SIMILAR PATTERNS OF AMINO ACIDS FOR 5AXD_A_RBVA502

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.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		5 HIS A 146
ASP A 237
THR A 247
GLY A 161
HIS A 160
 MN  A 351 (-3.3A)
MN  A 351 (-2.2A)
None
None
None
 1.42A 5axdA-1gq7A:
undetectable		 5axdA-1gq7A:
20.89
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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 HIS A 252
ASP A 169
THR A 118
LEU A 248
GLY A 247
 ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
TRS  A2922 ( 4.2A)
None
None
 1.32A 5axdA-1kq3A:
2.8		 5axdA-1kq3A:
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.
1p8r ARGINASE 1

(Rattus
norvegicus) 		PF00491
(Arginase) 		5 HIS A 126
ASP A 234
THR A 244
GLY A 142
HIS A 141
 MN  A 500 ( 3.2A)
MN  A 500 ( 2.1A)
None
S2C  A 551 ( 3.9A)
S2C  A 551 (-3.7A)
 1.49A 5axdA-1p8rA:
2.2		 5axdA-1p8rA:
21.41
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.
1rrm LACTALDEHYDE
REDUCTASE

(Escherichia
coli) 		PF00465
(Fe-ADH) 		5 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
 1.35A 5axdA-1rrmA:
2.8		 5axdA-1rrmA:
23.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ASP A 134
LYS A 230
ASP A 234
LEU A 389
HIS A 398
 ADN  A 502 (-3.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 3.5A)
 1.45A 5axdA-1v8bA:
55.7		 5axdA-1v8bA:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 HIS A  54
THR A  56
GLU A  58
ASP A 134
GLU A 200
THR A 201
LYS A 230
ASP A 234
LEU A 392
GLY A 397
HIS A 398
MET A 403
 ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-3.6A)
ADN  A 502 (-3.1A)
ADN  A 502 (-4.0A)
NAD  A 501 ( 2.8A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
 0.21A 5axdA-1v8bA:
55.7		 5axdA-1v8bA:
53.12
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		5 GLU A 632
ASP A 618
THR A 615
LEU A 628
GLY A 630
 None
 1.36A 5axdA-1wacA:
undetectable		 5axdA-1wacA:
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.
1z9n SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		5 HIS A 113
GLU A  73
ASP A 116
GLY A  94
HIS A  72
 ZN  A 201 (-3.1A)
None
ZN  A 201 (-2.1A)
None
CU  A 200 (-3.2A)
 1.30A 5axdA-1z9nA:
undetectable		 5axdA-1z9nA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z9p SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		5 HIS A 113
GLU A  73
ASP A 116
GLY A  94
HIS A  72
 ZN  A 201 (-3.1A)
None
ZN  A 201 (-2.2A)
None
CU  A 200 (-3.2A)
 1.26A 5axdA-1z9pA:
undetectable		 5axdA-1z9pA:
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.
2bq8 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Homo sapiens) 		PF00149
(Metallophos) 		5 THR X 136
ASP X  91
ASP X  12
LEU X  86
GLY X 183
 None
None
FE2  X1305 (-3.1A)
None
None
 1.16A 5axdA-2bq8X:
undetectable		 5axdA-2bq8X:
21.04
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 THR A 275
ASP A 300
GLU A 299
LYS A 205
ASP A 201
 None
 1.38A 5axdA-2pqdA:
undetectable		 5axdA-2pqdA:
22.45
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.
2pts ADENYLOSUCCINATE
LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		5 THR A 246
ASP A 336
THR A 338
LYS A 327
HIS A 251
 None
 1.49A 5axdA-2ptsA:
undetectable		 5axdA-2ptsA:
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.
2q09 IMIDAZOLONEPROPIONAS
E

(unidentified) 		PF01979
(Amidohydro_1) 		5 THR A 285
GLU A 139
ASP A 212
LEU A 287
HIS A 242
 None
None
None
None
FE  A 500 ( 3.5A)
 1.35A 5axdA-2q09A:
2.1		 5axdA-2q09A:
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.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00657
(Lipase_GDSL) 		5 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.32A 5axdA-2wabA:
4.5		 5axdA-2wabA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 ASP A 156
GLU A 218
THR A 219
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.23A 5axdA-3ce6A:
56.4		 5axdA-3ce6A:
55.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 HIS A  69
THR A  71
ASP A 156
GLU A 218
THR A 219
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 0.52A 5axdA-3ce6A:
56.4		 5axdA-3ce6A:
55.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  69
THR A  74
ASP A 156
THR A 219
ASP A 252
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
 1.31A 5axdA-3ce6A:
56.4		 5axdA-3ce6A:
55.06
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.
3f7l COPPER,ZINC
SUPEROXIDE DISMUTASE

