SIMILAR PATTERNS OF AMINO ACIDS FOR 5HG0_B_SAMB301

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
 1.12A 5hg0B-1fiwA:
undetectable		 5hg0B-1fiwA:
23.77
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.
1h3e TYROSYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00579
(tRNA-synt_1b) 		5 HIS A  52
GLY A  54
HIS A  55
GLY A 194
ASP A 196
 ATP  A1433 (-4.3A)
ATP  A1433 (-3.4A)
ATP  A1433 (-4.2A)
ATP  A1433 (-3.2A)
ATP  A1433 ( 4.2A)
 0.96A 5hg0B-1h3eA:
10.1		 5hg0B-1h3eA:
18.88
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
HIS A  37
LEU A  40
TYR A  71
GLY A 149
ASP A 152
 None
 0.62A 5hg0B-1ihoA:
26.4		 5hg0B-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
HIS A  57
VAL A 517
GLY A 551
 None
 0.99A 5hg0B-1ileA:
undetectable		 5hg0B-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.
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
 1.04A 5hg0B-1ileA:
undetectable		 5hg0B-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.
1k4m NAMN
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF01467
(CTP_transf_like) 		5 HIS A  16
GLY A  18
HIS A  19
GLY A 107
ASP A 109
 None
NAD  A 601 (-3.8A)
NAD  A 601 (-4.5A)
NAD  A 601 (-3.1A)
NAD  A 601 ( 2.9A)
 1.01A 5hg0B-1k4mA:
7.0		 5hg0B-1k4mA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lgy TRIACYLGLYCEROL
LIPASE

