SIMILAR PATTERNS OF AMINO ACIDS FOR 5CFS_A_TOYA203_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dqu ISOCITRATE LYASE

(Aspergillus
nidulans) 		PF00463
(ICL) 		4 ASP A 198
ASP A 245
GLU A 247
TYR A 422
 None
 1.07A 5cfsA-1dquA:
0.0		 5cfsA-1dquA:
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.
1fcu HYALURONOGLUCOSAMINI
DASE

(Apis mellifera) 		PF01630
(Glyco_hydro_56) 		4 ASP A 210
GLU A 208
ILE A 118
TYR A 190
 None
 0.98A 5cfsA-1fcuA:
0.0		 5cfsA-1fcuA:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ASP B 335
TYR B 205
ASP B 310
ASP B 145
 None
 0.84A 5cfsA-1ffvB:
0.0		 5cfsA-1ffvB:
13.24
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.
1igy IGG1 INTACT ANTIBODY
MAB61.1.3

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP B  85
ASP B  86
ILE B  80
TYR B  59
 None
 1.05A 5cfsA-1igyB:
0.0		 5cfsA-1igyB:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j6r METHIONINE SYNTHASE

(Thermotoga
maritima) 		no annotation 4 ASP A 134
GLU A 127
ILE A 190
TYR A 154
 None
 1.01A 5cfsA-1j6rA:
undetectable		 5cfsA-1j6rA:
25.22
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		4 ASP A 293
ASP A 292
GLU A 257
ASP A 178
 PRH  A 401 (-3.5A)
PRH  A 401 ( 2.5A)
None
None
 0.95A 5cfsA-1krmA:
0.0		 5cfsA-1krmA:
21.23
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.
1mg7 EARLY SWITCH PROTEIN
XOL-1 2.2K SPLICE
FORM

(Caenorhabditis
elegans) 		PF09108
(Xol-1_N)
PF09109
(Xol-1_GHMP-like) 		4 ASP A  90
ASP A  89
GLU A 118
ILE A  75
 None
 0.90A 5cfsA-1mg7A:
0.0		 5cfsA-1mg7A:
18.11
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.
1ml4 ASPARTATE
TRANSCARBAMOYLASE

(Pyrococcus
abyssi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ASP A 272
TYR A 241
ASP A 163
TYR A 166
 None
 1.04A 5cfsA-1ml4A:
0.0		 5cfsA-1ml4A:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pww LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		4 ASP A 456
ASP A 459
GLU A 541
ILE A 534
 None
 0.75A 5cfsA-1pwwA:
0.0		 5cfsA-1pwwA:
11.17
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.
1rkq HYPOTHETICAL PROTEIN
YIDA

(Escherichia
coli) 		PF08282
(Hydrolase_3) 		4 ASP A 221
ASP A  10
ASP A 225
ILE A  68
 MG  A1273 (-2.6A)
MG  A1273 ( 2.6A)
MG  A1273 ( 4.4A)
None
 1.07A 5cfsA-1rkqA:
undetectable		 5cfsA-1rkqA:
21.03
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.
1ru4 PECTATE LYASE

(Dickeya
chrysanthemi) 		PF13229
(Beta_helix) 		4 ASP A 234
ASP A 209
ASP A 237
GLU A 180
 CA  A   1 (-3.4A)
CA  A   1 (-2.2A)
CA  A   1 (-3.4A)
None
 1.03A 5cfsA-1ru4A:
undetectable		 5cfsA-1ru4A:
15.84
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.
1u02 TREHALOSE-6-PHOSPHAT
E PHOSPHATASE
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF02358
(Trehalose_PPase) 		4 ASP A 179
ASP A   7
ASP A 183
ILE A  63
 MG  A 240 (-2.5A)
MG  A 240 (-2.5A)
MG  A 240 ( 4.5A)
None
 1.03A 5cfsA-1u02A:
undetectable		 5cfsA-1u02A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u7p MAGNESIUM-DEPENDENT
PHOSPHATASE-1

