SIMILAR PATTERNS OF AMINO ACIDS FOR 5HG0_A_SAMA301_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fiw BETA-ACROSIN HEAVY
CHAIN

(Ovis aries) 		PF00089
(Trypsin) 		5 GLY A 211
VAL A 112
GLY A 196
THR A 213
LEU A 199
 None
 1.06A 5hg0A-1fiwA:
undetectable		 5hg0A-1fiwA:
23.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1iho PANTOATE--BETA-ALANI
NE LIGASE

(Escherichia
coli) 		PF02569
(Pantoate_ligase) 		5 HIS A  34
GLY A  36
GLY A 149
LYS A 151
ASP A 152
 None
 1.00A 5hg0A-1ihoA:
26.4		 5hg0A-1ihoA:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1iho PANTOATE--BETA-ALANI
NE LIGASE

(Escherichia
coli) 		PF02569
(Pantoate_ligase) 		7 HIS A  34
GLY A  36
LEU A  40
GLN A  61
TYR A  71
GLY A 149
ASP A 152
 None
None
None
EDO  A 702 (-2.9A)
None
None
None
 0.63A 5hg0A-1ihoA:
26.4		 5hg0A-1ihoA:
36.43
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.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 HIS A  54
GLY A  56
VAL A 517
GLY A 551
ASP A 553
 None
 1.00A 5hg0A-1ileA:
undetectable		 5hg0A-1ileA:
13.85
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.
1jpu GLYCEROL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00465
(Fe-ADH) 		5 HIS A 274
GLY A 275
TYR A 142
VAL A 184
GLY A 281
 ZN  A 371 (-3.3A)
None
None
None
None
 1.22A 5hg0A-1jpuA:
undetectable		 5hg0A-1jpuA:
20.81
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.
1m1c MAJOR COAT PROTEIN

(Saccharomyces
cerevisiae
virus L-A) 		PF09220
(LA-virus_coat) 		5 GLY A  57
LEU A 227
GLY A  24
ASP A 146
THR A  54
 None
 1.17A 5hg0A-1m1cA:
undetectable		 5hg0A-1m1cA:
16.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		7 HIS A  44
GLY A  46
LEU A  50
VAL A 142
GLY A 158
ASP A 161
THR A 186
 SO4  A 601 (-3.9A)
None
None
BAL  A 802 (-4.7A)
None
None
None
 0.47A 5hg0A-1n2oA:
28.8		 5hg0A-1n2oA:
34.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		5 LEU A  50
VAL A  68
GLY A 158
ASP A 161
THR A 186
 None
 1.25A 5hg0A-1n2oA:
28.8		 5hg0A-1n2oA:
34.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		5 VAL A  68
GLY A 158
LYS A 160
ASP A 161
THR A 186
 None
 1.15A 5hg0A-1n2oA:
28.8		 5hg0A-1n2oA:
34.67
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.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		5 HIS A  64
GLY A  66
VAL A 527
GLY A 555
ASP A 557
 MRC  A1993 (-4.1A)
MRC  A1993 ( 3.7A)
None
MRC  A1993 (-3.8A)
MRC  A1993 (-3.2A)
 1.17A 5hg0A-1qu2A:
4.3		 5hg0A-1qu2A:
14.04
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.
1ta9 GLYCEROL
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00465
(Fe-ADH) 		5 HIS A 333
GLY A 334
TYR A 201
VAL A 243
GLY A 340
 ZN  A1502 ( 3.4A)
None
None
None
None
 1.21A 5hg0A-1ta9A:
undetectable		 5hg0A-1ta9A:
20.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ufv PANTOATE-BETA-ALANIN
E LIGASE

(Thermus
thermophilus) 		PF02569
(Pantoate_ligase) 		11 HIS A  29
GLY A  31
LEU A  35
GLN A  56
TYR A  66
VAL A 127
GLY A 143
LYS A 145
ASP A 146
THR A 171
LEU A 180
 CL  A1002 (-4.8A)
None
None
GOL  A1400 ( 3.2A)
None
None
None
None
None
None
None
 0.53A 5hg0A-1ufvA:
32.4		 5hg0A-1ufvA:
34.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ufv PANTOATE-BETA-ALANIN
E LIGASE

(Thermus
thermophilus) 		PF02569
(Pantoate_ligase) 		6 HIS A  29
GLY A  31
VAL A 128
LYS A 145
ASP A 146
LEU A 180
 CL  A1002 (-4.8A)
None
None
None
None
None
 1.25A 5hg0A-1ufvA:
32.4		 5hg0A-1ufvA:
34.75
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.
1w7p VPS22, YPL002C
VPS36P, YLR417W