(Rhizopus niveus) 		PF01764
(Lipase_3) 		5 HIS A 257
GLY A 176
HIS A 144
VAL A  33
GLY A 148
 None
 1.08A 5hg0B-1lgyA:
undetectable		 5hg0B-1lgyA:
18.98
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.
1lpf DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		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
 1.12A 5hg0B-1lpfA:
undetectable		 5hg0B-1lpfA:
23.40
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) 		8 HIS A  44
GLY A  46
HIS A  47
LEU A  50
VAL A 142
GLY A 158
ASP A 161
THR A 186
 SO4  A 601 (-3.9A)
None
SO4  A 601 ( 4.9A)
None
BAL  A 802 (-4.7A)
None
None
None
 0.40A 5hg0B-1n2oA:
28.8		 5hg0B-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 HIS A  44
GLY A  46
HIS A  47
VAL A 143
ASP A 161
 SO4  A 601 (-3.9A)
None
SO4  A 601 ( 4.9A)
None
None
 1.13A 5hg0B-1n2oA:
28.8		 5hg0B-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 HIS A  44
VAL A  68
GLY A 158
LYS A 160
ASP A 161
 SO4  A 601 (-3.9A)
None
None
None
None
 1.09A 5hg0B-1n2oA:
28.8		 5hg0B-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) 		6 HIS A  64
GLY A  66
HIS A  67
VAL A 527
GLY A 555
ASP A 557
 MRC  A1993 (-4.1A)
MRC  A1993 ( 3.7A)
MRC  A1993 (-4.1A)
None
MRC  A1993 (-3.8A)
MRC  A1993 (-3.2A)
 1.30A 5hg0B-1qu2A:
4.4		 5hg0B-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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 HIS A  18
GLY A  20
HIS A  21
GLY A 296
ASP A 298
 None
 0.98A 5hg0B-1rqgA:
5.7		 5hg0B-1rqgA:
16.74
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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 HIS A  18
GLY A  20
HIS A  21
VAL A 253
GLY A 296
 None
 0.90A 5hg0B-1rqgA:
5.7		 5hg0B-1rqgA:
16.74
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) 		10 HIS A  29
GLY A  31
HIS A  32
LEU A  35
TYR A  66
VAL A 127
GLY A 143
ASP A 146
THR A 171
LEU A 180
 CL  A1002 (-4.8A)
None
GOL  A1300 (-4.6A)
None
None
None
None
None
None
None
 0.34A 5hg0B-1ufvA:
32.3		 5hg0B-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) 		5 HIS A  29
GLY A  31
HIS A  32
TYR A  66
VAL A 124
 CL  A1002 (-4.8A)
None
GOL  A1300 (-4.6A)
None
GOL  A1400 ( 4.6A)
 1.06A 5hg0B-1ufvA:
32.3		 5hg0B-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
HIS A  32
VAL A 128
ASP A 146
LEU A 180
 CL  A1002 (-4.8A)
None
GOL  A1300 (-4.6A)
None
None
None
 1.15A 5hg0B-1ufvA:
32.3		 5hg0B-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) 		9 HIS A  32
LEU A  35
TYR A  66
VAL A 127
GLY A 143
LYS A 145
ASP A 146
THR A 171
LEU A 180
 GOL  A1300 (-4.6A)
None
None
None
None
None
None
None
None
 0.56A 5hg0B-1ufvA:
32.3		 5hg0B-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.
1vbm TYROSYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		5 HIS A  48
GLY A  50
HIS A  51
GLY A 198
ASP A 200
 SO4  A2003 (-3.9A)
YSA  A3001 (-3.3A)
YSA  A3001 ( 3.8A)
YSA  A3001 (-3.0A)
YSA  A3001 (-3.2A)
 1.00A 5hg0B-1vbmA:
7.8		 5hg0B-1vbmA:
23.15
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.
1woy METHIONYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g) 		5 HIS A  19
GLY A  21
HIS A  22
VAL A 226
GLY A 258
 None
 0.86A 5hg0B-1woyA:
6.3		 5hg0B-1woyA:
17.98
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.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 HIS A  50
GLY A  52
HIS A  53
GLY A 610
ASP A 612
 None
 1.05A 5hg0B-1wz2A:
6.5		 5hg0B-1wz2A:
13.62
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.
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
 1.09A 5hg0B-1y9gA:
undetectable		 5hg0B-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.
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 HIS A  21
GLY A  23
HIS A  24
VAL A 229
ASP A 259
 MSP  A 501 (-4.6A)
MSP  A 501 (-3.6A)
MSP  A 501 (-4.2A)
None
MSP  A 501 (-3.0A)
 1.01A 5hg0B-2ct8A:
6.4		 5hg0B-2ct8A:
21.47
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.
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 HIS A  21
GLY A  23
HIS A  24
VAL A 229
GLY A 257
 MSP  A 501 (-4.6A)
MSP  A 501 (-3.6A)
MSP  A 501 (-4.2A)
None
MSP  A 501 (-2.9A)
 0.89A 5hg0B-2ct8A:
6.4		 5hg0B-2ct8A:
21.47
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.
2e54 ACETYLORNITHINE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00202
(Aminotran_3) 		5 GLY A 266
HIS A 265
VAL A 213
GLY A 270
THR A 268
 None
None
PLP  A1001 (-4.1A)
None
None
 1.01A 5hg0B-2e54A:
undetectable		 5hg0B-2e54A:
22.31
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) 		6 GLY A  36
HIS A  37
LEU A  40
TYR A  71
VAL A 131
LYS A 149
 ZN  A 512 ( 4.2A)
ZN  A 512 ( 3.8A)
None
None
None
ZN  A 511 (-3.0A)
 1.07A 5hg0B-2ejcA:
30.7		 5hg0B-2ejcA:
39.16
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) 		7 GLY A  36
LEU A  40
TYR A  71
VAL A 131
GLY A 147
LYS A 149
ASP A 150
 ZN  A 512 ( 4.2A)
None
None
None
None
ZN  A 511 (-3.0A)
None
 0.59A 5hg0B-2ejcA:
30.7		 5hg0B-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.
2pid TYROSYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 HIS A  88
GLY A  90
HIS A  91
GLY A 244
ASP A 246
 None
YSA  A 384 (-3.5A)
YSA  A 384 (-4.1A)
YSA  A 384 (-2.5A)
YSA  A 384 (-3.3A)
 0.94A 5hg0B-2pidA:
7.2		 5hg0B-2pidA:
21.22
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.
2x1m METHIONYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF09334
(tRNA-synt_1g) 		5 GLY A  21
HIS A  22
VAL A 229
GLY A 263
ASP A 265
 None
 0.90A 5hg0B-2x1mA:
6.2		 5hg0B-2x1mA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.09A 5hg0B-2xjyA:
undetectable		 5hg0B-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.
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
 1.08A 5hg0B-2z2zA:
undetectable		 5hg0B-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) 		6 GLY A  37
HIS A  35
TYR A  72
GLY A 148
LYS A 150
ASP A 151
 PAJ  A 501 ( 4.1A)
PAJ  A 501 (-4.3A)
None
PAJ  A 501 (-3.1A)
None
PAJ  A 501 (-3.8A)
 1.46A 5hg0B-3ag6A:
32.6		 5hg0B-3ag6A:
35.89
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) 		7 HIS A  35
GLY A  37
HIS A  38
TYR A  72
VAL A 132
GLY A 148
ASP A 151
 PAJ  A 501 (-4.3A)
PAJ  A 501 ( 4.1A)
PAJ  A 501 (-4.2A)
None
None
PAJ  A 501 (-3.1A)
PAJ  A 501 (-3.8A)
 0.24A 5hg0B-3ag6A:
32.6		 5hg0B-3ag6A:
35.89
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) 		7 HIS A  35
GLY A  37
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)
None
None
PAJ  A 501 (-3.1A)
None
PAJ  A 501 (-3.8A)
 0.62A 5hg0B-3ag6A:
32.6		 5hg0B-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)
 0.82A 5hg0B-3akzB:
7.4		 5hg0B-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
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)
 1.03A 5hg0B-3al0C:
8.9		 5hg0B-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.
3bv6 METAL-DEPENDENT
HYDROLASE