(Mus musculus) 		PF12689
(Acid_PPase) 		4 ASP A 123
ASP A  11
ASP A 122
TYR A  96
 MG  A 501 (-2.7A)
MG  A 501 ( 2.6A)
MG  A 501 ( 4.4A)
None
 1.07A 5cfsA-1u7pA:
undetectable		 5cfsA-1u7pA:
23.28
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.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		4 ASP A  60
ASP A  63
ILE A  71
ASP A  52
 None
 0.96A 5cfsA-1uc4A:
undetectable		 5cfsA-1uc4A:
16.88
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.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		4 ASP A 296
ASP A 295
GLU A 260
ASP A 181
 HPR  A 353 (-2.6A)
HPR  A 353 ( 2.5A)
None
None
 0.84A 5cfsA-1uioA:
undetectable		 5cfsA-1uioA:
20.11
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.
1wmr ISOPULLULANASE

(Aspergillus
niger) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		5 ASP A 372
ASP A 353
TYR A 378
ASP A 373
ASP A 326
 None
 1.34A 5cfsA-1wmrA:
undetectable		 5cfsA-1wmrA:
15.10
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.
1wzc MANNOSYL-3-PHOSPHOGL
YCERATE PHOSPHATASE

(Pyrococcus
horikoshii) 		PF08282
(Hydrolase_3) 		4 ASP A   8
ASP A 208
ASP A 204
TYR A 172
 MG  A 300 ( 2.5A)
MG  A 300 ( 4.4A)
MG  A 300 (-2.7A)
None
 1.00A 5cfsA-1wzcA:
undetectable		 5cfsA-1wzcA:
21.67
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.
1xq9 PHOSPHOGLYCERATE
MUTASE

(Plasmodium
falciparum) 		PF00300
(His_Phos_1) 		4 TYR A 224
ASP A 204
ILE A 233
TYR A 236
 None
 0.99A 5cfsA-1xq9A:
undetectable		 5cfsA-1xq9A:
24.52
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		4 ASP A 357
ASP A  42
ILE A 110
ASP A  91
 ZN  A 902 (-2.3A)
ZN  A 902 ( 2.1A)
None
SEP  A  92 (-3.2A)
 0.95A 5cfsA-1zefA:
undetectable		 5cfsA-1zefA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		4 ASP A 324
ASP A 323
GLU A 288
ASP A 211
 None
CO  A1000 (-2.7A)
None
None
 0.88A 5cfsA-2amxA:
undetectable		 5cfsA-2amxA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eb0 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 ASP A  66
ASP A  13
GLU A  38
ILE A 183
 MN  A 502 ( 2.6A)
MN  A 502 (-3.2A)
None
None
 0.97A 5cfsA-2eb0A:
undetectable		 5cfsA-2eb0A:
21.17
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.
2fvz INOSITOL
MONOPHOSPHATASE 2

(Homo sapiens) 		PF00459
(Inositol_P) 		4 ASP A 231
ASP A 104
ASP A 101
ILE A  34
 None
 0.83A 5cfsA-2fvzA:
undetectable		 5cfsA-2fvzA:
21.82
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.
2hv2 HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 TYR A 169
ASP A 395
GLU A 227
ILE A 215
 None
 1.01A 5cfsA-2hv2A:
undetectable		 5cfsA-2hv2A:
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.
2j4e INOSINE TRIPHOSPHATE
PYROPHOSPHATASE

(Homo sapiens) 		PF01725
(Ham1p_like) 		4 ASP A 148
GLU A  22
ASP A 152
TYR A 164
 None
ITT  A1001 ( 4.5A)
ITT  A1001 (-3.0A)
None
 0.90A 5cfsA-2j4eA:
undetectable		 5cfsA-2j4eA:
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.
2ohw YUEI PROTEIN

(Bacillus
subtilis) 		PF07997
(DUF1694) 		4 ASP A 123
TYR A  51
ASP A 122
GLU A  53
 None
 0.87A 5cfsA-2ohwA:
undetectable		 5cfsA-2ohwA:
19.90
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.
2qfl INOSITOL-1-MONOPHOSP
HATASE