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF04157
(EAP30)
PF04157
(EAP30) 		5 GLY A 209
LEU A 210
TYR D 556
GLY A 112
LYS A 107
 None
 1.14A 5hg0A-1w7pA:
undetectable		 5hg0A-1w7pA:
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.
1y9g EXO-INULINASE

(Aspergillus
awamori) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 GLY A 468
LEU A 470
VAL A 525
GLY A 493
THR A 499
 None
 1.11A 5hg0A-1y9gA:
undetectable		 5hg0A-1y9gA:
19.89
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.
1zlr COAGULATION FACTOR
XI

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 211
VAL A 112
GLY A 196
THR A 213
LEU A 198
 None
 1.15A 5hg0A-1zlrA:
undetectable		 5hg0A-1zlrA:
20.22
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.
2b2i AMMONIUM TRANSPORTER

(Archaeoglobus
fulgidus) 		PF00909
(Ammonium_transp) 		5 GLY A 256
TYR A  27
GLY A 309
THR A 261
LEU A 257
 None
 1.16A 5hg0A-2b2iA:
undetectable		 5hg0A-2b2iA:
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.
2cpq FRAGILE X MENTAL
RETARDATION SYNDROME
RELATED PROTEIN 1,
ISOFORM B'

(Homo sapiens) 		PF00013
(KH_1) 		5 GLY A 231
VAL A 250
GLY A 238
THR A 236
LEU A 232
 None
 1.11A 5hg0A-2cpqA:
undetectable		 5hg0A-2cpqA:
14.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ejc PANTOATE--BETA-ALANI
NE LIGASE

(Thermotoga
maritima) 		PF02569
(Pantoate_ligase) 		8 GLY A  36
LEU A  40
GLN A  61
TYR A  71
VAL A 131
GLY A 147
LYS A 149
ASP A 150
 ZN  A 512 ( 4.2A)
None
None
None
None
None
ZN  A 511 (-3.0A)
None
 0.54A 5hg0A-2ejcA:
30.8		 5hg0A-2ejcA:
39.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLY A 132
LEU A 294
VAL A 321
GLN A 133
LEU A 409
 None
 1.15A 5hg0A-2h88A:
undetectable		 5hg0A-2h88A:
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 596
GLY A 538
THR A 535
GLN A 534
LEU A 533
 None
 1.19A 5hg0A-2h88A:
undetectable		 5hg0A-2h88A:
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.
2i7g MONOOXYGENASE

(Agrobacterium
fabrum) 		PF00296
(Bac_luciferase) 		5 GLY A   4
LEU A 310
GLN A 170
GLY A  46
LEU A  42
 None
 0.88A 5hg0A-2i7gA:
undetectable		 5hg0A-2i7gA:
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.
2iwa GLUTAMINE
CYCLOTRANSFERASE

(Carica papaya) 		PF05096
(Glu_cyclase_2) 		5 GLY A  61
LEU A  62
ASP A  40
THR A  45
GLN A  46
 None
None
GOL  A 505 (-4.3A)
None
None
 1.23A 5hg0A-2iwaA:
undetectable		 5hg0A-2iwaA:
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.
2j6i FORMATE
DEHYDROGENASE

([Candida]
boidinii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 HIS A 232
GLY A 234
LEU A 238
VAL A 179
ASP A 195
 None
 1.16A 5hg0A-2j6iA:
undetectable		 5hg0A-2j6iA:
24.53
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.
2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF01903
(CbiX) 		5 GLY A 365
LEU A 364
VAL A  70
THR A 324
LEU A 328
 None
 1.20A 5hg0A-2jh3A:
undetectable		 5hg0A-2jh3A:
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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		5 HIS A 113
LEU A  18
VAL A 285
LYS A   4
ASP A 117
 None
 1.23A 5hg0A-2rdyA:
undetectable		 5hg0A-2rdyA:
15.55
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.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 GLY A  16
LEU A 308
GLN A  50
GLY A 330
LEU A  17
 None
 0.88A 5hg0A-2rgjA:
undetectable		 5hg0A-2rgjA:
18.64
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.
2wtk STE20-RELATED KINASE
ADAPTER PROTEIN
ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLY B 416
LEU B 158
VAL B 131
THR B 398
LEU B 417
 None
 1.11A 5hg0A-2wtkB:
undetectable		 5hg0A-2wtkB:
20.10
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.
2xjy RHOMBOTIN-2
LIM DOMAIN-BINDING
PROTEIN 1

(Homo sapiens;
Homo sapiens) 		PF00412
(LIM)
no annotation 		5 GLY A  89
LEU A  85
GLY B 351
ASP B 354
GLN A  90
 None
 1.07A 5hg0A-2xjyA:
undetectable		 5hg0A-2xjyA:
17.56
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.
2xok ATP SYNTHASE SUBUNIT
GAMMA, MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00231
(ATP-synt) 		5 GLY G 111
LYS G 115
ASP G 112
THR G 109
LEU G 128
 None
 1.26A 5hg0A-2xokG:
undetectable		 5hg0A-2xokG:
23.38
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.
2xtz GUANINE
NUCLEOTIDE-BINDING
PROTEIN ALPHA-1
SUBUNIT