(Vibrio cholerae) 		PF13483
(Lactamase_B_3) 		5 HIS A 122
GLY A 226
HIS A 117
LYS A 260
ASP A 259
 FE  A 402 (-3.3A)
None
FE  A 401 (-3.1A)
FE  A 402 ( 3.9A)
None
 1.12A 5hg0B-3bv6A:
undetectable		 5hg0B-3bv6A:
22.25
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.
3c8z CYSTEINYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF01406
(tRNA-synt_1e) 		6 HIS A  52
GLY A  54
HIS A  55
TYR A  48
GLY A 249
ASP A 251
 5CA  A 418 ( 4.9A)
5CA  A 418 (-3.3A)
5CA  A 418 (-4.3A)
None
5CA  A 418 (-3.0A)
5CA  A 418 (-3.1A)
 1.10A 5hg0B-3c8zA:
5.7		 5hg0B-3c8zA:
20.10
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
HIS A  37
LEU A  40
TYR A  71
GLY A 149
 PAF  A 178 (-4.5A)
PAF  A 178 ( 3.8A)
PAF  A 178 ( 4.7A)
None
PAF  A 178 (-3.4A)
 0.76A 5hg0B-3guzA:
22.7		 5hg0B-3guzA:
30.57
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.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		5 HIS A  21
GLY A  23
HIS A  24
VAL A 252
GLY A 294
 None
 1.03A 5hg0B-3h9cA:
4.9		 5hg0B-3h9cA:
19.31
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) 		6 GLY A  36
HIS A  34
TYR A  71
GLY A 147
ASP A 150
THR A 175
 ATP  A 300 ( 4.1A)
ATP  A 300 (-4.5A)
None
ATP  A 300 (-3.4A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.4A)
 1.39A 5hg0B-3innA:
33.3		 5hg0B-3innA:
35.81
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) 		9 HIS A  34
GLY A  36
HIS A  37
LEU A  40
TYR A  71
VAL A 131
GLY A 147
ASP A 150
THR A 175
 ATP  A 300 (-4.5A)
ATP  A 300 ( 4.1A)
ATP  A 300 (-4.0A)
ATP  A 300 (-4.7A)
None
None
ATP  A 300 (-3.4A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.4A)
 0.36A 5hg0B-3innA:
33.3		 5hg0B-3innA:
35.81
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) 		9 HIS A  34
HIS A  37
LEU A  40
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 (-4.0A)
ATP  A 300 (-4.7A)
None
None
ATP  A 300 (-3.4A)
ATP  A 300 (-4.8A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.4A)
 0.57A 5hg0B-3innA:
33.3		 5hg0B-3innA:
35.81
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) 		6 HIS A  34
TYR A  71
GLY A 147
LYS A 149
ASP A 150
THR A 175
 ATP  A 300 (-4.5A)
None
ATP  A 300 (-3.4A)
ATP  A 300 (-4.8A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.4A)
 1.20A 5hg0B-3innA:
33.3		 5hg0B-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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		5 HIS A 225
GLY A 227
HIS A 228
VAL A 442
ASP A 486
 POP  A 802 ( 4.0A)
ME8  A 801 (-3.4A)
POP  A 802 ( 3.8A)
None
ME8  A 801 ( 2.6A)
 0.96A 5hg0B-3kflA:
7.5		 5hg0B-3kflA:
19.65
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		5 HIS A 225
GLY A 227
HIS A 228
VAL A 442
GLY A 484
 POP  A 802 ( 4.0A)
ME8  A 801 (-3.4A)
POP  A 802 ( 3.8A)
None
ME8  A 801 (-3.2A)
 0.67A 5hg0B-3kflA:
7.5		 5hg0B-3kflA:
19.65
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.
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
 1.05A 5hg0B-3ladA:
undetectable		 5hg0B-3ladA:
21.83
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
HIS A  37
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
None
 0.67A 5hg0B-3mueA:
26.4		 5hg0B-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) 		7 HIS A  34
GLY A  36
HIS A  37
LEU A  40
TYR A  71
GLY A 149
ASP A 152
 EOH  A 292 (-4.3A)
EOH  A 292 ( 4.1A)
None
None
None
None
None
 0.46A 5hg0B-3mueA:
26.4		 5hg0B-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
HIS A  37
VAL A 134
LYS A 151
ASP A 152
 EOH  A 292 (-4.3A)
EOH  A 292 ( 4.1A)
None
None
None
None
 1.40A 5hg0B-3mueA:
26.4		 5hg0B-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.
3nd6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Enterococcus
faecalis) 		PF01467
(CTP_transf_like) 		5 GLY A  17
HIS A  18
LEU A  21
GLY A  90
ASP A  96
 ATP  A 961 (-3.4A)
ATP  A 961 (-4.3A)
ATP  A 961 (-4.4A)
ATP  A 961 (-3.7A)
ATP  A 961 ( 3.9A)
 1.05A 5hg0B-3nd6A:
8.8		 5hg0B-3nd6A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 HIS A  30
GLY A  32
HIS A  33
LEU A  36
GLY A 126
ASP A 128
 SO4  A 311 (-4.1A)
GOL  A 312 (-3.3A)
SO4  A 311 (-4.3A)
GOL  A 312 ( 4.8A)
GOL  A 312 (-3.6A)
None
 1.05A 5hg0B-3op1A:
9.8		 5hg0B-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) 		9 HIS A  34
GLY A  36
HIS A  37
LEU A  40
TYR A  71
GLY A 149
ASP A 152
THR A 177
LEU A 186
 AMP  A 501 (-4.4A)
AMP  A 501 ( 3.9A)
AMP  A 501 (-4.1A)
AMP  A 501 (-4.6A)
None
AMP  A 501 (-3.3A)
AMP  A 501 (-3.6A)
AMP  A 501 (-4.2A)
AMP  A 501 (-4.4A)
 0.27A 5hg0B-3q10A:
33.7		 5hg0B-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
HIS A  37
TYR A  71
VAL A 130
 AMP  A 501 (-4.4A)
AMP  A 501 ( 3.9A)
AMP  A 501 (-4.1A)
None
GOL  A 601 (-4.0A)
 1.08A 5hg0B-3q10A:
33.7		 5hg0B-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) 		6 HIS A  34
GLY A  36
HIS A  37
VAL A 134
ASP A 152
LEU A 186
 AMP  A 501 (-4.4A)
AMP  A 501 ( 3.9A)
AMP  A 501 (-4.1A)
None
AMP  A 501 (-3.6A)
AMP  A 501 (-4.4A)
 1.11A 5hg0B-3q10A:
33.7		 5hg0B-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) 		7 LEU A  40
TYR A  71
GLY A 149
LYS A 151
ASP A 152
THR A 177
LEU A 186
 AMP  A 501 (-4.6A)
None
AMP  A 501 (-3.3A)
None
AMP  A 501 (-3.6A)
AMP  A 501 (-4.2A)
AMP  A 501 (-4.4A)
 0.69A 5hg0B-3q10A:
33.7		 5hg0B-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.
3tqo CYSTEINYL-TRNA
SYNTHETASE