(Alvinella
pompejana) 		PF00080
(Sod_Cu) 		5 HIS A  78
GLU A  47
ASP A  81
GLY A  60
HIS A  46
 ZN  A 203 (-3.1A)
SO4  A 209 (-3.4A)
ZN  A 203 (-2.2A)
None
CU1  A 201 ( 3.1A)
 1.27A 5axdA-3f7lA:
undetectable		 5axdA-3f7lA:
16.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 HIS A  52
THR A  54
ASP A 130
GLU A 155
THR A 156
LEU A 346
GLY A 351
HIS A 352
MET A 357
 ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-4.1A)
ADN  A 438 (-3.8A)
NAD  A 439 ( 3.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
 0.53A 5axdA-3g1uA:
61.1		 5axdA-3g1uA:
72.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 ASP A 139
GLU A 199
THR A 200
LYS A 229
ASP A 233
LEU A 385
HIS A 394
 RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
NAD  A 601 ( 3.6A)
 1.26A 5axdA-3glqA:
59.0		 5axdA-3glqA:
57.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 HIS A  62
THR A  64
ASP A 139
GLU A 199
THR A 200
LYS A 229
ASP A 233
LEU A 388
GLY A 393
HIS A 394
MET A 399
 RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
 0.40A 5axdA-3glqA:
59.0		 5axdA-3glqA:
57.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
THR A  67
ASP A 139
THR A 200
ASP A 233
 RAB  A 602 (-3.8A)
RAB  A 602 (-4.5A)
RAB  A 602 (-3.0A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-2.5A)
 1.36A 5axdA-3glqA:
59.0		 5axdA-3glqA:
57.06
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.
3h68 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5

(Homo sapiens) 		PF00149
(Metallophos)
PF08321
(PPP5) 		5 GLU A 305
THR A 306
ASP A 271
GLY A 276
HIS A 244
 None
None
ZN  A 500 (-2.8A)
None
ZN  A 501 ( 3.3A)
 1.48A 5axdA-3h68A:
undetectable		 5axdA-3h68A:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 ASP A 130
GLU A 155
LYS A 185
ASP A 189
LEU A 343
HIS A 352
 None
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 3.3A)
 1.28A 5axdA-3h9uA:
63.4		 5axdA-3h9uA:
72.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 HIS A  52
THR A  54
ASP A 130
GLU A 155
THR A 156
LYS A 185
ASP A 189
LEU A 346
GLY A 351
HIS A 352
MET A 357
 ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
None
NAD  A 438 (-3.8A)
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
 0.30A 5axdA-3h9uA:
63.4		 5axdA-3h9uA:
72.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  52
THR A  57
ASP A 130
THR A 156
ASP A 189
 ADN  A 439 ( 4.7A)
ADN  A 439 (-4.7A)
None
NAD  A 438 (-3.8A)
NAD  A 438 ( 4.4A)
 1.42A 5axdA-3h9uA:
63.4		 5axdA-3h9uA:
72.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.29A 5axdA-3n58A:
58.8		 5axdA-3n58A:
58.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 HIS A  55
THR A  57
ASP A 132
GLU A 192
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
 0.20A 5axdA-3n58A:
58.8		 5axdA-3n58A:
58.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.29A 5axdA-3n58A:
58.8		 5axdA-3n58A:
58.97
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.
3nio GUANIDINOBUTYRASE

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 HIS A 154
ASP A 245
THR A 255
GLY A 169
HIS A 168
 MN  A1602 (-3.3A)
MN  A1602 (-2.2A)
None
None
None
 1.34A 5axdA-3nioA:
undetectable		 5axdA-3nioA:
22.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.28A 5axdA-3oneA:
55.7		 5axdA-3oneA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 HIS A  62
THR A  64
ASP A 139
GLU A 205
THR A 206
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
 0.22A 5axdA-3oneA:
55.7		 5axdA-3oneA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
THR A  67
ASP A 139
THR A 206
ASP A 239
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
 1.31A 5axdA-3oneA:
55.7		 5axdA-3oneA:
56.97
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.
3qvf FOMA PROTEIN