(Arabidopsis
thaliana) 		PF00503
(G-alpha) 		5 GLY A  47
VAL A 236
GLY A 220
ASP A 218
GLN A 222
 GSP  A1382 (-3.6A)
None
GSP  A1382 (-3.8A)
MG  A1381 ( 3.8A)
GSP  A1382 ( 4.6A)
 1.20A 5hg0A-2xtzA:
undetectable		 5hg0A-2xtzA:
22.83
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.
2y32 BLR5658 PROTEIN

(Bradyrhizobium
japonicum) 		PF01382
(Avidin) 		5 GLY A  87
VAL A   3
GLY A  84
THR A 108
GLN A  86
 None
 1.26A 5hg0A-2y32A:
undetectable		 5hg0A-2y32A:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 213
LEU A 401
GLY A 375
THR A 210
LEU A 214
 None
 1.24A 5hg0A-2yfhA:
undetectable		 5hg0A-2yfhA:
19.30
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.
2yg6 PUTRESCINE OXIDASE

(Rhodococcus
erythropolis) 		PF01593
(Amino_oxidase) 		5 GLY A 440
GLN A 289
TYR A 269
GLY A 435
GLN A 441
 None
 1.23A 5hg0A-2yg6A:
undetectable		 5hg0A-2yg6A:
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.
2z2z TK-SUBTILISIN
PRECURSOR

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		5 HIS A 153
GLY A  70
VAL A 387
GLY A 263
LEU A  68
 None
 1.05A 5hg0A-2z2zA:
undetectable		 5hg0A-2z2zA:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ag6 PANTOTHENATE
SYNTHETASE

(Staphylococcus
aureus) 		PF02569
(Pantoate_ligase) 		8 HIS A  35
GLY A  37
GLN A  62
TYR A  72
VAL A 132
GLY A 148
LYS A 150
ASP A 151
 PAJ  A 501 (-4.3A)
PAJ  A 501 ( 4.1A)
PAJ  A 501 ( 2.9A)
None
None
PAJ  A 501 (-3.1A)
None
PAJ  A 501 (-3.8A)
 0.49A 5hg0A-3ag6A:
32.8		 5hg0A-3ag6A:
35.89
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.
3akz GLUTAMYL-TRNA
SYNTHETASE 2

(Thermotoga
maritima) 		no annotation 5 HIS B  38
GLY B  40
GLY B 217
ASP B 219
LEU B 255
 GSU  B1001 ( 4.8A)
GSU  B1001 (-3.7A)
GSU  B1001 (-3.0A)
GSU  B1001 (-4.0A)
GSU  B1001 (-4.5A)
 0.83A 5hg0A-3akzB:
7.3		 5hg0A-3akzB:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT
C,LINKER,GLUTAMATE--
TRNA LIGASE 2

(Thermotoga
maritima;
synthetic
construct) 		PF00749
(tRNA-synt_1c)
PF02686
(Glu-tRNAGln) 		5 HIS C 142
GLY C 144
GLY C 321
ASP C 323
LEU C 359
 GSU  C1001 ( 4.8A)
GSU  C1001 (-3.5A)
GSU  C1001 (-2.7A)
GSU  C1001 (-3.0A)
GSU  C1001 (-4.6A)
 1.07A 5hg0A-3al0C:
8.8		 5hg0A-3al0C:
19.22
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.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT
C,LINKER,GLUTAMATE--
TRNA LIGASE 2

(Thermotoga
maritima;
synthetic
construct) 		PF00749
(tRNA-synt_1c)
PF02686
(Glu-tRNAGln) 		5 HIS C 142
GLY C 144
VAL C 306
ASP C 323
LEU C 359
 GSU  C1001 ( 4.8A)
GSU  C1001 (-3.5A)
None
GSU  C1001 (-3.0A)
GSU  C1001 (-4.6A)
 1.04A 5hg0A-3al0C:
8.8		 5hg0A-3al0C:
19.22
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.
3c8z CYSTEINYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF01406
(tRNA-synt_1e) 		5 HIS A  52
GLY A  54
TYR A  48
GLY A 249
ASP A 251
 5CA  A 418 ( 4.9A)
5CA  A 418 (-3.3A)
None
5CA  A 418 (-3.0A)
5CA  A 418 (-3.1A)
 1.14A 5hg0A-3c8zA:
5.7		 5hg0A-3c8zA:
20.10
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.
3ci0 PSEUDOPILIN GSPJ
PSEUDOPILIN GSPK