(Coxiella
burnetii) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		5 HIS A  38
GLY A  40
HIS A  41
TYR A  34
GLY A 228
 None
 0.91A 5hg0B-3tqoA:
5.4		 5hg0B-3tqoA:
22.13
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  30
GLY A  32
HIS A  33
LEU A  36
TYR A  67
VAL A 125
 AMP  A 280 (-4.7A)
AMP  A 280 ( 3.9A)
AMP  A 280 (-4.0A)
AMP  A 280 (-4.7A)
None
EDO  A 285 (-4.0A)
 1.10A 5hg0B-3uk2A:
33.0		 5hg0B-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) 		10 HIS A  30
GLY A  32
HIS A  33
LEU A  36
TYR A  67
VAL A 128
GLY A 144
ASP A 147
THR A 172
LEU A 181
 AMP  A 280 (-4.7A)
AMP  A 280 ( 3.9A)
AMP  A 280 (-4.0A)
AMP  A 280 (-4.7A)
None
EDO  A 285 (-4.9A)
AMP  A 280 (-3.3A)
MLT  A 284 ( 3.5A)
AMP  A 280 (-4.2A)
AMP  A 280 (-4.4A)
 0.28A 5hg0B-3uk2A:
33.0		 5hg0B-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  30
GLY A  32
HIS A  33
VAL A 129
ASP A 147
LEU A 181
 AMP  A 280 (-4.7A)
AMP  A 280 ( 3.9A)
AMP  A 280 (-4.0A)
None
MLT  A 284 ( 3.5A)
AMP  A 280 (-4.4A)
 1.09A 5hg0B-3uk2A:
33.0		 5hg0B-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) 		10 HIS A  30
GLY A  32
LEU A  36
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)
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)
 0.52A 5hg0B-3uk2A:
33.0		 5hg0B-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  30
GLY A  32
VAL A 129
LYS A 146
ASP A 147
LEU A 181
 AMP  A 280 (-4.7A)
AMP  A 280 ( 3.9A)
None
None
MLT  A 284 ( 3.5A)
AMP  A 280 (-4.4A)
 1.22A 5hg0B-3uk2A:
33.0		 5hg0B-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) 		6 HIS A  34
GLY A  36
HIS A  37
LEU A  40
TYR A  70
VAL A 127
 AMP  A 301 ( 4.5A)
AMP  A 301 ( 3.9A)
AMP  A 301 (-3.9A)
AMP  A 301 (-4.8A)
None
PAU  A 302 (-3.9A)
 1.11A 5hg0B-3uy4A:
32.7		 5hg0B-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) 		8 HIS A  34
GLY A  36
HIS A  37
LEU A  40
TYR A  70
VAL A 130
GLY A 146
ASP A 149
 AMP  A 301 ( 4.5A)
AMP  A 301 ( 3.9A)
AMP  A 301 (-3.9A)
AMP  A 301 (-4.8A)
None
None
AMP  A 301 (-3.3A)
PAU  A 302 ( 3.7A)
 0.23A 5hg0B-3uy4A:
32.7		 5hg0B-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) 		8 HIS A  34
GLY A  36
LEU A  40
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)
None
None
AMP  A 301 (-3.3A)
None
PAU  A 302 ( 3.7A)
 0.55A 5hg0B-3uy4A:
32.7		 5hg0B-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.
4ade SUCCINYLORNITHINE
TRANSAMINASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 GLY A 279
HIS A 278
VAL A 225
GLY A 283
THR A 281
 None
 1.04A 5hg0B-4adeA:
undetectable		 5hg0B-4adeA:
22.27
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.
4f7k LACCASE