(Streptomyces
wedmorensis) 		PF00696
(AA_kinase) 		5 ASP A 150
THR A 215
ASP A 208
GLY A  54
HIS A  58
 MG  A5000 (-4.0A)
None
ADP  A1260 ( 3.9A)
FV1  A4001 (-3.2A)
FV1  A4001 (-4.0A)
 1.30A 5axdA-3qvfA:
undetectable		 5axdA-3qvfA:
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.
3qvf FOMA PROTEIN

(Streptomyces
wedmorensis) 		PF00696
(AA_kinase) 		5 ASP A 150
THR A 215
ASP A 208
GLY A  57
HIS A  58
 MG  A5000 (-4.0A)
None
ADP  A1260 ( 3.9A)
FV1  A4001 (-3.4A)
FV1  A4001 (-4.0A)
 1.33A 5axdA-3qvfA:
undetectable		 5axdA-3qvfA:
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 THR A 171
ASP A  55
ASP A   5
GLY A 173
HIS A 198
 None
GOL  A 496 (-3.1A)
GOL  A 496 (-2.9A)
None
None
 1.39A 5axdA-3rreA:
6.2		 5axdA-3rreA:
24.00
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		5 HIS A 218
ASP A 325
THR A 335
GLY A 234
HIS A 233
 MN  A 412 ( 3.3A)
MN  A 412 ( 2.0A)
None
FB6  A 414 (-3.6A)
FB6  A 414 (-3.5A)
 1.29A 5axdA-3sl1A:
2.6		 5axdA-3sl1A:
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 ASP A 156
THR A 158
LYS A 171
LEU A 187
GLY A 188
 None
 1.32A 5axdA-3wiqA:
undetectable		 5axdA-3wiqA:
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.
4b43 TRANSLATION
INITIATION FACTOR
IF-2

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF04760
(IF2_N) 		5 HIS A 109
THR A 107
ASP A 126
THR A 127
ASP A  91
 None
 1.36A 5axdA-4b43A:
2.3		 5axdA-4b43A:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		5 HIS A 145
ASP A 253
THR A 263
GLY A 161
HIS A 160
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.0A)
None
38I  A 406 ( 3.7A)
38I  A 406 (-3.5A)
 1.30A 5axdA-4ixuA:
2.2		 5axdA-4ixuA:
19.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 383
HIS A 392
 ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
NAD  A 503 ( 3.9A)
ADN  A 501 (-3.5A)
 1.28A 5axdA-4lvcA:
58.3		 5axdA-4lvcA:
58.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 HIS A  58
THR A  60
ASP A 135
GLU A 197
THR A 198
LYS A 227
ASP A 231
LEU A 386
GLY A 391
HIS A 392
MET A 397
 ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
 0.16A 5axdA-4lvcA:
58.3		 5axdA-4lvcA:
58.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  58
THR A  63
ASP A 135
THR A 198
ASP A 231
 ADN  A 501 (-4.0A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-3.1A)
 1.28A 5axdA-4lvcA:
58.3		 5axdA-4lvcA:
58.09
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.
4q0w DNA REPAIR PROTEIN
RAD2

(Saccharomyces
cerevisiae) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 THR A 811
ASP A  77
GLU A 792
LYS A  84
ASP A 864
 None
None
CA  A1001 (-4.5A)
CA  A1001 ( 4.3A)
CA  A1001 (-4.2A)
 1.47A 5axdA-4q0wA:
2.7		 5axdA-4q0wA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3r ARGINASE

(Schistosoma
mansoni) 		PF00491
(Arginase) 		5 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.38A 5axdA-4q3rA:
2.2		 5axdA-4q3rA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bqs 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Streptococcus
pneumoniae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 THR A  80
GLU A 140
ASP A  84
LEU A  78
GLY A 138
 None
 1.32A 5axdA-5bqsA:
undetectable		 5axdA-5bqsA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5htv PUTATIVE XYLULOSE
KINASE

