
3k2n SIGMA-54-DEPENDENT
TRANSCRIPTIONAL
REGULATOR


(Chlorobaculum
tepidum)
PF13185
(GAF_2)
4 GLY A 130
THR A  42
ILE A  41
THR A  75
None
0.93A 4acaC-3k2nA:
undetectable
4acaC-3k2nA:
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465


(Oleispira
antarctica)
PF01979
(Amidohydro_1)
4 SER A 252
THR A 257
THR A 247
PHE A 249
None
0.73A 4acaC-3lnpA:
2.3
4acaC-3lnpA:
21.76
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.
3otd TRNA(HIS)
GUANYLYLTRANSFERASE


(Homo sapiens)
PF04446
(Thg1)
PF14413
(Thg1C)
4 ASP A 251
GLY A 209
THR A 210
PHE A 257
None
None
IOD  A 270 ( 4.6A)
None
0.69A 4acaC-3otdA:
undetectable
4acaC-3otdA:
20.21
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.
3pnu DIHYDROOROTASE

(Campylobacter
jejuni)
PF04909
(Amidohydro_2)
4 GLY A  90
THR A  70
ILE A  88
PHE A  80
None
KCX  A  92 ( 4.7A)
None
None
0.95A 4acaC-3pnuA:
2.1
4acaC-3pnuA:
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.
3qbw ANHYDRO-N-ACETYLMURA
MIC ACID KINASE


(Pseudomonas
aeruginosa)
PF03702
(AnmK)
4 SER A 167
ASP A 182
ILE A 273
THR A 236
None
SO4  A 372 ( 4.7A)
None
None
0.95A 4acaC-3qbwA:
undetectable
4acaC-3qbwA:
21.76
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.
3qdk RIBULOKINASE

(Bacillus
halodurans)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
4 SER A 391
GLY A 425
THR A 426
ILE A 429
None
0.67A 4acaC-3qdkA:
undetectable
4acaC-3qdkA:
24.79
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli)
PF02395
(Peptidase_S6)
4 ASP A 551
GLY A 632
THR A 552
PHE A 636
None
0.72A 4acaC-3szeA:
2.5
4acaC-3szeA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tcm ALANINE
AMINOTRANSFERASE 2


(Hordeum vulgare)
PF00155
(Aminotran_1_2)
4 SER A 113
GLY A 110
THR A 109
ILE A 337
None
0.83A 4acaC-3tcmA:
4.7
4acaC-3tcmA:
23.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aca TRANSLATION
ELONGATION FACTOR
SELB


(Methanococcus
maripaludis)
PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
6 SER A 121
ASP A 122
GLY A 125
THR A 126
ILE A 129
THR A 158
None
0.42A 4acaC-4acaA:
51.8
4acaC-4acaA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aca TRANSLATION
ELONGATION FACTOR
SELB


(Methanococcus
maripaludis)
PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
5 SER A 121
ASP A 122
ILE A 129
THR A 158
PHE A 160
None
0.53A 4acaC-4acaA:
51.8
4acaC-4acaA:
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.
4aq1 SBSB PROTEIN

(Geobacillus
stearothermophilus)
no annotation 4 ASP C 447
GLY C 464
ILE C 462
PHE C 485
None
0.88A 4acaC-4aq1C:
undetectable
4acaC-4aq1C:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4atq 4-AMINOBUTYRATE
TRANSAMINASE


(Paenarthrobacter
aurescens)
PF00202
(Aminotran_3)
4 GLY A 207
THR A 206
ILE A 205
THR A 216
None
0.87A 4acaC-4atqA:
2.7
4acaC-4atqA:
24.08
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.
4buc UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE


(Thermotoga
maritima)
PF08245
(Mur_ligase_M)
4 SER A 177
GLY A 129
THR A 130
PHE A 179
None
None
PO4  A1000 ( 4.4A)
PO4  A1000 (-4.6A)
0.89A 4acaC-4bucA:
3.6
4acaC-4bucA:
23.71
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.
4hb9 SIMILARITIES WITH
PROBABLE
MONOOXYGENASE