(uncultured
bacterium) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 373
GLY A 403
ASP A 368
THR A 405
LEU A 365
 None
 1.05A 5hg0B-4f7kA:
undetectable		 5hg0B-4f7kA:
19.39
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.
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 5hg0B-4g6zA:
5.4		 5hg0B-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.
4hzu PREDICTED MEMBRANE
PROTEIN

(Lactobacillus
brevis) 		PF07155
(ECF-ribofla_trS) 		5 GLY S  61
VAL S 150
GLY S  88
THR S  86
LEU S  81
 None
 1.06A 5hg0B-4hzuS:
undetectable		 5hg0B-4hzuS:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		5 HIS A 317
GLY A 319
HIS A 320
GLY A 453
ASP A 455
 None
TYM  A 701 (-3.6A)
TYM  A 701 ( 4.8A)
TYM  A 701 (-2.9A)
TYM  A 701 (-3.2A)
 1.01A 5hg0B-4j75A:
6.8		 5hg0B-4j75A:
22.72
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.
4jo0 CMLA

(Streptomyces
venezuelae) 		PF12706
(Lactamase_B_2) 		5 GLY A 376
HIS A 378
VAL A 492
GLY A 460
LEU A 375
 None
 1.08A 5hg0B-4jo0A:
undetectable		 5hg0B-4jo0A:
17.63
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.
4l3w LIPASE