(Arabidopsis
thaliana) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 THR A 234
THR A 247
ASP A 283
LEU A 425
GLY A 208
 None
 1.22A 5axdA-5htvA:
undetectable		 5axdA-5htvA:
23.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 ASP A 137
THR A 212
LYS A 241
ASP A 245
LEU A 401
HIS A 410
 SAH  A 502 (-3.4A)
NAD  A 501 ( 4.1A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 3.5A)
 1.38A 5axdA-5utuA:
53.7		 5axdA-5utuA:
48.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 HIS A  53
THR A  55
GLU A  57
ASP A 137
GLU A 211
THR A 212
LYS A 241
ASP A 245
LEU A 404
GLY A 409
HIS A 410
MET A 415
 SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.7A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
NAD  A 501 ( 4.1A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
 0.35A 5axdA-5utuA:
53.7		 5axdA-5utuA:
48.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  53
THR A  58
ASP A 137
THR A 212
ASP A 245
 SAH  A 502 (-4.0A)
SAH  A 502 (-4.2A)
SAH  A 502 (-3.4A)
NAD  A 501 ( 4.1A)
SAH  A 502 (-2.8A)
 1.45A 5axdA-5utuA:
53.7		 5axdA-5utuA:
48.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 386
HIS A 395
 ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
ADN  A 502 ( 3.4A)
 1.29A 5axdA-5v96A:
58.1		 5axdA-5v96A:
57.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 HIS A  59
THR A  61
GLU A  63
ASP A 136
GLU A 197
THR A 198
LYS A 227
ASP A 231
LEU A 389
GLY A 394
HIS A 395
MET A 400
 ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.6A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
NAD  A 501 ( 2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.7A)
ADN  A 502 (-3.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
 0.12A 5axdA-5v96A:
58.1		 5axdA-5v96A:
57.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  59
THR A  64
ASP A 136
THR A 198
ASP A 231
 ADN  A 502 ( 3.9A)
ADN  A 502 (-4.4A)
ADN  A 502 (-2.9A)
NAD  A 501 ( 2.9A)
ADN  A 502 (-2.8A)
 1.25A 5axdA-5v96A:
58.1		 5axdA-5v96A:
57.14
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.
5vkt CINNAMYL ALCOHOL
DEHYDROGENASES
(SBCAD4)

(Sorghum bicolor) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLU A 221
ASP A 323
LEU A 191
GLY A 192
HIS A 196
 None
None
NAP  A 405 (-4.7A)
NAP  A 405 (-3.3A)
None
 1.49A 5axdA-5vktA:
3.7		 5axdA-5vktA:
23.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ASP A 131
LYS A 186
ASP A 190
HIS A 353
MET A 358
 None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
 1.03A 5axdA-5w4bA:
55.4		 5axdA-5w4bA:
96.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLU A  59
ASP A 131
LYS A 186
HIS A 353
MET A 358
 9W4  A 502 (-3.8A)
None
None
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
 0.83A 5axdA-5w4bA:
55.4		 5axdA-5w4bA:
96.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 HIS A  55
THR A  57
ASP A 131
THR A 157
LYS A 186
ASP A 190
MET A 358
 9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
 0.77A 5axdA-5w4bA:
55.4		 5axdA-5w4bA:
96.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 HIS A  55
THR A  57
GLU A  59
ASP A 131
GLU A 156
THR A 157
LYS A 186
MET A 358
 9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
9W4  A 502 (-3.8A)
None
None
None
None
9W4  A 502 (-3.6A)
 0.74A 5axdA-5w4bA:
55.4		 5axdA-5w4bA:
96.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  55
THR A  60
ASP A 131
THR A 157
ASP A 190
 9W4  A 502 (-3.7A)
None
None
None
NAD  A 501 (-4.1A)
 1.46A 5axdA-5w4bA:
55.4		 5axdA-5w4bA:
96.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LYS A 186
ASP A 190
LEU A 347
GLY A 352
HIS A 353
MET A 358
 None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
 0.94A 5axdA-5w4bA:
55.4		 5axdA-5w4bA:
96.97
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.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		5 HIS A 254
ASP A 171
THR A 120
LEU A 250
GLY A 249
 ZN  A 401 (-3.4A)
ZN  A 401 (-2.3A)
None
None
None
 1.25A 5axdA-5xn8A:
undetectable		 5axdA-5xn8A:
23.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 ASP A 136
GLU A 161
THR A 162
LYS A 191
ASP A 195
LEU A 349
HIS A 358
 ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
NAD  A 500 ( 2.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 3.5A)
 1.35A 5axdA-6aphA:
63.5		 5axdA-6aphA:
66.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 HIS A  58
THR A  60
ASP A 136
GLU A 161
THR A 162
LYS A 191
ASP A 195
LEU A 352
GLY A 357
HIS A 358
MET A 363
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
NAD  A 500 ( 2.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
 0.54A 5axdA-6aphA:
63.5		 5axdA-6aphA:
66.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  58
THR A  63
ASP A 136
THR A 162
ASP A 195
 ADN  A 501 (-3.9A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
NAD  A 500 ( 2.9A)
ADN  A 501 (-2.7A)
 1.27A 5axdA-6aphA:
63.5		 5axdA-6aphA:
66.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 6 ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
HIS B 382
 ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
NAD  B 501 ( 3.9A)
ADN  B 502 (-3.4A)
 1.21A 5axdA-6f3mB:
57.1		 5axdA-6f3mB:
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.
6f3m -