(Escherichia
coli) 		PF00459
(Inositol_P) 		4 ASP A 212
ASP A  87
ASP A  84
ILE A  19
 EEE  A 376 ( 4.7A)
EEE  A 376 (-2.7A)
None
None
 1.01A 5cfsA-2qflA:
undetectable		 5cfsA-2qflA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		4 ASP A1022
ASP A1021
ASP A1023
ILE A 975
 CA  A  15 (-3.1A)
CA  A  13 (-2.4A)
CA  A  15 ( 2.5A)
None
 1.01A 5cfsA-2rhpA:
undetectable		 5cfsA-2rhpA:
13.64
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.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		4 TYR A 527
ASP A 522
ILE A 490
TYR A 487
 None
 1.04A 5cfsA-2vsaA:
undetectable		 5cfsA-2vsaA:
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.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 ASP A  12
ASP A  11
ASP A  13
ILE A 218
 None
 0.96A 5cfsA-2vw8A:
undetectable		 5cfsA-2vw8A:
20.32
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.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		4 ASP A 213
TYR A 240
ASP A 209
ILE A 220
 None
 1.04A 5cfsA-2whlA:
undetectable		 5cfsA-2whlA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		4 TYR A 352
ASP A 338
ILE A 343
ASP A 358
 None
 0.88A 5cfsA-2xd3A:
undetectable		 5cfsA-2xd3A:
18.00
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.
2xi7 RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF15518
(L_protein_N) 		4 ASP A  79
TYR A 109
ASP A  92
ILE A  58
 MN  A1184 (-2.6A)
None
MN  A1184 ( 2.7A)
None
 1.04A 5cfsA-2xi7A:
undetectable		 5cfsA-2xi7A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9g PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrobaculum
aerophilum) 		PF07995
(GSDH) 		4 ASP A 339
ASP A 338
TYR A  59
ASP A 337
 None
 0.94A 5cfsA-3a9gA:
undetectable		 5cfsA-3a9gA:
20.48
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.
3alf CHITINASE, CLASS V

(Nicotiana
tabacum) 		PF00704
(Glyco_hydro_18) 		4 ASP A 262
TYR A 236
ASP A 263
ILE A 300
 None
 1.05A 5cfsA-3alfA:
undetectable		 5cfsA-3alfA:
20.06
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.
3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00459
(Inositol_P) 		4 ASP A 224
ASP A  84
ASP A  81
ILE A  14
 None
SO4  A 269 ( 4.2A)
None
None
 0.99A 5cfsA-3b8bA:
undetectable		 5cfsA-3b8bA:
23.57
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.
3cg4 RESPONSE REGULATOR
RECEIVER DOMAIN
PROTEIN (CHEY-LIKE)

(Methanospirillum
hungatei) 		PF00072
(Response_reg) 		4 ASP A  13
ASP A  56
ASP A  12
ILE A 106
 MG  A 201 (-2.9A)
MG  A 201 (-2.6A)
MG  A 201 ( 4.2A)
None
 1.04A 5cfsA-3cg4A:
undetectable		 5cfsA-3cg4A:
20.94
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.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 ASP A 546
ASP A 542
ILE A 555
TYR A 578
 None
 1.04A 5cfsA-3ciaA:
undetectable		 5cfsA-3ciaA:
16.69
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.
3efa PUTATIVE
ACETYLTRANSFERASE

(Lactobacillus
plantarum) 		PF13673
(Acetyltransf_10) 		4 ASP A  36
ASP A  39
GLU A  34
ILE A  29
 None
None
GOL  A 205 (-3.2A)
None
 0.98A 5cfsA-3efaA:
undetectable		 5cfsA-3efaA:
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.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		4 ASP A 112
GLU A 140
ASP A 224
TYR A 225
 None
 0.97A 5cfsA-3eshA:
undetectable		 5cfsA-3eshA:
18.57
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		4 ASP A 310
ASP A 309
GLU A 274
ASP A 197
 MCF  A 372 (-2.9A)
MCF  A 372 ( 2.4A)
None
None
 0.93A 5cfsA-3ewdA:
undetectable		 5cfsA-3ewdA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g4f (+)-DELTA-CADINENE
SYNTHASE ISOZYME XC1