(Rhizopus
microsporus) 		PF01764
(Lipase_3) 		5 HIS A 284
GLY A 203
HIS A 171
VAL A  60
GLY A 175
 None
 1.04A 5hg0B-4l3wA:
undetectable		 5hg0B-4l3wA:
19.69
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.
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
 1.01A 5hg0B-4mt1A:
undetectable		 5hg0B-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
 1.05A 5hg0B-4nuzA:
undetectable		 5hg0B-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.
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
 1.06A 5hg0B-4pmjA:
undetectable		 5hg0B-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.
4q51 UNCHARACTERIZED
PROTEIN

(Burkholderia
cenocepacia) 		PF10703
(MoaF)
PF17409
(MoaF_C) 		5 HIS A  85
LEU A  92
VAL A 264
ASP A 123
GLN A  93
 None
 1.12A 5hg0B-4q51A:
undetectable		 5hg0B-4q51A:
19.53
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.
4wso PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Burkholderia
thailandensis) 		PF01467
(CTP_transf_like) 		6 HIS A  42
GLY A  44
HIS A  45
LEU A  48
GLY A 136
ASP A 138
 PO4  A 302 ( 4.2A)
NAD  A 301 ( 3.8A)
PO4  A 302 ( 4.0A)
NAD  A 301 (-4.2A)
NAD  A 301 (-3.1A)
NAD  A 301 (-2.9A)
 1.02A 5hg0B-4wsoA:
7.2		 5hg0B-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.
4yxd SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
CYTOCHROME B SMALL
SUBUNIT,
MITOCHONDRIAL

(Sus scrofa;
Sus scrofa) 		PF01127
(Sdh_cyt)
PF05328
(CybS) 		5 HIS C 101
GLY C  49
HIS C  45
GLY D  83
LEU C  52
 HEM  C 301 (-3.4A)
HEM  C 301 (-3.6A)
HEM  C 301 (-4.7A)
HEM  C 301 (-3.3A)
HEM  C 301 (-4.1A)
 1.12A 5hg0B-4yxdC:
undetectable		 5hg0B-4yxdC:
22.30
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.
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
 0.95A 5hg0B-5aca3:
undetectable		 5hg0B-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.
5fo1 RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBF

(Corynebacterium
ammoniagenes) 		PF01687
(Flavokinase)
PF06574
(FAD_syn) 		5 GLY A  30
HIS A  31
LEU A  34
GLY A 123
LEU A 155
 None
PPV  A1339 (-3.8A)
None
None
None
 1.11A 5hg0B-5fo1A:
12.5		 5hg0B-5fo1A:
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.
5fo1 RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBF

(Corynebacterium
ammoniagenes) 		PF01687
(Flavokinase)
PF06574
(FAD_syn) 		5 HIS A  28
GLY A  30
HIS A  31
LEU A  34
GLY A 123
 PPV  A1339 (-3.7A)
None
PPV  A1339 (-3.8A)
None
None
 0.44A 5hg0B-5fo1A:
12.5		 5hg0B-5fo1A:
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.
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
 1.05A 5hg0B-5glgA:
undetectable		 5hg0B-5glgA:
23.01
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
HIS A  36
LEU A  39
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 (-4.0A)
SAM  A 301 ( 4.8A)
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)
 0.20A 5hg0B-5hg0A:
43.0		 5hg0B-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) 		7 HIS A  33
GLY A  35
HIS A  36
VAL A 132
LYS A 149
ASP A 150
LEU A 184
 SAM  A 301 (-4.5A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-4.0A)
None
SAM  A 301 (-3.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-4.3A)
 1.09A 5hg0B-5hg0A:
43.0		 5hg0B-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
ASP A 150
GLN A 176
 SAM  A 301 (-4.0A)
SAM  A 301 ( 3.7A)
None
SAM  A 301 (-3.1A)
SAM  A 301 (-4.2A)
None
 1.44A 5hg0B-5hg0A:
43.0		 5hg0B-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.
5ihx TYROSINE--TRNA
LIGASE,
MITOCHONDRIAL

(Aspergillus
nidulans) 		PF00579
(tRNA-synt_1b) 		5 HIS A 138
GLY A 140
HIS A 141
GLY A 297
ASP A 299
 None
 1.06A 5hg0B-5ihxA:
7.8		 5hg0B-5ihxA:
22.19
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.
5ijx TYROSINE--TRNA
LIGASE,
MITOCHONDRIAL