(Escherichia
coli;
Escherichia
coli) 		PF11612
(T2SSJ)
PF03934
(T2SSK) 		5 GLY J  93
GLN J 138
TYR J 112
THR K 312
GLN K 311
 None
 1.26A 5hg0A-3ci0J:
undetectable		 5hg0A-3ci0J:
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.
3fcm HYDROLASE, NUDIX
FAMILY

(Clostridium
perfringens) 		PF00293
(NUDIX) 		5 VAL A 154
GLY A  74
THR A  45
GLN A  82
LEU A 132
 None
 1.18A 5hg0A-3fcmA:
undetectable		 5hg0A-3fcmA:
21.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3guz PANTOTHENATE
SYNTHETASE

(Escherichia
coli) 		PF02569
(Pantoate_ligase) 		5 GLY A  36
LEU A  40
GLN A  61
GLY A 149
LYS A 151
 PAF  A 178 (-4.5A)
PAF  A 178 ( 4.7A)
PAF  A 177 (-3.1A)
PAF  A 178 (-3.4A)
PAF  A 178 (-4.6A)
 1.02A 5hg0A-3guzA:
22.8		 5hg0A-3guzA:
30.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3guz PANTOTHENATE
SYNTHETASE

(Escherichia
coli) 		PF02569
(Pantoate_ligase) 		5 GLY A  36
LEU A  40
GLN A  61
TYR A  71
GLY A 149
 PAF  A 178 (-4.5A)
PAF  A 178 ( 4.7A)
PAF  A 177 (-3.1A)
None
PAF  A 178 (-3.4A)
 0.71A 5hg0A-3guzA:
22.8		 5hg0A-3guzA:
30.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3guz PANTOTHENATE
SYNTHETASE

(Escherichia
coli) 		PF02569
(Pantoate_ligase) 		5 LEU A  40
GLN A  61
TYR A  71
GLY A 149
ASP A 152
 PAF  A 178 ( 4.7A)
PAF  A 177 (-3.1A)
None
PAF  A 178 (-3.4A)
None
 1.01A 5hg0A-3guzA:
22.8		 5hg0A-3guzA:
30.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3inn PANTOTHENATE
SYNTHETASE

(Brucella
melitensis) 		PF02569
(Pantoate_ligase) 		10 HIS A  34
GLY A  36
LEU A  40
GLN A  61
TYR A  71
VAL A 131
GLY A 147
LYS A 149
ASP A 150
THR A 175
 ATP  A 300 (-4.5A)
ATP  A 300 ( 4.1A)
ATP  A 300 (-4.7A)
ATP  A 300 (-3.1A)
None
None
ATP  A 300 (-3.4A)
ATP  A 300 (-4.8A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.4A)
 0.53A 5hg0A-3innA:
33.5		 5hg0A-3innA:
35.81
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.
3lad DIHYDROLIPOAMIDE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 184
LEU A 183
VAL A  51
GLY A 196
LEU A 209
 None
 1.07A 5hg0A-3ladA:
undetectable		 5hg0A-3ladA:
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.
3mgx PUTATIVE P450
MONOOXYGENASE

(Amycolatopsis
balhimycina) 		PF00067
(p450) 		5 GLY A 385
VAL A 129
GLY A 246
THR A 279
GLN A 384
 None
None
None
None
GOL  A 401 ( 4.6A)
 1.18A 5hg0A-3mgxA:
undetectable		 5hg0A-3mgxA:
18.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mue PANTOTHENATE
SYNTHETASE

(Salmonella
enterica) 		PF02569
(Pantoate_ligase) 		7 HIS A  34
GLY A  36
LEU A  40
GLN A  61
TYR A  71
GLY A 149
ASP A 152
 EOH  A 292 (-4.3A)
EOH  A 292 ( 4.1A)
None
GOL  A 291 ( 2.9A)
None
None
None
 0.51A 5hg0A-3mueA:
26.4		 5hg0A-3mueA:
38.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mue PANTOTHENATE
SYNTHETASE

(Salmonella
enterica) 		PF02569
(Pantoate_ligase) 		6 HIS A  34
GLY A  36
LEU A  40
GLY A 149
LYS A 151
ASP A 152
 EOH  A 292 (-4.3A)
EOH  A 292 ( 4.1A)
None
None
None
None
 0.57A 5hg0A-3mueA:
26.4		 5hg0A-3mueA:
38.97
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.
3n2z LYSOSOMAL PRO-X
CARBOXYPEPTIDASE

(Homo sapiens) 		PF05577
(Peptidase_S28) 		5 GLN B 208
VAL B 213
GLY B 427
ASP B 430
LEU B 459
 None
 1.03A 5hg0A-3n2zB:
2.5		 5hg0A-3n2zB:
19.21
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.
3op1 MACROLIDE-EFFLUX
PROTEIN