(Photorhabdus
laumondii)
PF01494
(FAD_binding_3)
4 ASP A 161
GLY A  12
THR A  13
ILE A  28
None
0.87A 4acaC-4hb9A:
2.1
4acaC-4hb9A:
23.61
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.
4hum MULTIDRUG EFFLUX
PROTEIN


(Neisseria
gonorrhoeae)
PF01554
(MatE)
4 SER A 324
GLY A 304
THR A 305
ILE A 308
None
0.80A 4acaC-4humA:
undetectable
4acaC-4humA:
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.
4imm OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL


(Moraxella
catarrhalis)
PF13360
(PQQ_2)
4 GLY A 171
THR A 172
ILE A 173
THR A 232
None
0.90A 4acaC-4immA:
undetectable
4acaC-4immA:
23.80
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.
4irf MALARIAL CLPB2
ATPASE/HSP101
PROTEIN


(Plasmodium
falciparum)
PF02861
(Clp_N)
4 SER A  47
ASP A  48
THR A  16
ILE A  19
None
0.88A 4acaC-4irfA:
undetectable
4acaC-4irfA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j8l UNCHARACTERIZED
PROTEIN YHFS


(Escherichia
coli)
PF00155
(Aminotran_1_2)
4 GLY A  75
THR A  76
ILE A  79
THR A 143
LLP  A 196 ( 3.3A)
LLP  A 196 ( 3.6A)
None
LLP  A 196 ( 4.7A)
0.72A 4acaC-4j8lA:
3.8
4acaC-4j8lA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k17 LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A


(Mus musculus)
PF13516
(LRR_6)
4 GLY A 619
THR A 616
ILE A 615
THR A 565
None
0.86A 4acaC-4k17A:
undetectable
4acaC-4k17A:
21.61
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.
4k6n AMINODEOXYCHORISMATE
LYASE


(Saccharomyces
cerevisiae)
PF01063
(Aminotran_4)
5 GLY A 189
THR A 188
ILE A 138
THR A 253
PHE A  25
None
1.21A 4acaC-4k6nA:
undetectable
4acaC-4k6nA:
25.69
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.
4mzu WXCM-LIKE PROTEIN

(Shewanella
denitrificans)
PF00132
(Hexapep)
PF05523
(FdtA)
4 ASP A 198
GLY A 258
ILE A 231
PHE A 195
None
0.96A 4acaC-4mzuA:
undetectable
4acaC-4mzuA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r0m MCYG PROTEIN

(Microcystis
aeruginosa)
no annotation 4 GLY B 434
THR B 433
ILE B 432
THR B 418
None
None
FA5  B 701 (-4.1A)
None
0.67A 4acaC-4r0mB:
2.3
4acaC-4r0mB:
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.
4twr NAD BINDING
SITE:NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E:UDP-GLUCOSE
4-EPIMERASE


(Brucella
abortus)
PF01370
(Epimerase)
4 GLY A  98
THR A  99
ILE A  54
THR A  38
None
None
NAD  A 400 (-3.8A)
NAD  A 400 (-3.5A)
0.95A 4acaC-4twrA:
7.4
4acaC-4twrA:
21.54
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.
4v1r ALPHA-1,6-MANNANASE

(Bacteroides
thetaiotaomicron)
PF03663
(Glyco_hydro_76)
4 SER A 103
ASP A 104
THR A  92
ILE A  95
None
0.87A 4acaC-4v1rA:
undetectable
4acaC-4v1rA:
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.
4wa8 FLAP ENDONUCLEASE 1

(Methanopyrus
kandleri)
PF00752
(XPG_N)
PF00867
(XPG_I)
4 GLY A 167
THR A 166
ILE A  25
THR A  15
None
0.92A 4acaC-4wa8A:
2.2
4acaC-4wa8A:
23.45
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.
4xyb FORMATE
DEHYDROGENASE


(Granulicella
mallensis)
PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
4 GLY A 348
THR A 349
ILE A 352
THR A 377
None
0.79A 4acaC-4xybA:
3.2
4acaC-4xybA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zu4 WXCM-LIKE PROTEIN

(Shewanella
denitrificans)
PF05523
(FdtA)
4 ASP A 198
GLY A 258
ILE A 231
PHE A 195
None
0.92A 4acaC-4zu4A:
undetectable
4acaC-4zu4A:
16.35
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.
5c6g AGR133CP

