SIMILAR PATTERNS OF AMINO ACIDS FOR 2YS6_A_GLYA431_0

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gso PROTEIN (GLYCINAMIDE
RIBONUCLEOTIDE
SYNTHETASE)

(Escherichia
coli) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 LYS A 216
TYR A 271
ARG A 290
GLY A 292
GLU A 295
 None
 0.83A 2ys6A-1gsoA:
53.0		 2ys6A-1gsoA:
54.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gso PROTEIN (GLYCINAMIDE
RIBONUCLEOTIDE
SYNTHETASE)

(Escherichia
coli) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 TYR A 271
ASN A 288
ARG A 290
GLY A 292
GLU A 295
 None
 0.74A 2ys6A-1gsoA:
53.0		 2ys6A-1gsoA:
54.69
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.
1i7o 4-HYDROXYPHENYLACETA
TE DEGRADATION
BIFUNCTIONAL
ISOMERASE/DECARBOXYL
ASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		4 ASP A 307
LYS A 325
GLY A 394
GLU A 278
 CA  A1001 (-3.3A)
CA  A1001 ( 4.0A)
CA  A1001 ( 4.7A)
CA  A1001 (-2.8A)
 0.88A 2ys6A-1i7oA:
undetectable		 2ys6A-1i7oA:
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.
1m6s L-ALLO-THREONINE
ALDOLASE

(Thermotoga
maritima) 		PF01212
(Beta_elim_lyase) 		4 ASP A  81
ASN A 107
GLY A 105
GLU A  79
 None
 1.07A 2ys6A-1m6sA:
2.4		 2ys6A-1m6sA:
21.43
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.
1nr9 PROTEIN YCGM

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		4 ASP A 101
LYS A 122
GLY A 191
GLU A  72
 MG  A 301 (-3.5A)
MG  A 301 (-3.2A)
None
MG  A 301 (-3.8A)
 0.88A 2ys6A-1nr9A:
undetectable		 2ys6A-1nr9A:
20.97
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.
1qqj FUMARYLACETOACETATE
HYDROLASE

(Mus musculus) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		4 ASP A 233
LYS A 253
GLY A 349
GLU A 201
 CA  A 420 (-3.6A)
CAC  A2004 ( 2.8A)
CA  A 420 ( 4.5A)
CA  A 420 (-3.2A)
 0.82A 2ys6A-1qqjA:
undetectable		 2ys6A-1qqjA:
24.55
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.
1saw HYPOTHETICAL PROTEIN
FLJ36880

(Homo sapiens) 		PF01557
(FAA_hydrolase) 		4 ASP A 102
LYS A 123
GLY A 191
GLU A  73
 MG  A 225 (-3.2A)
MG  A 225 (-3.6A)
MG  A 225 ( 4.6A)
MG  A 225 (-2.7A)
 0.81A 2ys6A-1sawA:
undetectable		 2ys6A-1sawA:
20.57
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.
1sq5 PANTOTHENATE KINASE

(Escherichia
coli) 		PF00485
(PRK) 		4 ASP A1127
TYR A1151
ASN A1202
GLY A1146
 PAU  A6001 (-2.9A)
None
None
PAU  A6001 (-3.3A)
 1.02A 2ys6A-1sq5A:
undetectable		 2ys6A-1sq5A:
22.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vkz PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermotoga
maritima) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		6 ASP A 204
TYR A 259
ASN A 275
ARG A 277
GLY A 279
GLU A 282
 None
 1.08A 2ys6A-1vkzA:
45.3		 2ys6A-1vkzA:
39.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vkz PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermotoga
maritima) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		6 TYR A 259
ASN A 275
ARG A 277
GLY A 279
PRO A 281
GLU A 282
 None
 0.71A 2ys6A-1vkzA:
45.3		 2ys6A-1vkzA:
39.11
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.
1wzo HPCE

(Thermus
thermophilus) 		PF01557
(FAA_hydrolase) 		4 ASP A 128
LYS A 146
GLY A 214
GLU A  99
 NA  A1007 (-3.1A)
NA  A1007 (-3.4A)
NA  A1007 ( 4.5A)
NA  A1007 (-2.6A)
 0.90A 2ys6A-1wzoA:
undetectable		 2ys6A-1wzoA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bac PUTATIVE
AMINOOXIDASE