(Gossypium
arboreum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ASP A 311
ASP A 307
ASP A 308
ILE A 300
 MG  A 605 ( 2.9A)
MG  A 604 (-2.2A)
None
None
 1.01A 5cfsA-3g4fA:
2.2		 5cfsA-3g4fA:
19.52
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		4 ASP A 266
TYR A 249
ASP A 263
TYR A 242
 None
None
EDO  A 300 (-4.8A)
T8N  A 309 ( 4.2A)
 0.92A 5cfsA-3g5tA:
undetectable		 5cfsA-3g5tA:
16.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7g UPF0311 PROTEIN
CA_C3321

(Clostridium
acetobutylicum) 		PF11578
(DUF3237) 		4 ASP A  82
TYR A 131
ASP A  83
ILE A  79
 None
 0.94A 5cfsA-3g7gA:
undetectable		 5cfsA-3g7gA:
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.
3gyg NTD BIOSYNTHESIS
OPERON PUTATIVE
HYDROLASE NTDB

(Bacillus
subtilis) 		PF05116
(S6PP) 		4 ASP A 232
ASP A  25
ASP A 236
ILE A 212
 MG  A 301 (-2.7A)
MG  A 301 (-2.6A)
MG  A 301 ( 4.3A)
None
 1.01A 5cfsA-3gygA:
undetectable		 5cfsA-3gygA:
18.77
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.
3h4l DNA MISMATCH REPAIR
PROTEIN PMS1

(Saccharomyces
cerevisiae) 		PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3) 		4 ASP A  68
TYR A 210
ASP A  64
ILE A 217
 None
 0.86A 5cfsA-3h4lA:
undetectable		 5cfsA-3h4lA:
16.71
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.
3i4e ISOCITRATE LYASE

(Burkholderia
pseudomallei) 		PF00463
(ICL) 		4 ASP A 184
ASP A 231
GLU A 233
TYR A 313
 None
 0.93A 5cfsA-3i4eA:
undetectable		 5cfsA-3i4eA:
16.93
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.
3jug BETA-MANNANASE

(Bacillus sp.
N16-5) 		PF00150
(Cellulase) 		4 ASP A 244
TYR A 271
ASP A 240
ILE A 251
 None
 1.03A 5cfsA-3jugA:
undetectable		 5cfsA-3jugA:
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.
3kzx HAD-SUPERFAMILY
HYDROLASE, SUBFAMILY
IA, VARIANT 1

(Ehrlichia
chaffeensis) 		PF13419
(HAD_2) 		4 ASP A 168
ASP A 164
ASP A  10
TYR A  68
 None
 1.04A 5cfsA-3kzxA:
undetectable		 5cfsA-3kzxA:
23.53
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		4 ASP A 416
ASP A 415
GLU A 380
ASP A 297
 CFE  A 513 (-2.8A)
CFE  A 513 ( 2.8A)
None
None
 0.93A 5cfsA-3lggA:
undetectable		 5cfsA-3lggA:
16.17
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.
3n28 PHOSPHOSERINE
PHOSPHATASE

(Vibrio cholerae) 		PF00702
(Hydrolase) 		4 ASP A 269
ASP A 113
ASP A 273
ILE A 249
 None
 1.05A 5cfsA-3n28A:
undetectable		 5cfsA-3n28A:
21.67
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.
3n9t PNPC

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 ASP A 266
TYR A 133
ASP A 268
TYR A 259
 None
 1.02A 5cfsA-3n9tA:
undetectable		 5cfsA-3n9tA:
19.60
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.
3ppu GLUTATHIONE-S-TRANSF
ERASE