(Coccidioides
posadasii) 		PF00579
(tRNA-synt_1b) 		5 HIS A 125
GLY A 127
HIS A 128
GLY A 284
ASP A 286
 None
 0.94A 5hg0B-5ijxA:
7.2		 5hg0B-5ijxA:
21.21
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.
5jyg ACTIN-LIKE ATPASE

(Magnetospirillum
magneticum) 		PF06723
(MreB_Mbl) 		5 GLY A  19
HIS A  22
GLY A 163
ASP A 161
LEU A  18
 ADP  A 402 (-3.1A)
None
ADP  A 402 (-3.5A)
MG  A 401 (-3.8A)
None
 1.01A 5hg0B-5jygA:
undetectable		 5hg0B-5jygA:
21.45
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.
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
 1.10A 5hg0B-5l9wB:
undetectable		 5hg0B-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.
5nfh METHIONYL-TRNA
SYNTHETASE, PUTATIVE

(Trypanosoma
brucei) 		no annotation 5 GLY A 258
HIS A 259
VAL A 473
GLY A 516
ASP A 518
 None
 1.09A 5hg0B-5nfhA:
7.6		 5hg0B-5nfhA:
19.55
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.
5nfh METHIONYL-TRNA
SYNTHETASE, PUTATIVE

(Trypanosoma
brucei) 		no annotation 5 HIS A 256
GLY A 258
HIS A 259
VAL A 473
ASP A 518
 None
 1.00A 5hg0B-5nfhA:
7.6		 5hg0B-5nfhA:
19.55
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.
5o0d PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Mycobacteroides
abscessus) 		PF01467
(CTP_transf_like) 		5 GLY A  16
HIS A  17
GLY A  88
ASP A  94
THR A 118
 None
 1.08A 5hg0B-5o0dA:
8.4		 5hg0B-5o0dA:
22.73
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) 		10 HIS A  30
GLY A  32
HIS A  33
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 (-4.1A)
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)
 0.38A 5hg0B-5ucrA:
30.7		 5hg0B-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) 		7 HIS A  30
GLY A  32
HIS A  33
VAL A 129
LYS A 146
ASP A 147
LEU A 181
 ANP  A 301 (-4.4A)
ANP  A 301 (-3.6A)
ANP  A 301 (-4.1A)
None
ANP  A 301 (-2.8A)
ANP  A 301 (-3.7A)
ANP  A 301 (-4.5A)
 1.13A 5hg0B-5ucrA:
30.7		 5hg0B-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  33
GLY A  32
GLY A 144
LYS A 146
ASP A 147
THR A 172
 ANP  A 301 (-4.1A)
ANP  A 301 (-3.6A)
ANP  A 301 (-3.2A)
ANP  A 301 (-2.8A)
ANP  A 301 (-3.7A)
ANP  A 301 (-4.1A)
 1.24A 5hg0B-5ucrA:
30.7		 5hg0B-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
 1.03A 5hg0B-5wy5A:
undetectable		 5hg0B-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.
5x3d PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Streptomyces
wedmorensis) 		PF01467
(CTP_transf_like) 		5 HIS A  16
GLY A  18
HIS A  19
GLY A  92
ASP A  94
 7XL  A 201 (-4.4A)
7XL  A 201 ( 3.7A)
7XL  A 201 (-4.5A)
7XL  A 201 (-3.0A)
7XL  A 201 (-3.2A)
 0.99A 5hg0B-5x3dA:
8.6		 5hg0B-5x3dA:
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.
5ynl ARGINASE

(Glaciozyma
antarctica) 		no annotation 5 HIS A  32
GLY A  34
LEU A  38
GLY A 306
THR A 302
 None
 1.07A 5hg0B-5ynlA:
undetectable		 5hg0B-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.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 6 HIS A  18
GLY A  20
HIS A  21
VAL A 227
GLY A 261
ASP A 263
 ME8  A 801 (-3.8A)
ME8  A 801 (-3.6A)
ME8  A 801 (-4.3A)
None
ME8  A 801 (-2.9A)
ME8  A 801 (-3.1A)
 1.02A 5hg0B-6ax8A:
5.8		 5hg0B-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.
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
 1.05A 5hg0B-6en3A:
undetectable		 5hg0B-6en3A:
undetectable