(-) 		no annotation 11 HIS B  61
THR B  63
ASP B 139
GLU B 164
THR B 165
LYS B 194
ASP B 198
LEU B 376
GLY B 381
HIS B 382
MET B 387
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
NAD  B 501 ( 2.8A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
 0.23A 5axdA-6f3mB:
57.1		 5axdA-6f3mB:
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.
6f3m -

(-) 		no annotation 5 HIS B  61
THR B  66
ASP B 139
THR B 165
ASP B 198
 ADN  B 502 ( 4.0A)
ADN  B 502 (-4.6A)
ZN  B 505 ( 2.5A)
NAD  B 501 ( 2.8A)
ADN  B 502 (-2.7A)
 1.32A 5axdA-6f3mB:
57.1		 5axdA-6f3mB:
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.
6gbn -

(-) 		no annotation 6 ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
HIS A 356
 ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.9A)
ADN  A 501 (-3.4A)
 1.27A 5axdA-6gbnA:
63.6		 5axdA-6gbnA:
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.
6gbn -

(-) 		no annotation 11 HIS A  56
THR A  58
ASP A 134
GLU A 159
THR A 160
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
 0.19A 5axdA-6gbnA:
63.6		 5axdA-6gbnA:
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.
6gbn -

(-) 		no annotation 6 HIS A  56
THR A  61
ASP A 134
GLU A 159
THR A 160
ASP A 193
 ADN  A 501 (-3.9A)
ADN  A 501 (-4.6A)
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-2.7A)
 1.24A 5axdA-6gbnA:
63.6		 5axdA-6gbnA:
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.
1cvr GINGIPAIN R

(Porphyromonas
gingivalis) 		PF01364
(Peptidase_C25)
PF03785
(Peptidase_C25_C) 		3 THR A 123
HIS A 226
LEU A 230
 None
 0.75A 5axdA-1cvrA:
4.3		 5axdA-1cvrA:
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.
1ezv CYTOCHROME C1

(Saccharomyces
cerevisiae) 		PF02167
(Cytochrom_C1) 		3 THR D 114
HIS D 105
LEU D 255
 None
HEM  D   3 (-3.2A)
None
 0.77A 5axdA-1ezvD:
undetectable		 5axdA-1ezvD:
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.
1f1u HOMOPROTOCATECHUATE
2,3-DIOXYGENASE

(Arthrobacter
globiformis) 		PF00903
(Glyoxalase) 		3 THR A 109
HIS A 155
LEU A 153
 None
MN  A 500 (-3.4A)
None
 0.75A 5axdA-1f1uA:
undetectable		 5axdA-1f1uA:
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.
1g6q HNRNP ARGININE
N-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF06325
(PrmA) 		3 THR 1 110
HIS 1 153
LEU 1 116
 None
 0.73A 5axdA-1g6q1:
5.5		 5axdA-1g6q1:
21.19
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.
1goj KINESIN HEAVY CHAIN

(Neurospora
crassa) 		PF00225
(Kinesin) 		3 THR A  72
HIS A 209
LEU A 291
 None
 0.76A 5axdA-1gojA:
undetectable		 5axdA-1gojA:
22.12
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.
1lm5 SUBDOMAIN OF
DESMOPLAKIN
CARBOXY-TERMINAL
DOMAIN (DPCT)

(Homo sapiens) 		PF00681
(Plectin) 		3 THR A2733
HIS A2662
LEU A2800
 None
 0.77A 5axdA-1lm5A:
undetectable		 5axdA-1lm5A:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m72 CASPASE-1

(Spodoptera
frugiperda) 		PF00656
(Peptidase_C14) 		3 THR A  82
HIS A 148
LEU A  76
 None
 0.80A 5axdA-1m72A:
4.1		 5axdA-1m72A:
19.05
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.
1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)

(Sus scrofa) 		PF00042
(Globin) 		3 THR A  39
HIS A  24
LEU A 105
 HEM  A 650 ( 4.7A)
None
None
 0.71A 5axdA-1qpwA:
undetectable		 5axdA-1qpwA:
17.39
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.
1sr4 CYTOLETHAL
DISTENDING TOXIN
PROTEIN B