(Cutibacterium
acnes) 		PF01593
(Amino_oxidase) 		4 ASP A 417
TYR A 134
ASN A 135
GLY A 132
 None
 0.70A 2ys6A-2bacA:
3.0		 2ys6A-2bacA:
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.
2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE

(Thermus
thermophilus) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		4 ASP A 145
LYS A 162
GLY A 228
GLU A 116
 None
 0.88A 2ys6A-2dfuA:
undetectable		 2ys6A-2dfuA:
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.
2dzd PYRUVATE CARBOXYLASE

(Geobacillus
thermodenitrificans) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LYS A 242
ASN A 294
ARG A 296
GLU A 300
 None
 0.88A 2ys6A-2dzdA:
27.3		 2ys6A-2dzdA:
25.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e8y AMYX PROTEIN

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 ARG A  92
GLY A 355
PRO A 354
GLU A 350
 None
 0.94A 2ys6A-2e8yA:
undetectable		 2ys6A-2e8yA:
21.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ip4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermus
thermophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		6 ASP A 207
TYR A 263
ASN A 279
ARG A 281
GLY A 283
PRO A 285
 None
None
None
SO4  A 418 (-2.9A)
None
None
 0.60A 2ys6A-2ip4A:
53.6		 2ys6A-2ip4A:
50.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ip4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermus
thermophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ASP A 207
TYR A 263
GLY A 283
PRO A 285
GLU A 286
 None
 0.79A 2ys6A-2ip4A:
53.6		 2ys6A-2ip4A:
50.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ip4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermus
thermophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 LYS A 209
TYR A 263
ASN A 279
ARG A 281
GLY A 283
 None
None
None
SO4  A 418 (-2.9A)
None
 0.73A 2ys6A-2ip4A:
53.6		 2ys6A-2ip4A:
50.55
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.
2j7n RNA-DEPENDENT RNA
POLYMERASE

(Neurospora
crassa) 		PF05183
(RdRP) 		4 TYR A 762
ASN A 708
GLY A 712
GLU A 760
 None
 0.98A 2ys6A-2j7nA:
undetectable		 2ys6A-2j7nA:
17.48
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.
2jls SERINE PROTEASE
SUBUNIT NS3

(Dengue virus) 		PF07652
(Flavi_DEAD) 		4 LYS A 199
ARG A 460
GLY A 414
GLU A 285
 ADP  A1620 (-2.7A)
None
None
MN  A1619 (-2.9A)
 1.05A 2ys6A-2jlsA:
undetectable		 2ys6A-2jlsA:
22.66
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.
2kk6 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FER

(Homo sapiens) 		PF00017
(SH2) 		4 TYR A  51
GLY A  49
PRO A  48
GLU A  43
 None
 0.94A 2ys6A-2kk6A:
undetectable		 2ys6A-2kk6A:
13.94
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.
2ool SENSOR PROTEIN

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 216
TYR A 185
GLY A 193
PRO A 213
 LBV  A 400 (-4.0A)
LBV  A 400 ( 4.6A)
None
None
 1.00A 2ys6A-2oolA:
undetectable		 2ys6A-2oolA:
21.75
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.
2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE

(Sulfolobus
solfataricus) 		PF01557
(FAA_hydrolase) 		4 ASP X 164
LYS X 182
GLY X 255
GLU X 145
 MG  X 294 ( 3.0A)
DO4  X 897 ( 2.8A)
DO4  X 897 (-3.1A)
MG  X 294 ( 2.7A)
 0.94A 2ys6A-2q1dX:
undetectable		 2ys6A-2q1dX:
21.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3

(Homo sapiens) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		6 ASP A 217
LYS A 219
ARG A 292
GLY A 294
PRO A 296
GLU A 297
 None
None
SO4  A 701 (-4.1A)
None
None
None
 1.06A 2ys6A-2qk4A:
51.9		 2ys6A-2qk4A:
49.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3