(Phanerochaete
chrysosporium) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 TYR A 199
ASP A 208
GLU A 265
ILE A 178
 None
 0.96A 5cfsA-3ppuA:
0.8		 5cfsA-3ppuA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		4 ASP A 702
ASP A 351
ASP A 706
ILE A 686
 MG  A1005 (-2.2A)
ACP  A1001 ( 2.3A)
MG  A1005 ( 4.7A)
None
 1.05A 5cfsA-3tlmA:
undetectable		 5cfsA-3tlmA:
10.69
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.
3vgj TYROSYL-TRNA
SYNTHETASE, PUTATIVE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		4 ASP A 261
TYR A 119
ASP A 260
TYR A 369
 None
 0.91A 5cfsA-3vgjA:
2.1		 5cfsA-3vgjA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zty MANNOSYL-3-PHOSPHOGL
YCERATE PHOSPHATASE

(Thermus
thermophilus) 		PF08282
(Hydrolase_3) 		4 ASP A 202
ASP A   6
ASP A 206
ILE A  56
 GD  A 261 (-2.4A)
GD  A 261 ( 2.9A)
None
None
 1.05A 5cfsA-3ztyA:
undetectable		 5cfsA-3ztyA:
27.87
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.
4as5 INOSITOL
MONOPHOSPHATASE 1

(Mus musculus) 		PF00459
(Inositol_P) 		4 ASP A 220
ASP A  93
ASP A  90
ILE A  23
 MG  A 502 ( 2.9A)
MG  A 502 ( 3.0A)
MG  A 502 (-2.4A)
None
 0.96A 5cfsA-4as5A:
undetectable		 5cfsA-4as5A:
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ASP A1028
ASP A1069
ASP A1064
ILE A1126
 GOL  A2792 (-3.4A)
GOL  A2792 (-3.7A)
None
None
 0.97A 5cfsA-4aygA:
2.0		 5cfsA-4aygA:
10.90
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.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 ASP A 363
GLU A 357
ILE A 299
ASP A 604
 None
 0.64A 5cfsA-4bziA:
2.0		 5cfsA-4bziA:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d6y BACTERIAL
REGULATORY, FIS
FAMILY PROTEIN

(Brucella
abortus) 		PF00072
(Response_reg) 		4 ASP A  10
ASP A  53
ASP A   9
ILE A 103
 MG  A1126 (-2.6A)
BEF  A1125 ( 2.2A)
MG  A1126 ( 4.1A)
None
 1.01A 5cfsA-4d6yA:
undetectable		 5cfsA-4d6yA:
24.61
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.
4emb 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Borreliella
burgdorferi) 		PF00300
(His_Phos_1) 		4 TYR A 219
ASP A 199
ILE A 228
TYR A 231
 None
 0.97A 5cfsA-4embA:
undetectable		 5cfsA-4embA:
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.
4fix UDP-GALACTOFURANOSYL
TRANSFERASE GLFT2

(Mycobacterium
tuberculosis) 		PF13641
(Glyco_tranf_2_3) 		4 ASP A 258
ASP A 257
TYR A 236
ASP A 256
 MN  A 704 (-2.3A)
None
None
MN  A 704 (-2.4A)
 1.05A 5cfsA-4fixA:
2.4		 5cfsA-4fixA:
13.39
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.
4fqu PUTATIVE GLUTATHIONE
TRANSFERASE

(Sphingobium
chlorophenolicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 TYR A 160
ASP A 169
GLU A 226
ILE A 142
 None
 0.98A 5cfsA-4fquA:
1.9		 5cfsA-4fquA:
19.11
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.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 ASP A 198
TYR A 526
GLU A 547
ILE A 558
 None
 0.97A 5cfsA-4fzhA:
undetectable		 5cfsA-4fzhA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hns CHEMOTAXIS PROTEIN
CHEY

(Vibrio cholerae) 		PF00072
(Response_reg) 		4 ASP A  16
ASP A  60
ASP A  15
ILE A 110
 MG  A 201 (-2.6A)
BEF  A 202 ( 2.0A)
MG  A 201 ( 4.3A)
None
 1.00A 5cfsA-4hnsA:
undetectable		 5cfsA-4hnsA:
24.18
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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		4 ASP A  11
TYR A 459
ILE A 188
ASP A 471
 None
 0.95A 5cfsA-4issA:
undetectable		 5cfsA-4issA:
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.
4pa1 INTEGRASE