(Streptococcus
pneumoniae) 		PF01687
(Flavokinase)
PF06574
(FAD_syn) 		5 HIS A  30
GLY A  32
LEU A  36
GLY A 126
ASP A 128
 SO4  A 311 (-4.1A)
GOL  A 312 (-3.3A)
GOL  A 312 ( 4.8A)
GOL  A 312 (-3.6A)
None
 1.11A 5hg0A-3op1A:
9.8		 5hg0A-3op1A:
23.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q10 PANTOATE--BETA-ALANI
NE LIGASE

(Yersinia pestis) 		PF02569
(Pantoate_ligase) 		10 HIS A  34
GLY A  36
LEU A  40
GLN A  61
TYR A  71
GLY A 149
LYS A 151
ASP A 152
THR A 177
LEU A 186
 AMP  A 501 (-4.4A)
AMP  A 501 ( 3.9A)
AMP  A 501 (-4.6A)
GOL  A 601 ( 2.9A)
None
AMP  A 501 (-3.3A)
None
AMP  A 501 (-3.6A)
AMP  A 501 (-4.2A)
AMP  A 501 (-4.4A)
 0.53A 5hg0A-3q10A:
34.0		 5hg0A-3q10A:
39.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q10 PANTOATE--BETA-ALANI
NE LIGASE

(Yersinia pestis) 		PF02569
(Pantoate_ligase) 		5 HIS A  34
GLY A  36
VAL A 134
ASP A 152
LEU A 186
 AMP  A 501 (-4.4A)
AMP  A 501 ( 3.9A)
None
AMP  A 501 (-3.6A)
AMP  A 501 (-4.4A)
 1.09A 5hg0A-3q10A:
34.0		 5hg0A-3q10A:
39.79
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.
3r7k PROBABLE ACYL COA
DEHYDROGENASE

(Mycobacteroides
abscessus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 145
LEU A 232
GLY A 181
THR A 179
LEU A 144
 FDA  A 420 ( 4.3A)
None
None
FDA  A 420 (-4.0A)
None
 1.11A 5hg0A-3r7kA:
undetectable		 5hg0A-3r7kA:
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli) 		no annotation 5 GLY N 454
LEU N 346
VAL N 109
GLY N 342
LEU N 458
 None
 1.25A 5hg0A-3rkoN:
undetectable		 5hg0A-3rkoN:
18.74
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.
3tg9 PENICILLIN-BINDING
PROTEIN

(Bacillus
halodurans) 		PF00144
(Beta-lactamase) 		5 GLY A 159
LEU A 128
VAL A 120
GLY A 223
LEU A 158
 None
 1.17A 5hg0A-3tg9A:
undetectable		 5hg0A-3tg9A:
19.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uk2 PANTOTHENATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF02569
(Pantoate_ligase) 		11 HIS A  30
GLY A  32
LEU A  36
GLN A  57
TYR A  67
VAL A 128
GLY A 144
LYS A 146
ASP A 147
THR A 172
LEU A 181
 AMP  A 280 (-4.7A)
AMP  A 280 ( 3.9A)
AMP  A 280 (-4.7A)
EDO  A 285 ( 3.0A)
None
EDO  A 285 (-4.9A)
AMP  A 280 (-3.3A)
None
MLT  A 284 ( 3.5A)
AMP  A 280 (-4.2A)
AMP  A 280 (-4.4A)
 0.44A 5hg0A-3uk2A:
33.1		 5hg0A-3uk2A:
35.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uk2 PANTOTHENATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF02569
(Pantoate_ligase) 		5 HIS A  30
GLY A  32
VAL A 129
ASP A 147
LEU A 181
 AMP  A 280 (-4.7A)
AMP  A 280 ( 3.9A)
None
MLT  A 284 ( 3.5A)
AMP  A 280 (-4.4A)
 1.10A 5hg0A-3uk2A:
33.1		 5hg0A-3uk2A:
35.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uk2 PANTOTHENATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF02569
(Pantoate_ligase) 		6 HIS A  33
GLY A  32
GLN A  57
TYR A  67
GLY A 144
ASP A 147
 AMP  A 280 (-4.0A)
AMP  A 280 ( 3.9A)
EDO  A 285 ( 3.0A)
None
AMP  A 280 (-3.3A)
MLT  A 284 ( 3.5A)
 1.40A 5hg0A-3uk2A:
33.1		 5hg0A-3uk2A:
35.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uy4 PANTOTHENATE
SYNTHETASE