(Homo sapiens) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		6 ASP A 217
LYS A 219
TYR A 274
ARG A 292
GLY A 294
GLU A 297
 None
None
None
SO4  A 701 (-4.1A)
None
None
 1.22A 2ys6A-2qk4A:
51.9		 2ys6A-2qk4A:
49.46
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.
2qm6 GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Helicobacter
pylori) 		PF01019
(G_glu_transpept) 		4 TYR B 433
ARG B 475
GLY B 473
PRO B 471
 GLU  B   1 (-4.3A)
None
GLU  B   1 (-3.6A)
GLU  B   1 ( 4.8A)
 1.07A 2ys6A-2qm6B:
undetectable		 2ys6A-2qm6B:
17.14
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		4 TYR A 719
ARG A 636
GLY A 270
PRO A 267
 None
 1.06A 2ys6A-2vcaA:
undetectable		 2ys6A-2vcaA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vea PHYTOCHROME-LIKE
PROTEIN CPH1

(Synechocystis
sp. PCC 6803) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 207
TYR A 176
GLY A 184
PRO A 204
 CYC  A1521 (-3.9A)
None
None
None
 0.93A 2ys6A-2veaA:
undetectable		 2ys6A-2veaA:
23.26
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.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 TYR A 235
ASN A  45
GLY A 211
GLU A 214
 None
 0.97A 2ys6A-2wd9A:
3.2		 2ys6A-2wd9A:
23.76
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.
2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF07652
(Flavi_DEAD) 		4 LYS A 199
ARG A 460
GLY A 414
GLU A 285
 ADP  A1619 ( 2.8A)
None
MN  A1620 ( 4.9A)
MN  A1620 (-2.5A)
 0.93A 2ys6A-2whxA:
undetectable		 2ys6A-2whxA:
22.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xd4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Bacillus
subtilis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		7 ASP A 212
TYR A 269
ASN A 285
ARG A 287
GLY A 289
PRO A 291
GLU A 292
 None
None
MG  A 451 (-2.8A)
MG  A 451 ( 4.9A)
None
None
None
 0.68A 2ys6A-2xd4A:
55.2		 2ys6A-2xd4A:
58.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xd4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Bacillus
subtilis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 LYS A 214
ASN A 285
ARG A 287
GLY A 289
PRO A 291
 MG  A 453 ( 3.5A)
MG  A 451 (-2.8A)
MG  A 451 ( 4.9A)
None
None
 0.97A 2ys6A-2xd4A:
55.2		 2ys6A-2xd4A:
58.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ys6 PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE

(Geobacillus
kaustophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		8 ASP A 212
LYS A 214
TYR A 269
ASN A 285
ARG A 287
GLY A 289
PRO A 291
GLU A 292
 GLY  A 431 (-3.5A)
GLY  A 431 ( 3.6A)
GLY  A 431 (-4.8A)
GLY  A 431 (-3.6A)
GLY  A 431 (-3.0A)
GLY  A 431 (-3.4A)
GLY  A 431 ( 4.8A)
GLY  A 431 (-3.1A)
 0.02A 2ys6A-2ys6A:
70.5		 2ys6A-2ys6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Aquifex
aeolicus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		7 ASP A 212
TYR A 269
ASN A 285
ARG A 287
GLY A 289
PRO A 291
GLU A 292
 None
None
None
PO4  A 645 (-3.3A)
None
None
None
 0.27A 2ys6A-2yw2A:
54.3		 2ys6A-2yw2A:
51.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Aquifex
aeolicus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 LYS A 214
ASN A 285
ARG A 287
GLY A 289
PRO A 291
 ATP  A 646 (-3.2A)
None
PO4  A 645 (-3.3A)
None
None
 1.14A 2ys6A-2yw2A:
54.3		 2ys6A-2yw2A:
51.46
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.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		4 TYR A 182
GLY A 248
PRO A 246
GLU A 184
 None
 1.00A 2ys6A-3a3iA:
undetectable		 2ys6A-3a3iA:
22.76
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.
3ayn RHODOPSIN

(Todarodes
pacificus) 		PF00001
(7tm_1) 		4 TYR A 134
ASN A 222
GLY A 138
PRO A 140
 None
 0.82A 2ys6A-3aynA:
undetectable		 2ys6A-3aynA:
20.42
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.
3e2i THYMIDINE KINASE