(Feline
immunodeficiency
virus) 		PF00665
(rve) 		4 ASP A  66
ASP A 118
GLU A  94
ILE A  74
 None
 1.05A 5cfsA-4pa1A:
undetectable		 5cfsA-4pa1A:
20.33
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.
4phb UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF14262
(Cthe_2159) 		4 ASP A 244
ASP A 215
ASP A 247
GLU A 220
 GD  A 402 (-3.7A)
GD  A 402 (-2.4A)
GD  A 402 (-3.7A)
None
 0.94A 5cfsA-4phbA:
undetectable		 5cfsA-4phbA:
20.62
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.
4qxd 3'(2'),5'-BISPHOSPHA
TE NUCLEOTIDASE,
PUTATIVE

(Entamoeba
histolytica) 		PF00459
(Inositol_P) 		4 ASP A 223
ASP A 109
ASP A 106
ILE A  23
 MG  A 304 (-2.6A)
MG  A 304 ( 3.2A)
MG  A 302 (-2.4A)
None
 0.90A 5cfsA-4qxdA:
undetectable		 5cfsA-4qxdA:
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.
4rhm ARGINASE

(Trypanosoma
brucei) 		PF00491
(Arginase) 		4 ASP A 149
ASP A 226
ASP A 224
ASP A 237
 MN  A 402 (-2.5A)
MN  A 402 (-2.1A)
MN  A 402 (-3.0A)
None
 0.97A 5cfsA-4rhmA:
undetectable		 5cfsA-4rhmA:
18.94
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.
4uss GLUTATHIONYL
HYDROQUINONE
REDUCTASE

(Populus
trichocarpa) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 TYR A 168
ASP A 177
GLU A 234
ILE A 149
 None
 1.06A 5cfsA-4ussA:
undetectable		 5cfsA-4ussA:
21.88
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.
4wk5 GERANYLTRANSTRANSFER
ASE

(Thermotoga
neapolitana) 		PF00348
(polyprenyl_synt) 		4 ASP A 205
ASP A 201
TYR A 160
ASP A 202
 None
 0.79A 5cfsA-4wk5A:
1.0		 5cfsA-4wk5A:
21.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE

(Klebsiella
pneumoniae) 		PF10706
(Aminoglyc_resit) 		8 ASP A  44
ASP A  46
TYR A  74
ASP A  86
GLU A  88
ILE A  99
ASP A 131
TYR A 134
 MG  A 202 (-2.5A)
MG  A 201 (-2.4A)
KAN  A 203 (-3.8A)
KAN  A 203 ( 3.2A)
KAN  A 203 ( 2.6A)
GOL  A 213 ( 4.3A)
KAN  A 203 ( 2.7A)
KAN  A 203 (-3.8A)
 0.17A 5cfsA-4wqlA:
33.1		 5cfsA-4wqlA:
95.68
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.
4y0x SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16919
(PknG_rubred) 		4 ASP A 293
ASP A 276
TYR A 305
ILE A 317
 MG  A 504 (-2.3A)
None
None
None
 0.97A 5cfsA-4y0xA:
undetectable		 5cfsA-4y0xA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yru NEURONAL CALCIUM
SENSOR 1

(Rattus
norvegicus) 		PF00036
(EF-hand_1)
PF13499
(EF-hand_7) 		4 ASP A 161
ASP A 157
ILE A 152
TYR A 108
 CA  A 203 (-2.4A)
CA  A 203 (-3.3A)
None
None
 0.96A 5cfsA-4yruA:
undetectable		 5cfsA-4yruA:
16.75
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.
4yzi SENSORY OPSIN
A,ARCHAEAL-TYPE
OPSIN 2

(Chlamydomonas
reinhardtii) 		PF01036
(Bac_rhodopsin) 		4 ASP A  40
ASP A 142
TYR A 148
GLU A 143
 ZN  A 407 (-2.8A)
ZN  A 407 ( 2.3A)
None
None
 1.02A 5cfsA-4yziA:
undetectable		 5cfsA-4yziA:
20.20
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.
4zyo ACYL-COA DESATURASE