(Campylobacter
jejuni) 		PF02569
(Pantoate_ligase) 		9 HIS A  34
GLY A  36
LEU A  40
GLN A  60
TYR A  70
VAL A 130
GLY A 146
LYS A 148
ASP A 149
 AMP  A 301 ( 4.5A)
AMP  A 301 ( 3.9A)
AMP  A 301 (-4.8A)
PAU  A 302 (-2.9A)
None
None
AMP  A 301 (-3.3A)
None
PAU  A 302 ( 3.7A)
 0.48A 5hg0A-3uy4A:
32.8		 5hg0A-3uy4A:
36.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uy4 PANTOTHENATE
SYNTHETASE

(Campylobacter
jejuni) 		PF02569
(Pantoate_ligase) 		6 HIS A  37
GLY A  36
GLN A  60
TYR A  70
GLY A 146
ASP A 149
 AMP  A 301 (-3.9A)
AMP  A 301 ( 3.9A)
PAU  A 302 (-2.9A)
None
AMP  A 301 (-3.3A)
PAU  A 302 ( 3.7A)
 1.44A 5hg0A-3uy4A:
32.8		 5hg0A-3uy4A:
36.68
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.
3v8u TRANSFERRIN
BINDING-PROTEIN B

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 GLY A 656
LEU A 529
GLN A 175
GLY A 531
LEU A 655
 None
 1.14A 5hg0A-3v8uA:
undetectable		 5hg0A-3v8uA:
16.18
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.
4aah METHANOL
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF13360
(PQQ_2) 		5 GLY A 563
GLN A 388
VAL A 390
GLY A 506
LEU A  51
 None
PQQ  A 701 ( 4.8A)
None
None
None
 1.09A 5hg0A-4aahA:
undetectable		 5hg0A-4aahA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aah METHANOL
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF13360
(PQQ_2) 		5 GLY A 564
GLN A 388
VAL A 390
GLY A 506
LEU A  51
 None
PQQ  A 701 ( 4.8A)
None
None
None
 1.03A 5hg0A-4aahA:
undetectable		 5hg0A-4aahA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 HIS A 226
LEU A 143
VAL A 118
GLY A 166
GLN A 194
 None
 1.22A 5hg0A-4ao7A:
2.4		 5hg0A-4ao7A:
21.77
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 GLY A 586
LEU A 397
VAL A 643
GLY A 634
LEU A 596
 GLY  A 586 ( 0.0A)
LEU  A 397 ( 0.5A)
VAL  A 643 ( 0.6A)
GLY  A 634 ( 0.0A)
LEU  A 596 ( 0.6A)
 1.18A 5hg0A-4flxA:
undetectable		 5hg0A-4flxA:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g6z GLUTAMATE-TRNA
LIGASE

(Burkholderia
thailandensis) 		PF00749
(tRNA-synt_1c) 		5 HIS A  18
GLY A  20
GLY A 206
ASP A 208
THR A 235
 None
 1.06A 5hg0A-4g6zA:
7.2		 5hg0A-4g6zA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iw9 GLUTATHIONE
TRANSFERASE

(Mannheimia
haemolytica) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 GLY A 206
LEU A 207
TYR A  29
VAL A 160
GLY A   8
 None
 1.19A 5hg0A-4iw9A:
undetectable		 5hg0A-4iw9A:
22.26
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.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae) 		PF00873
(ACR_tran) 		5 GLY A 992
VAL A 450
GLY A 401
ASP A 405
LEU A 991
 None
 1.02A 5hg0A-4mt1A:
undetectable		 5hg0A-4mt1A:
13.34
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.
4nuz ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F2

(Streptococcus
pyogenes) 		no annotation 5 GLY A 115
TYR A 450
VAL A 537
GLY A 344
LEU A 146
 None
 1.06A 5hg0A-4nuzA:
undetectable		 5hg0A-4nuzA:
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.
4oud TYROSYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		5 HIS B  48
GLY B  50
GLN B 179
ASP B 200
THR B 229
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
GLN  B 179 ( 0.6A)
ASP  B 200 ( 0.6A)
THR  B 229 ( 0.8A)
 1.03A 5hg0A-4oudB:
6.8		 5hg0A-4oudB:
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.
4pb6 VP1

(Feline
calicivirus) 		PF00915
(Calici_coat) 		5 LEU A 657
GLY A 622
ASP A 624
GLN A 651
LEU A 652
 None
 1.07A 5hg0A-4pb6A:
undetectable		 5hg0A-4pb6A:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmj PUTATIVE
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF00248
(Aldo_ket_red) 		5 GLY A  20
VAL A 163
THR A  49
GLN A  21
LEU A  19
 None
 1.05A 5hg0A-4pmjA:
undetectable		 5hg0A-4pmjA:
20.60
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.
4q3r ARGINASE