(Staphylococcus
aureus) 		PF00265
(TK) 		4 ARG A 154
GLY A 122
PRO A 124
GLU A 123
 None
 0.96A 2ys6A-3e2iA:
undetectable		 2ys6A-3e2iA:
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.
3e3m TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Ruegeria
pomeroyi) 		PF13377
(Peripla_BP_3) 		4 ASP A 133
ASN A 169
ARG A 204
GLY A 201
 None
 1.04A 2ys6A-3e3mA:
3.4		 2ys6A-3e3mA:
22.62
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.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 TYR A 677
ASN A 252
GLY A 253
GLU A 512
 None
 0.95A 2ys6A-3fedA:
undetectable		 2ys6A-3fedA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ibm CUPIN 2, CONSERVED
BARREL DOMAIN
PROTEIN

(Halorhodospira
halophila) 		PF07883
(Cupin_2) 		4 TYR A  58
GLY A 122
PRO A 120
GLU A  60
 None
 0.91A 2ys6A-3ibmA:
undetectable		 2ys6A-3ibmA:
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.
3ibr BACTERIOPHYTOCHROME

(Pseudomonas
aeruginosa) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 194
TYR A 163
GLY A 171
PRO A 191
 BLA  A 900 (-3.4A)
BLA  A 900 (-4.6A)
None
None
 0.85A 2ys6A-3ibrA:
undetectable		 2ys6A-3ibrA:
23.43
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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		4 ASP E 229
ARG E  97
GLY E 219
PRO E 231
 None
 0.96A 2ys6A-3kfuE:
undetectable		 2ys6A-3kfuE:
25.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE

(Ehrlichia
chaffeensis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ASN A 285
ARG A 287
GLY A 289
PRO A 291
GLU A 292
 None
 0.33A 2ys6A-3lp8A:
51.9		 2ys6A-3lp8A:
42.79
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.
3lzk FUMARYLACETOACETATE
HYDROLASE FAMILY
PROTEIN

(Sinorhizobium
meliloti) 		PF01557
(FAA_hydrolase) 		4 ASP A 170
LYS A 191
GLY A 263
GLU A 141
 CA  A 339 (-3.5A)
CA  A 339 ( 3.9A)
CA  A 339 ( 4.1A)
CA  A 339 (-3.0A)
 0.97A 2ys6A-3lzkA:
undetectable		 2ys6A-3lzkA:
27.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mjf PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Yersinia pestis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		6 ASP A 214
LYS A 216
ARG A  11
GLY A 292
PRO A 294
GLU A 295
 NA  A 513 ( 3.1A)
NA  A 513 (-3.5A)
None
None
NA  A 513 (-4.4A)
NA  A 513 (-2.6A)
 1.37A 2ys6A-3mjfA:
53.1		 2ys6A-3mjfA:
52.52
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.
3n3k UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 8

(Homo sapiens) 		PF00443
(UCH) 		4 LYS A 891
ASN A 815
GLY A 821
GLU A 882
 None
 0.98A 2ys6A-3n3kA:
undetectable		 2ys6A-3n3kA:
23.68
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.
3ncy ADIC

(Salmonella
enterica) 		PF13520
(AA_permease_2) 		4 TYR A  74
ASN A  90
GLY A  86
PRO A  83
 None
 0.81A 2ys6A-3ncyA:
undetectable		 2ys6A-3ncyA:
24.44
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.
3osq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Escherichia
coli;
Aequorea
victoria) 		PF01353
(GFP)
PF01547
(SBP_bac_1)
PF13416
(SBP_bac_8) 		4 ASP A 425
ASN A 420
GLY A 422
GLU A 172
 None
 0.94A 2ys6A-3osqA:
undetectable		 2ys6A-3osqA:
24.10
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.
3p2n 3,6-ANHYDRO-ALPHA-L-
GALACTOSIDASE

(Zobellia
galactanivorans) 		PF04616
(Glyco_hydro_43) 		4 ASP A 339
TYR A 258
GLY A 319
PRO A 338
 None
 0.91A 2ys6A-3p2nA:
undetectable		 2ys6A-3p2nA:
22.38
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.
3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE

(Mycobacterium
marinum) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		4 ASP A 148
LYS A 165
GLY A 231
GLU A 119
 ZN  A 266 (-3.1A)
EDO  A 268 (-3.1A)
EDO  A 268 ( 4.3A)
ZN  A 266 ( 2.5A)
 0.87A 2ys6A-3qdfA:
undetectable		 2ys6A-3qdfA:
21.48
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.
3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE

(Mycobacteroides
abscessus) 		PF01557
(FAA_hydrolase) 		4 ASP A 168
LYS A 193
GLY A 262
GLU A 139
 MG  A 400 (-3.6A)
MG  A 400 ( 4.2A)
MG  A 400 ( 4.8A)
MG  A 400 (-2.7A)
 1.04A 2ys6A-3r6oA:
undetectable		 2ys6A-3r6oA:
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.
3rr6 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacteroides
abscessus) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		4 ASP A 145
LYS A 162
GLY A 228
GLU A 116
 None
UNX  A 271 ( 3.2A)
None
None
 0.94A 2ys6A-3rr6A:
undetectable		 2ys6A-3rr6A:
22.44
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.
3s52 PUTATIVE
FUMARYLACETOACETATE
HYDROLASE FAMILY
PROTEIN

(Yersinia pestis) 		PF01557
(FAA_hydrolase) 		4 ASP A 101
LYS A 122
GLY A 190
GLU A  72
 None
SO4  A 219 (-3.1A)
None
None
 0.90A 2ys6A-3s52A:
undetectable		 2ys6A-3s52A:
19.15
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.
3v77 PUTATIVE
FUMARYLACETOACETATE
ISOMERASE/HYDROLASE

(Oleispira
antarctica) 		PF01557
(FAA_hydrolase) 		4 ASP A 100
LYS A 121
GLY A 191
GLU A  71
 ZN  A 301 ( 3.1A)
TAR  A 303 (-2.8A)
TAR  A 303 ( 3.8A)
ZN  A 301 ( 2.3A)
 0.91A 2ys6A-3v77A:
undetectable		 2ys6A-3v77A:
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LYS A 858
ASN A 912
ARG A 914
GLU A 918
 GOL  A1904 (-3.0A)
GOL  A1904 ( 4.3A)
GOL  A1904 ( 3.0A)
GOL  A1904 (-2.8A)
 0.90A 2ys6A-3va7A:
28.6		 2ys6A-3va7A:
18.27
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.
3wbb DIAMINOPIMELATE
DEHYDROGENASE

(Symbiobacterium
thermophilum) 		PF01408
(GFO_IDH_MocA)
PF16654
(DAPDH_C) 		4 TYR A  11
ARG A  35
PRO A  44
GLU A  45
 None
NAP  A 305 (-4.2A)
None
None
 1.04A 2ys6A-3wbbA:
5.0		 2ys6A-3wbbA:
27.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 ARG A  96
GLY A 362
PRO A 361
GLU A 357
 MTT  A 803 (-2.8A)
MTT  A 803 ( 4.0A)
MTT  A 803 (-4.2A)
MTT  A 803 (-3.9A)
 1.04A 2ys6A-3wdjA:
undetectable		 2ys6A-3wdjA:
19.94
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		4 ASP A 237
TYR A 260
ARG A 248
GLY A 261
 None
 0.97A 2ys6A-4aeeA:
undetectable		 2ys6A-4aeeA:
19.94
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.
4ak5 ANHYDRO-ALPHA-L-GALA
CTOSIDASE

(Bacteroides
plebeius) 		PF04616
(Glyco_hydro_43) 		4 ASP A 332
TYR A 251
GLY A 312
PRO A 331
 None
 0.96A 2ys6A-4ak5A:
undetectable		 2ys6A-4ak5A:
25.21
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.
4b0s DEAMIDASE-DEPUPYLASE
DOP

(Acidothermus
cellulolyticus) 		PF03136
(Pup_ligase) 		4 ASP A  94
ARG A 205
GLY A 153
GLU A  10
 ATP  A1501 (-3.9A)
None
None
None
 1.02A 2ys6A-4b0sA:
undetectable		 2ys6A-4b0sA:
21.83
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.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		4 TYR A 438
GLY A 436
PRO A 435
GLU A 432
 None
 1.03A 2ys6A-4bq4A:
undetectable		 2ys6A-4bq4A:
21.49
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.
4bwi PHYTOCHROME-LIKE
PROTEIN CPH2