(Homo sapiens) 		no annotation 4 ASP A 325
ILE A 344
ASP A 307
TYR A 306
 None
 0.97A 5cfsA-4zyoA:
1.0		 5cfsA-4zyoA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bwj SENSORY TRANSDUCTION
HISTIDINE KINASE,
PUTATIVE

(Borreliella
burgdorferi) 		PF00497
(SBP_bac_3) 		4 TYR A 205
ASP A 202
ILE A 111
TYR A 144
 None
 0.95A 5cfsA-5bwjA:
undetectable		 5cfsA-5bwjA:
19.49
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.
5c0p ENDO-ARABINASE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		4 ASP A 161
TYR A 256
ASP A 230
ILE A 219
 TRS  A 409 (-2.8A)
None
TRS  A 409 (-3.3A)
None
 0.97A 5cfsA-5c0pA:
undetectable		 5cfsA-5c0pA:
20.71
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.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 ASP A 146
ASP A  95
GLU A 100
ASP A  49
 None
 1.06A 5cfsA-5cniA:
undetectable		 5cfsA-5cniA:
15.46
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.
5cy1 TRANSPOSON TN3
RESOLVASE

(Escherichia
coli) 		PF00239
(Resolvase)
PF02796
(HTH_7) 		4 ASP A  44
TYR A   6
ASP A  36
ILE A  20
 None
 1.02A 5cfsA-5cy1A:
undetectable		 5cfsA-5cy1A:
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.
5eeb ALDEHYDE
DEHYDROGENASE

(Pyrobaculum
ferrireducens) 		PF00171
(Aldedh) 		4 ASP A 264
ASP A 265
ILE A 261
ASP A 396
 None
 1.00A 5cfsA-5eebA:
undetectable		 5cfsA-5eebA:
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.
5f2h UNCHARACTERIZED
PROTEIN

(Bacillus cereus) 		PF02230
(Abhydrolase_2) 		4 ASP A  84
TYR A  18
ASP A  86
ILE A  30
 None
 1.02A 5cfsA-5f2hA:
undetectable		 5cfsA-5f2hA:
20.59
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.
5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 ASP A  38
ASP A  37
TYR A 150
ILE A 172
 CA  A1521 ( 2.8A)
CA  A1521 ( 3.2A)
None
None
 1.02A 5cfsA-5g2vA:
undetectable		 5cfsA-5g2vA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i3s INOSITOL
MONOPHOSPHATASE
FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00459
(Inositol_P) 		4 ASP A  83
ASP A 208
ASP A  86
GLU A 187
 None
None
None
PO4  A 301 (-2.7A)
 0.97A 5cfsA-5i3sA:
undetectable		 5cfsA-5i3sA:
20.29
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.
5i3s INOSITOL
MONOPHOSPHATASE
FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00459
(Inositol_P) 		4 ASP A 208
ASP A  86
ASP A  83
ILE A  18
 None
 0.95A 5cfsA-5i3sA:
undetectable		 5cfsA-5i3sA:
20.29
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ASP A  11
TYR A 459
ILE A 188
ASP A 471
 None
 0.93A 5cfsA-5i8iA:
2.4		 5cfsA-5i8iA:
7.37
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.
5icq METHYLOCYSTIS PARVUS
OBBP MBNE

(Methylocystis
parvus) 		PF00496
(SBP_bac_5) 		4 ASP A 409
ASP A 414
ILE A 469
TYR A 462
 None
 1.06A 5cfsA-5icqA:
1.9		 5cfsA-5icqA:
15.82
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.
5jnm MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Staphylococcus
aureus) 		no annotation 4 ASP A 353
TYR A 303
ASP A 354
ILE A 296
 None
 0.97A 5cfsA-5jnmA:
undetectable		 5cfsA-5jnmA:
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.
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF00386
(C1q)
PF01094
(ANF_receptor) 		4 ASP A 145
GLU A 547
ILE A 512
TYR A 324
 None
 0.96A 5cfsA-5kcaA:
undetectable		 5cfsA-5kcaA:
11.96
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.
5m77 ALPHA-1,6-MANNANASE