([Haemophilus]
ducreyi) 		PF03372
(Exo_endo_phos) 		3 THR B  31
HIS B 243
LEU B  24
 None
 0.75A 5axdA-1sr4B:
undetectable		 5axdA-1sr4B:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u0o VON WILLEBRAND
FACTOR

(Mus musculus) 		PF00092
(VWA) 		3 THR C 581
HIS C 616
LEU C 568
 None
 0.79A 5axdA-1u0oC:
4.2		 5axdA-1u0oC:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		3 THR A 193
HIS A 202
LEU A 106
 None
 0.73A 5axdA-1ur4A:
undetectable		 5axdA-1ur4A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ybw HEPATOCYTE GROWTH
FACTOR ACTIVATOR
PRECURSOR

(Homo sapiens) 		PF00089
(Trypsin) 		3 THR A 632
HIS A 438
LEU A 522
 None
 0.66A 5axdA-1ybwA:
undetectable		 5axdA-1ybwA:
20.19
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.
1yqd SINAPYL ALCOHOL
DEHYDROGENASE

(Populus
tremuloides) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 THR A 309
HIS A  51
LEU A 195
 None
NAP  A 500 (-3.8A)
NAP  A 500 (-3.4A)
 0.77A 5axdA-1yqdA:
7.9		 5axdA-1yqdA:
20.76
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		3 THR A 193
HIS A 155
LEU A 302
 None
 0.69A 5axdA-1yw6A:
undetectable		 5axdA-1yw6A:
23.75
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.
1zmr PHOSPHOGLYCERATE
KINASE

(Escherichia
coli) 		PF00162
(PGK) 		3 THR A  43
HIS A 152
LEU A 381
 None
 0.75A 5axdA-1zmrA:
4.4		 5axdA-1zmrA:
23.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aj4 GALACTOKINASE

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		3 THR A 291
HIS A 396
LEU A 310
 None
 0.83A 5axdA-2aj4A:
undetectable		 5axdA-2aj4A:
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.
2bzu FIBER PROTEIN 2

(Human
mastadenovirus
F) 		PF00541
(Adeno_knob) 		3 THR A 305
HIS A 375
LEU A 272
 None
 0.80A 5axdA-2bzuA:
undetectable		 5axdA-2bzuA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		3 THR A 254
HIS A 194
LEU A  91
 None
 0.80A 5axdA-2cb1A:
2.6		 5axdA-2cb1A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d5m FLAVOREDOXIN

(Desulfovibrio
vulgaris) 		PF01613
(Flavin_Reduct) 		3 THR A  54
HIS A 124
LEU A 122
 FMN  A1001 (-4.0A)
None
None
 0.52A 5axdA-2d5mA:
undetectable		 5axdA-2d5mA:
17.97
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.
2eq5 228AA LONG
HYPOTHETICAL
HYDANTOIN RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		3 THR A 180
HIS A 212
LEU A 107
 None
 0.69A 5axdA-2eq5A:
2.0		 5axdA-2eq5A:
20.05
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.
2g7z CONSERVED
HYPOTHETICAL PROTEIN
SPY1493

(Streptococcus
pyogenes) 		PF02645
(DegV) 		3 THR A 267
HIS A  89
LEU A  29
 HXA  A9136 ( 4.2A)
None
None
 0.80A 5axdA-2g7zA:
2.1		 5axdA-2g7zA:
22.77
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.
2gtt NUCLEOPROTEIN

(Rabies
lyssavirus) 		PF00945
(Rhabdo_ncap) 		3 THR A 252
HIS A 262
LEU A 311
 None
 0.81A 5axdA-2gttA:
undetectable		 5axdA-2gttA:
24.00
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.
2hi9 PLASMA SERINE
PROTEASE INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		3 THR A 141
HIS A 330
LEU A 168
 None
 0.80A 5axdA-2hi9A:
undetectable		 5axdA-2hi9A:
21.81
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.
2jsd MATRIX
METALLOPROTEINASE-20

(Homo sapiens) 		PF00413
(Peptidase_M10) 		3 THR A 203
HIS A 257
LEU A 243
 None
 0.73A 5axdA-2jsdA:
undetectable		 5axdA-2jsdA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nxo HYPOTHETICAL PROTEIN
SCO4506

(Streptomyces
coelicolor) 		PF02621
(VitK2_biosynth) 		3 THR A 107
HIS A 169
LEU A 171
 None
 0.80A 5axdA-2nxoA:
undetectable		 5axdA-2nxoA:
20.09
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.
2oox HYPOTHETICAL PROTEIN
C1556.08C IN
CHROMOSOME I