(Synechocystis
sp.) 		PF00360
(PHY)
PF01590
(GAF) 		4 ASP A  79
TYR A  47
GLY A  55
PRO A  76
 CYC  A1422 (-4.0A)
CYC  A1422 (-4.2A)
None
None
 1.04A 2ys6A-4bwiA:
undetectable		 2ys6A-4bwiA:
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.
4dbh 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE

(Corynebacterium
glutamicum) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		4 ASP A 147
LYS A 164
GLY A 237
GLU A 118
 MG  A 401 ( 2.9A)
OXL  A 402 ( 2.5A)
OXL  A 402 (-3.6A)
MG  A 401 ( 2.6A)
 0.88A 2ys6A-4dbhA:
undetectable		 2ys6A-4dbhA:
25.90
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.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G

(Escherichia
coli) 		PF05175
(MTS) 		4 ASP A 316
LYS A 316
TYR A 346
PRO A 307
 None
None
None
SAM  A 401 (-4.0A)
 1.00A 2ys6A-4dcmA:
undetectable		 2ys6A-4dcmA:
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.
4e04 BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB1

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 203
TYR A 172
GLY A 180
PRO A 200
 LBV  A 400 (-3.8A)
LBV  A 400 (-4.4A)
None
None
 0.90A 2ys6A-4e04A:
undetectable		 2ys6A-4e04A:
22.68
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.
4ff5 GLYCOSYL HYDROLASE
25

(Streptococcus
pneumoniae) 		PF01183
(Glyco_hydro_25) 		4 ASP A 204
TYR A 127
ASN A 158
GLY A 160
 None
 1.03A 2ys6A-4ff5A:
undetectable		 2ys6A-4ff5A:
21.01
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.
4fno PEPTIDYL-TRNA
HYDROLASE

(Pseudomonas
aeruginosa) 		PF01195
(Pept_tRNA_hydro) 		4 TYR A  17
ASN A  12
GLY A  14
GLU A  16
 None
 0.99A 2ys6A-4fnoA:
undetectable		 2ys6A-4fnoA:
20.28
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.
4ghb HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF15283
(DUF4595) 		4 TYR A 142
GLY A 251
PRO A 253
GLU A 252
 None
None
GOL  A 413 ( 4.5A)
None
 0.97A 2ys6A-4ghbA:
undetectable		 2ys6A-4ghbA:
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.
4gox POLYKETIDE SYNTHASE

(Synechococcus
sp. PCC 7002) 		PF13469
(Sulfotransfer_3) 		4 ASP A 241
ARG A 252
GLY A  51
PRO A  53
 None
 0.93A 2ys6A-4goxA:
2.2		 2ys6A-4goxA:
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.
4ieg RNA-DEPENDENT RNA
POLYMERASE P2

(Pseudomonas
phage phi12) 		no annotation 4 LYS A 186
ASN A 319
GLY A 316
PRO A 312
 None
 1.06A 2ys6A-4iegA:
undetectable		 2ys6A-4iegA:
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.
4j6p LOW AFFINITY
IMMUNOGLOBULIN
EPSILON FC RECEPTOR

(Homo sapiens) 		PF00059
(Lectin_C) 		4 ASP A 270
GLY A 248
PRO A 250
GLU A 249
 None
 0.97A 2ys6A-4j6pA:
undetectable		 2ys6A-4j6pA:
18.39
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.
4mv3 BIOTIN CARBOXYLASE

(Haemophilus
influenzae) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LYS A 238
ASN A 290
ARG A 292
GLU A 296
 BCT  A 503 ( 3.8A)
ACP  A 501 (-3.9A)
BCT  A 503 (-2.7A)
BCT  A 503 (-3.4A)
 0.96A 2ys6A-4mv3A:
28.4		 2ys6A-4mv3A:
26.69
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.
4o01 BACTERIOPHYTOCHROME