(Schistosoma
mansoni) 		PF00491
(Arginase) 		5 GLY A 281
LEU A 282
VAL A 303
GLY A 208
ASP A 154
 None
None
None
None
MN  A 401 (-2.6A)
 1.20A 5hg0A-4q3rA:
undetectable		 5hg0A-4q3rA:
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.
4ry9 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Verminephrobacter
eiseniae) 		PF13407
(Peripla_BP_4) 		5 LEU A 220
TYR A 274
VAL A 181
GLY A 204
LEU A 214
 None
 1.19A 5hg0A-4ry9A:
2.8		 5hg0A-4ry9A:
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.
4wso PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Burkholderia
thailandensis) 		PF01467
(CTP_transf_like) 		5 HIS A  42
GLY A  44
LEU A  48
GLY A 136
ASP A 138
 PO4  A 302 ( 4.2A)
NAD  A 301 ( 3.8A)
NAD  A 301 (-4.2A)
NAD  A 301 (-3.1A)
NAD  A 301 (-2.9A)
 1.10A 5hg0A-4wsoA:
7.2		 5hg0A-4wsoA:
18.64
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.
5aca VP3

(Foot-and-mouth
disease virus) 		PF00073
(Rhv) 		5 GLY 3 128
VAL 3  72
GLY 3 184
ASP 3  77
THR 3 182
 None
 0.94A 5hg0A-5aca3:
undetectable		 5hg0A-5aca3:
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.
5aid MEP2

(Candida
albicans) 		PF00909
(Ammonium_transp) 		5 GLY A 293
TYR A  49
GLY A 346
THR A 298
LEU A 294
 None
 1.13A 5hg0A-5aidA:
undetectable		 5hg0A-5aidA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5buk FADH2-DEPENDENT
HALOGENASE

(Streptomyces
sp. CNQ-418) 		PF04820
(Trp_halogenase) 		5 VAL A  54
GLY A 179
THR A 182
GLN A 183
LEU A 184
 None
FAD  A 501 (-3.4A)
None
FAD  A 501 (-3.6A)
None
 1.10A 5hg0A-5bukA:
undetectable		 5hg0A-5bukA:
19.74
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.
5gjw VOLTAGE-DEPENDENT
CALCIUM CHANNEL
SUBUNIT
ALPHA-2/DELTA-1

(Oryctolagus
cuniculus) 		PF00092
(VWA)
PF08399
(VWA_N)
PF08473
(VGCC_alpha2) 		5 GLY F 249
VAL F 194
GLY F 464
THR F 449
GLN F 248
 None
 1.16A 5hg0A-5gjwF:
undetectable		 5hg0A-5gjwF:
13.60
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.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		5 GLY A 480
LEU A 484
GLY A  83
ASP A  96
LEU A 146
 FAD  A 602 ( 3.2A)
None
None
None
None
 1.10A 5hg0A-5glgA:
undetectable		 5hg0A-5glgA:
23.01
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.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 5 GLY A 471
GLY A 422
ASP A 391
THR A 449
LEU A 601
 None
 1.19A 5hg0A-5gqfA:
undetectable		 5hg0A-5gqfA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		5 GLY A 890
LEU A 854
VAL A 775
GLY A 851
GLN A 893
 None
 1.24A 5hg0A-5h2vA:
undetectable		 5hg0A-5h2vA:
13.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hg0 PANTOTHENATE
SYNTHETASE

(Francisella
tularensis) 		PF02569
(Pantoate_ligase) 		12 HIS A  33
GLY A  35
LEU A  39
GLN A  60
TYR A  70
VAL A 131
GLY A 147
LYS A 149
ASP A 150
THR A 175
GLN A 176
LEU A 184
 SAM  A 301 (-4.5A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.5A)
None
None
SAM  A 301 (-3.1A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-4.2A)
None
SAM  A 301 (-4.3A)
 0.03A 5hg0A-5hg0A:
46.0		 5hg0A-5hg0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hg0 PANTOTHENATE
SYNTHETASE

(Francisella
tularensis) 		PF02569
(Pantoate_ligase) 		5 HIS A  33
GLY A  35
VAL A 132
ASP A 150
LEU A 184
 SAM  A 301 (-4.5A)
SAM  A 301 ( 3.7A)
None
SAM  A 301 (-4.2A)
SAM  A 301 (-4.3A)
 1.16A 5hg0A-5hg0A:
46.0		 5hg0A-5hg0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hg0 PANTOTHENATE
SYNTHETASE

(Francisella
tularensis) 		PF02569
(Pantoate_ligase) 		6 HIS A  36
GLY A  35
TYR A  70
GLY A 147
LYS A 149
ASP A 150
 SAM  A 301 (-4.0A)
SAM  A 301 ( 3.7A)
None
SAM  A 301 (-3.1A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.2A)
 1.37A 5hg0A-5hg0A:
46.0		 5hg0A-5hg0A:
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.
5j98 VP3