(Bacillus
circulans) 		PF03422
(CBM_6)
PF03663
(Glyco_hydro_76) 		4 ASP A 158
TYR A 204
ASP A 154
ILE A 211
 None
 1.05A 5cfsA-5m77A:
undetectable		 5cfsA-5m77A:
14.14
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.
5t3j INOSITOL
MONOPHOSPHATASE

(Medicago
truncatula) 		PF00459
(Inositol_P) 		4 ASP A 270
ASP A 149
ASP A 146
ILE A  81
 None
 1.07A 5cfsA-5t3jA:
undetectable		 5cfsA-5t3jA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		PF04095
(NAPRTase) 		4 ASP A 256
TYR A 281
GLU A 258
ILE A 290
 None
 1.05A 5cfsA-5u2nA:
undetectable		 5cfsA-5u2nA:
15.78
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.
5ukh UNCHARACTERIZED
PROTEIN

(Streptococcus
intermedius) 		no annotation 4 ASP A 454
ASP A 455
TYR A 282
ASP A 401
 CA  A 601 (-3.1A)
CA  A 601 (-2.3A)
None
CA  A 601 (-3.4A)
 1.04A 5cfsA-5ukhA:
1.1		 5cfsA-5ukhA:
21.10
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 ASP A 264
GLU A 335
ASP A 195
TYR A 191
 3PG  A 603 ( 4.9A)
EDO  A 604 (-2.8A)
None
None
 0.96A 5cfsA-5vpuA:
undetectable		 5cfsA-5vpuA:
19.12
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.
5xex POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
aureus) 		no annotation 4 ASP A 121
ASP A 123
GLU A 169
ILE A 162
 None
 0.96A 5cfsA-5xexA:
undetectable		 5cfsA-5xexA:
16.73
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.
5xog RNA POLYMERASE II
SUBUNIT B12.5
RNA POLYMERASE II
THIRD LARGEST
SUBUNIT B44, PART OF
CENTRAL CORE
RNA POLYMERASE
SUBUNIT ABC10-ALPHA
SPT4/5 COMPLEX
COMPONENT

(Komagataella
phaffii) 		PF00467
(KOW)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF03604
(DNA_RNApol_7kD)
PF13656
(RNA_pol_L_2) 		4 ASP C  46
ASP L  70
ILE W 789
ASP K   5
 None
 0.99A 5cfsA-5xogC:
undetectable		 5cfsA-5xogC:
21.57
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.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 4 ASP A 265
ASP A 262
ILE A 150
ASP A 189
 None
 0.62A 5cfsA-6ay4A:
1.3		 5cfsA-6ay4A:
18.76
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.
6b67 PROTEIN PHOSPHATASE
1A

(Homo sapiens) 		no annotation 4 ASP A  38
ASP A  60
GLU A 146
ASP A 243
 None
CA  A 302 ( 2.8A)
CA  A 303 ( 4.9A)
CA  A 303 (-2.5A)
 0.84A 5cfsA-6b67A:
undetectable		 5cfsA-6b67A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cj0 TREHALOSE
PHOSPHATASE

(Pseudomonas
aeruginosa) 		no annotation 4 ASP A 220
ASP A  11
ASP A 224
ILE A  84
 MG  A 301 (-2.9A)
MG  A 301 ( 2.3A)
MG  A 301 ( 4.6A)
None
 0.99A 5cfsA-6cj0A:
undetectable		 5cfsA-6cj0A:
19.57
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.
6ekg CHEMOTAXIS PROTEIN
CHEY

(Methanococcus
maripaludis) 		no annotation 4 ASP Y  12
ASP Y  57
ASP Y  11
ILE Y 105
 MG  Y 201 (-2.6A)
MG  Y 201 (-2.5A)
MG  Y 201 ( 4.5A)
None
 1.00A 5cfsA-6ekgY:
undetectable		 5cfsA-6ekgY:
19.21