(Deinococcus
radiodurans) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 207
TYR A 176
GLY A 184
PRO A 204
 LBV  A 600 (-3.4A)
None
None
None
 0.83A 2ys6A-4o01A:
undetectable		 2ys6A-4o01A:
23.09
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.
4our PHYTOCHROME B

(Arabidopsis
thaliana) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP B 307
TYR B 276
GLY B 284
PRO B 304
 2VO  B 707 (-3.9A)
2VO  B 707 (-4.1A)
None
None
 0.97A 2ys6A-4ourB:
undetectable		 2ys6A-4ourB:
20.98
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.
4pfz 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
DELTA-ISOMERASE

(Mycolicibacterium
smegmatis) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		4 ASP A 163
LYS A 180
GLY A 246
GLU A 134
 NA  A 301 (-3.4A)
NA  A 301 ( 4.0A)
NA  A 301 ( 4.4A)
NA  A 301 (-2.8A)
 0.94A 2ys6A-4pfzA:
undetectable		 2ys6A-4pfzA:
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.
4qku HYDROLASE

(Burkholderia
cenocepacia) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		4 ASP A 248
LYS A 268
GLY A 362
GLU A 216
 NA  A 501 (-3.4A)
SO4  A 503 ( 2.6A)
None
None
 1.03A 2ys6A-4qkuA:
undetectable		 2ys6A-4qkuA:
26.64
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.
4qku HYDROLASE

(Burkholderia
cenocepacia) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		4 ASP A 248
LYS A 268
GLY A 364
GLU A 216
 NA  A 501 (-3.4A)
SO4  A 503 ( 2.6A)
None
None
 0.89A 2ys6A-4qkuA:
undetectable		 2ys6A-4qkuA:
26.64
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.
4r6l BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB1

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 202
TYR A 171
GLY A 179
PRO A 199
 BLA  A 900 (-3.4A)
BLA  A 900 ( 4.1A)
None
None
 0.96A 2ys6A-4r6lA:
undetectable		 2ys6A-4r6lA:
23.12
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.
4r70 BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB2

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 216
TYR A 185
GLY A 193
PRO A 213
 BLA  A 900 (-3.6A)
BLA  A 900 ( 4.7A)
None
None
 1.04A 2ys6A-4r70A:
undetectable		 2ys6A-4r70A:
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.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LYS A 238
ASN A 290
ARG A 292
GLU A 296
 None
 0.96A 2ys6A-4rcnA:
27.4		 2ys6A-4rcnA:
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.
4rq9 PHOTORECEPTOR-HISTID
INE KINASE BPHP

(Stigmatella
aurantiaca) 		PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 208
TYR A 177
GLY A 185
PRO A 205
 BLA  A 401 (-3.6A)
BLA  A 401 ( 4.5A)
None
None
 0.83A 2ys6A-4rq9A:
undetectable		 2ys6A-4rq9A:
25.00
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.
4ww3 RHODOPSIN

(Todarodes
pacificus) 		PF00001
(7tm_1) 		4 TYR A 134
ASN A 222
GLY A 138
PRO A 140
 None
 0.76A 2ys6A-4ww3A:
undetectable		 2ys6A-4ww3A:
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.
4y4n PUTATIVE RIBOSE
1,5-BISPHOSPHATE
ISOMERASE

(Methanotorris
igneus) 		PF01946
(Thi4) 		4 TYR A 169
GLY A 220
PRO A 219
GLU A 216
 None
 1.02A 2ys6A-4y4nA:
3.5		 2ys6A-4y4nA:
28.33
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.
4y5f BACTERIOPHYTOCHROME

(Deinococcus
radiodurans) 		PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 207
TYR A 176
GLY A 184
PRO A 204
 LBV  A 401 (-3.9A)
LBV  A 401 (-4.4A)
None
None
 0.91A 2ys6A-4y5fA:
undetectable		 2ys6A-4y5fA:
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.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		4 ASN A 527
ARG A 339
PRO A 187
GLU A 188
 None
 1.01A 2ys6A-5ao0A:
undetectable		 2ys6A-5ao0A:
22.24
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		4 LYS A 327
ASN A 381
ARG A 383
GLU A 387
 None
 0.93A 2ys6A-5cslA:
25.2		 2ys6A-5cslA:
12.51
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 ASP A 804
ASN A 807
GLY A 843
PRO A 803
 None
 1.00A 2ys6A-5dmyA:
undetectable		 2ys6A-5dmyA:
19.34
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.
5g4x SH3 AND MULTIPLE
ANKYRIN REPEAT
DOMAINS PROTEIN 3