(Slow bee
paralysis virus) 		PF00073
(Rhv) 		5 GLY C 371
TYR C 110
VAL C 260
GLY C 349
LEU C 370
 None
 1.20A 5hg0A-5j98C:
undetectable		 5hg0A-5j98C:
20.23
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B)
PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 GLY B 141
VAL A 479
GLY B  99
THR B  97
LEU B  95
 None
 1.15A 5hg0A-5l9wB:
undetectable		 5hg0A-5l9wB:
17.20
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.
5mjs TUBULIN ALPHA-1
CHAIN

(Schizosaccharomyces
pombe) 		no annotation 5 GLY E 147
GLN E  81
GLY E  10
ASP E  73
THR E 149
 GTP  E 500 (-3.1A)
None
GTP  E 500 (-3.1A)
GTP  E 500 (-3.6A)
GTP  E 500 (-3.6A)
 1.14A 5hg0A-5mjsE:
undetectable		 5hg0A-5mjsE:
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.
5ols RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLY A 269
GLN A 155
GLY A 248
ASP A 250
THR A 282
 None
RAM  A 605 ( 3.3A)
None
AQA  A 606 ( 3.1A)
None
 1.26A 5hg0A-5olsA:
undetectable		 5hg0A-5olsA:
19.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ucr PANTOTHENATE
SYNTHETASE

(Neisseria
gonorrhoeae) 		PF02569
(Pantoate_ligase) 		9 HIS A  30
GLY A  32
LEU A  36
VAL A 128
GLY A 144
LYS A 146
ASP A 147
THR A 172
LEU A 181
 ANP  A 301 (-4.4A)
ANP  A 301 (-3.6A)
ANP  A 301 (-4.5A)
None
ANP  A 301 (-3.2A)
ANP  A 301 (-2.8A)
ANP  A 301 (-3.7A)
ANP  A 301 (-4.1A)
ANP  A 301 (-4.5A)
 0.48A 5hg0A-5ucrA:
30.7		 5hg0A-5ucrA:
35.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ucr PANTOTHENATE
SYNTHETASE

(Neisseria
gonorrhoeae) 		PF02569
(Pantoate_ligase) 		6 HIS A  30
GLY A  32
VAL A 129
LYS A 146
ASP A 147
LEU A 181
 ANP  A 301 (-4.4A)
ANP  A 301 (-3.6A)
None
ANP  A 301 (-2.8A)
ANP  A 301 (-3.7A)
ANP  A 301 (-4.5A)
 1.15A 5hg0A-5ucrA:
30.7		 5hg0A-5ucrA:
35.93
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.
5wy5 NON-STRUCTURAL
MAINTENANCE OF
CHROMOSOMES ELEMENT
1 HOMOLOG

(Homo sapiens) 		PF07574
(SMC_Nse1)
PF08746
(zf-RING-like) 		5 HIS A 169
GLY A 170
LEU A 174
GLY A  74
THR A  76
 None
 1.06A 5hg0A-5wy5A:
undetectable		 5hg0A-5wy5A:
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.
5x5y UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF03739
(YjgP_YjgQ) 		5 GLY F 299
LEU F  81
GLN F  95
GLY F  77
LEU F 302
 None
 1.09A 5hg0A-5x5yF:
undetectable		 5hg0A-5x5yF:
21.33
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.
5ynl ARGINASE

(Glaciozyma
antarctica) 		no annotation 5 HIS A  32
GLY A  34
LEU A  38
GLY A 306
THR A 302
 None
 1.05A 5hg0A-5ynlA:
undetectable		 5hg0A-5ynlA:
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.
5yy3 -

(-) 		no annotation 5 GLY A 394
LEU A 205
TYR A 233
GLY A 318
LEU A 396
 None
 1.18A 5hg0A-5yy3A:
undetectable		 5hg0A-5yy3A:
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.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 5 HIS A  18
GLY A  20
VAL A 227
GLY A 261
ASP A 263
 ME8  A 801 (-3.8A)
ME8  A 801 (-3.6A)
None
ME8  A 801 (-2.9A)
ME8  A 801 (-3.1A)
 0.99A 5hg0A-6ax8A:
5.8		 5hg0A-6ax8A:
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.
6d6y APRA
METHYLTRANSFERASE 2

(Moorea
bouillonii) 		no annotation 5 GLY A 957
LEU A 960
VAL A 982
GLN A 956
LEU A 955
 None
 1.22A 5hg0A-6d6yA:
undetectable		 5hg0A-6d6yA:
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.
6en3 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE
F2,MULTIFUNCTIONAL-A
UTOPROCESSING
REPEATS-IN-TOXIN

(Vibrio
cholerae;
Streptococcus
pyogenes) 		no annotation 5 GLY A 115
TYR A 450
VAL A 537
GLY A 344
LEU A 146
 None
 1.07A 5hg0A-6en3A:
undetectable		 5hg0A-6en3A:
undetectable