(Schizosaccharomyces
pombe) 		no annotation 3 THR G 177
HIS G 289
LEU G 306
 None
 0.75A 5axdA-2ooxG:
undetectable		 5axdA-2ooxG:
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.
2q8q IRON-REGULATED
SURFACE DETERMINANT
E

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		3 THR A 271
HIS A  92
LEU A 132
 HEM  A 300 (-4.3A)
None
None
 0.83A 5axdA-2q8qA:
3.7		 5axdA-2q8qA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD

(Lactobacillus
paracasei) 		PF04909
(Amidohydro_2) 		3 THR A 253
HIS A 227
LEU A 175
 None
ZN  A 377 (-3.1A)
None
 0.81A 5axdA-2qpxA:
undetectable		 5axdA-2qpxA:
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.
2r0l HEPATOCYTE GROWTH
FACTOR ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		3 THR A 229
HIS A  48
LEU A 123
 None
 0.80A 5axdA-2r0lA:
undetectable		 5axdA-2r0lA:
20.24
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		3 THR A 551
HIS A 157
LEU A 538
 None
 0.70A 5axdA-2wskA:
undetectable		 5axdA-2wskA:
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.
2zec TRYPTASE BETA 2

(Homo sapiens) 		PF00089
(Trypsin) 		3 THR A 124
HIS A 254
LEU A 109
 None
 0.79A 5axdA-2zecA:
undetectable		 5axdA-2zecA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zgh GRANZYME M

(Homo sapiens) 		PF00089
(Trypsin) 		3 THR A 215
HIS A  32
LEU A 107
 None
 0.74A 5axdA-2zghA:
undetectable		 5axdA-2zghA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3g LUMAZINE PROTEIN

(Photobacterium
kishitanii) 		PF00677
(Lum_binding) 		3 THR A  71
HIS A 137
LEU A  98
 None
 0.70A 5axdA-3a3gA:
undetectable		 5axdA-3a3gA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3g LUMAZINE PROTEIN

(Photobacterium
kishitanii) 		PF00677
(Lum_binding) 		3 THR A  71
HIS A 145
LEU A 169
 None
 0.61A 5axdA-3a3gA:
undetectable		 5axdA-3a3gA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cv2 MALATE SYNTHASE A

(Escherichia
coli) 		PF01274
(Malate_synthase) 		3 THR A 216
HIS A  39
LEU A 188
 None
 0.77A 5axdA-3cv2A:
undetectable		 5axdA-3cv2A:
21.34
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		3 THR A1257
HIS A1352
LEU A1354
 None
 0.81A 5axdA-3ecqA:
undetectable		 5axdA-3ecqA:
13.98
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.
3elk PUTATIVE
TRANSCRIPTIONAL
REGULATOR TA0346

(Thermoplasma
acidophilum) 		PF03551
(PadR) 		3 THR A  40
HIS A  92
LEU A  96
 None
 0.79A 5axdA-3elkA:
undetectable		 5axdA-3elkA:
13.86
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.
3fjy PROBABLE MUTT1
PROTEIN

(Bifidobacterium
adolescentis) 		PF00293
(NUDIX)
PF00300
(His_Phos_1) 		3 THR A 173
HIS A  72
LEU A  88
 None
 0.78A 5axdA-3fjyA:
undetectable		 5axdA-3fjyA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fzg 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		3 THR A 155
HIS A  83
LEU A 146
 None
SAM  A 300 (-4.4A)
None
 0.61A 5axdA-3fzgA:
4.6		 5axdA-3fzgA:
17.72
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 3 THR L 233
HIS L  89
LEU S 371
 None
 0.77A 5axdA-3g9kL:
undetectable		 5axdA-3g9kL:
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.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		3 THR A 335
HIS A 464
LEU A 436
 None
 0.73A 5axdA-3gcwA:
3.2		 5axdA-3gcwA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1i CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL

(Gallus gallus) 		PF00355
(Rieske)
PF02921
(UCR_TM) 		3 THR E 140
HIS E 122
LEU E 117
 None
 0.80A 5axdA-3h1iE:
undetectable		 5axdA-3h1iE:
15.74
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.
3h1l MITOCHONDRIAL
CYTOCHROME C1, HEME
PROTEIN