(Rattus
norvegicus) 		PF12796
(Ank_2)
PF16511
(FERM_f0) 		4 TYR A  87
GLY A  14
PRO A  16
GLU A  89
 None
None
EDO  A1354 ( 4.8A)
None
 1.03A 2ys6A-5g4xA:
undetectable		 2ys6A-5g4xA:
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.
5h80 CARBOXYLASE

(Deinococcus
radiodurans) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LYS A 235
ASN A 288
ARG A 290
GLU A 294
 None
 0.87A 2ys6A-5h80A:
27.0		 2ys6A-5h80A:
28.49
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.
5i5l BACTERIOPHYTOCHROME
PROTEIN

(Agrobacterium
fabrum) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ASP A 197
TYR A 166
GLY A 174
PRO A 194
 BLA  A 601 (-4.1A)
BLA  A 601 ( 4.2A)
None
None
 0.99A 2ys6A-5i5lA:
undetectable		 2ys6A-5i5lA:
24.39
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.
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 LYS A 858
ASN A 912
ARG A 914
GLU A 918
 None
 0.91A 2ys6A-5i8iA:
28.5		 2ys6A-5i8iA:
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT ALPHA

(Methylobacillus
flagellatus) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LYS A 236
ASN A 289
ARG A 291
GLU A 295
 None
 0.90A 2ys6A-5ks8A:
27.8		 2ys6A-5ks8A:
22.06
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.
5lly DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 4 ASP D 199
TYR D 168
GLY D 176
PRO D 196
 LBV  D 601 (-4.3A)
LBV  D 601 (-3.9A)
None
None
 0.96A 2ys6A-5llyD:
undetectable		 2ys6A-5llyD:
22.28
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.
5ta9 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF04616
(Glyco_hydro_43) 		4 ASP A 332
TYR A 251
GLY A 312
PRO A 331
 None
 0.90A 2ys6A-5ta9A:
undetectable		 2ys6A-5ta9A:
25.15
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.
5ti1 FUMARYLACETOACETATE
HYDROLASE

(Paraburkholderia
xenovorans) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		4 ASP A 252
LYS A 272
GLY A 368
GLU A 220
 NA  A 502 ( 3.3A)
MG  A 501 ( 3.3A)
MG  A 501 ( 4.7A)
MG  A 501 (-2.9A)
 0.86A 2ys6A-5ti1A:
undetectable		 2ys6A-5ti1A:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vev PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Neisseria
gonorrhoeae) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ASP A 212
LYS A 214
GLY A 290
PRO A 292
GLU A 293
 NA  A 501 (-3.1A)
NA  A 501 (-3.2A)
None
NA  A 501 (-4.4A)
NA  A 501 (-2.6A)
 0.55A 2ys6A-5vevA:
55.3		 2ys6A-5vevA:
50.45
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.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LYS A 236
ASN A 288
ARG A 290
GLU A 294
 None
 0.84A 2ys6A-5vywA:
27.0		 2ys6A-5vywA:
17.45
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.
5y6n HELICASE DOMAIN FROM
GENOME POLYPROTEIN

(Zika virus) 		no annotation 4 LYS A 200
ARG A 459
GLY A 415
GLU A 286
 ADP  A 702 (-2.7A)
None
MN  A 701 ( 4.9A)
MN  A 701 (-2.6A)
 0.94A 2ys6A-5y6nA:
undetectable		 2ys6A-5y6nA:
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.
6fht BACTERIOPHYTOCHROME,
ADENYLATE CYCLASE

(Synechocystis
sp. PCC 6803;
Deinococcus
radiodurans) 		no annotation 4 ASP A 207
TYR A 176
GLY A 184
PRO A 204
 LBV  A 801 (-3.9A)
LBV  A 801 (-4.5A)
None
None
 0.97A 2ys6A-6fhtA:
undetectable		 2ys6A-6fhtA:
undetectable