(Eremothecium
gossypii)
PF10345
(Cohesin_load)
4 SER A 591
ASP A 592
GLY A 586
THR A 587
None
0.96A 4acaC-5c6gA:
undetectable
4acaC-5c6gA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5df6 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11


(Homo sapiens)
PF00017
(SH2)
4 GLY A  13
THR A  12
ILE A  11
THR A  22
None
0.85A 4acaC-5df6A:
undetectable
4acaC-5df6A:
25.19
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.
5e4m HYDROXYNITRILE LYASE

(Davallia
tyermannii)
no annotation 4 GLY A 110
THR A 109
ILE A 108
THR A 163
None
0.79A 4acaC-5e4mA:
undetectable
4acaC-5e4mA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fcr COMPLEMENT FACTOR D

(Mus musculus)
PF00089
(Trypsin)
4 ASP A 194
GLY A  44
THR A  45
THR A 190
None
0.77A 4acaC-5fcrA:
2.5
4acaC-5fcrA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fv5 KPFLO11A1

(Komagataella
phaffii)
PF10182
(Flo11)
4 ASP A  65
GLY A  55
THR A  54
ILE A  53
None
0.79A 4acaC-5fv5A:
undetectable
4acaC-5fv5A:
21.08
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.
5fx8 ZONADHESIN

(Komagataella
phaffii)
no annotation 4 ASP U 210
GLY U 262
THR U 265
ILE U 266
None
0.81A 4acaC-5fx8U:
undetectable
4acaC-5fx8U:
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.
5gam PRE-MRNA-SPLICING
FACTOR 8


(Saccharomyces
cerevisiae)
PF08082
(PRO8NT)
PF08083
(PROCN)
4 GLY A 665
THR A 664
ILE A 660
THR A 718
None
0.84A 4acaC-5gamA:
undetectable
4acaC-5gamA:
20.79
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.
5got LOW MOLECULAR WEIGHT
PHOSPHOTYROSINE
PHOSPHATASE FAMILY
PROTEIN


(Streptococcus
pyogenes)
PF01451
(LMWPc)
4 ASP A 121
GLY A  50
THR A  51
ILE A  54
None
0.86A 4acaC-5gotA:
4.3
4acaC-5gotA:
14.32
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.
5h0i ASPARAGINYL
ENDOPEPTIDASE


(Oldenlandia
affinis)
PF01650
(Peptidase_C13)
4 ASP A 130
GLY A 154
THR A 153
ILE A 152
None
0.82A 4acaC-5h0iA:
2.5
4acaC-5h0iA:
23.19
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica)
PF00026
(Asp)
4 ASP A  35
GLY A 124
ILE A 122
THR A 220
61P  A 406 (-2.7A)
None
None
None
0.73A 4acaC-5hctA:
undetectable
4acaC-5hctA:
22.65
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.
5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE


(Rhodopseudomonas
palustris)
PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N)
4 SER A  50
GLY A  53
THR A  54
THR A 107
None
0.75A 4acaC-5hqlA:
2.4
4acaC-5hqlA:
22.03
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.
5i6v TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11


(Homo sapiens)
PF00017
(SH2)
PF00102
(Y_phosphatase)
4 GLY A  13
THR A  12
ILE A  11
THR A  22
None
0.69A 4acaC-5i6vA:
undetectable
4acaC-5i6vA:
23.32
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.
5iq9 10E8V4 HEAVY CHAIN
GP41 MPER PEPTIDE


(Homo sapiens;
Human
immunodeficiency
virus 1)
PF07654
(C1-set)
PF07686
(V-set)
PF00517
(GP41)
4 GLY A  96
THR A  95
THR C 676
PHE C 673
None
0.88A 4acaC-5iq9A:
undetectable
4acaC-5iq9A:
19.41
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.
5irb RTX-ADHESIN

(Marinomonas
primoryensis)
no annotation 4 ASP A 329
GLY A 381
THR A 382
ILE A 295
None
0.96A 4acaC-5irbA:
undetectable
4acaC-5irbA:
21.15
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.
5k1s OXIDOREDUCTASE,
ZINC-BINDING
DEHYDROGENASE FAMILY


(Myxococcus
xanthus)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 GLY A 174
THR A 173
ILE A 172
THR A 153
None
0.75A 4acaC-5k1sA:
2.7
4acaC-5k1sA:
23.21
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.
5kdj F5/8 TYPE C DOMAIN
PROTEIN


(Clostridium
perfringens)
no annotation 4 GLY B 525
THR B 524
ILE B 523
PHE B 664
None
0.83A 4acaC-5kdjB:
undetectable
4acaC-5kdjB:
24.06
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.
5kds F5/8 TYPE C DOMAIN
PROTEIN


(Clostridium
perfringens)
PF13402
(Peptidase_M60)
4 GLY A 525
THR A 524
ILE A 523
PHE A 664
None
EDO  A1104 ( 4.3A)
None
None
0.84A 4acaC-5kdsA:
undetectable
4acaC-5kdsA:
23.41
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.
5l3r CELL DIVISION
PROTEIN FTSY
HOMOLOG,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF00448
(SRP54)
PF02881
(SRP54_N)
4 GLY B 314
THR B 313
ILE B 312
THR B 255
None
0.87A 4acaC-5l3rB:
8.3
4acaC-5l3rB:
24.21
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.
5nvm EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4E
TYPE 2


(Homo sapiens)
PF01652
(IF4E)
4 ASP A 112
GLY A 109
THR A 108
PHE A 113
None
0.87A 4acaC-5nvmA:
undetectable
4acaC-5nvmA:
18.02
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.
5opj RHAMNOGALACTURONAN
LYASE


(Bacteroides
thetaiotaomicron)
no annotation 4 ASP A 227
GLY A 174
THR A 171
PHE A 225
None
0.76A 4acaC-5opjA:
undetectable
4acaC-5opjA:
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica)
PF00026
(Asp)
4 ASP A  35
GLY A 124
ILE A 122
THR A 220
None
0.73A 4acaC-5p60A:
undetectable
4acaC-5p60A:
22.09
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.
5t38 EVDMO1

(Micromonospora
carbonacea)
PF13847
(Methyltransf_31)
4 ASP A  68
GLY A  82
ILE A  80
PHE A  48
SAH  A 301 ( 4.8A)
None
None
None
0.92A 4acaC-5t38A:
2.5
4acaC-5t38A:
22.02
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.
5utu ADENOSYLHOMOCYSTEINA
SE


(Cryptosporidium
parvum)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
4 ASP A 140
GLY A  50
THR A  49
ILE A 134
None
0.87A 4acaC-5utuA:
2.9
4acaC-5utuA:
22.95
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.
5wjp CYCLOHEXADIENYL
DEHYDRATASE


(Candidatus
Pelagibacter
ubique)
PF00497
(SBP_bac_3)
4 GLY A  28
THR A  29
ILE A  75
THR A 103
None
0.95A 4acaC-5wjpA:
undetectable
4acaC-5wjpA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x94 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11


(Homo sapiens)
PF00017
(SH2)
4 GLY A  13
THR A  12
ILE A  11
THR A  22
None
0.83A 4acaC-5x94A:
undetectable
4acaC-5x94A:
18.79
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA


(Komagataella
phaffii)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
4 GLY B 888
THR B 889
ILE B 910
THR B 882
None
0.94A 4acaC-5xogB:
undetectable
4acaC-5xogB:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xrf SNAKE VENOM SERINE
PROTEASE DA-36


(Deinagkistrodon
acutus)
no annotation 4 ASP A 205
GLY A  54
THR A  55
THR A 201
None
0.86A 4acaC-5xrfA:
undetectable
4acaC-5xrfA:
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.
6c08 ANTIBODY FAB LIGHT
CHAIN


(Mus musculus)
no annotation 4 GLY B  71
THR B  30
ILE B  29
PHE B  37
None
0.95A 4acaC-6c08B:
undetectable
4acaC-6c08B:
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.
6gng -

(-)
no annotation 4 GLY A 298
ILE A 299
THR A 539
PHE A 536
None
0.87A 4acaC-6gngA:
6.1
4acaC-6gngA:
undetectable