(Gallus gallus) 		PF02167
(Cytochrom_C1) 		3 THR D  55
HIS D  41
LEU D 190
 None
HEC  D 501 (-3.2A)
None
 0.77A 5axdA-3h1lD:
undetectable		 5axdA-3h1lD:
20.47
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.
3h87 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF01850
(PIN) 		3 THR A 131
HIS A  92
LEU A 100
 None
 0.62A 5axdA-3h87A:
undetectable		 5axdA-3h87A:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hn8 SYNAPTOTAGMIN-3

(Rattus
norvegicus) 		PF00168
(C2) 		3 THR A 491
HIS A 563
LEU A 565
 None
 0.82A 5axdA-3hn8A:
undetectable		 5axdA-3hn8A:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ioy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Novosphingobium
aromaticivorans) 		PF00106
(adh_short) 		3 THR A 148
HIS A 230
LEU A 195
 None
 0.82A 5axdA-3ioyA:
7.2		 5axdA-3ioyA:
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.
3jav INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08454
(RIH_assoc)
PF08709
(Ins145_P3_rec) 		3 THR A 113
HIS A 125
LEU A 123
 None
 0.81A 5axdA-3javA:
undetectable		 5axdA-3javA:
10.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3keb PROBABLE THIOL
PEROXIDASE

(Chromobacterium
violaceum) 		no annotation 3 THR A 111
HIS A  62
LEU A 130
 None
 0.76A 5axdA-3kebA:
2.3		 5axdA-3kebA:
20.05
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.
3kyh MRNA-CAPPING ENZYME
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF02940
(mRNA_triPase) 		3 THR A 292
HIS A 338
LEU A 416
 None
 0.56A 5axdA-3kyhA:
undetectable		 5axdA-3kyhA:
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.
3m07 PUTATIVE ALPHA
AMYLASE

(Salmonella
enterica) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		3 THR A 502
HIS A 119
LEU A 485
 None
 0.72A 5axdA-3m07A:
undetectable		 5axdA-3m07A:
20.76
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.
3m07 PUTATIVE ALPHA
AMYLASE

(Salmonella
enterica) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		3 THR A 502
HIS A 392
LEU A 428
 None
BTB  A 605 (-4.1A)
None
 0.79A 5axdA-3m07A:
undetectable		 5axdA-3m07A:
20.76
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.
3mn8 LP15968P

(Drosophila
melanogaster) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		3 THR A 379
HIS A 281
LEU A 241
 None
 0.74A 5axdA-3mn8A:
2.5		 5axdA-3mn8A:
21.65
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.
3nsj PERFORIN-1

(Mus musculus) 		PF00168
(C2)
PF01823
(MACPF) 		3 THR A 449
HIS A 505
LEU A 477
 GOL  A 653 (-4.6A)
None
None
 0.83A 5axdA-3nsjA:
undetectable		 5axdA-3nsjA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ocj PUTATIVE EXPORTED
PROTEIN

(Bordetella
parapertussis) 		PF13847
(Methyltransf_31) 		3 THR A  68
HIS A 172
LEU A 153
 PLM  A 305 ( 4.5A)
None
None
 0.78A 5axdA-3ocjA:
5.2		 5axdA-3ocjA:
20.83
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.
3oky PLEXIN-A2

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		3 THR A 600
HIS A 565
LEU A 580
 None
 0.73A 5axdA-3okyA:
undetectable		 5axdA-3okyA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3two MANNITOL
DEHYDROGENASE

(Helicobacter
pylori) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 THR A 299
HIS A  43
LEU A 188
 None
NDP  A 601 (-4.0A)
NDP  A 601 (-3.5A)
 0.77A 5axdA-3twoA:
5.5		 5axdA-3twoA:
22.86
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.
3uf6 LMO1369 PROTEIN

(Listeria
monocytogenes) 		PF01515
(PTA_PTB) 		3 THR A 282
HIS A 100
LEU A 108
 None
 0.77A 5axdA-3uf6A:
undetectable		 5axdA-3uf6A:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ugg SUCROSE:(SUCROSE/FRU
CTAN)
6-FRUCTOSYLTRANSFERA
SE

(Pachysandra
terminalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 THR A 207
HIS A 237
LEU A 201
 None
 0.82A 5axdA-3uggA:
undetectable		 5axdA-3uggA:
21.55
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.
3uog ALCOHOL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 THR A  10
HIS A 327
LEU A  42
 None
 0.80A 5axdA-3uogA:
2.4		 5axdA-3uogA:
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.
4ak1 BT_4661

(Bacteroides
thetaiotaomicron) 		PF16319
(DUF4958) 		3 THR A 464
HIS A 534
LEU A 436
 None
 0.77A 5axdA-4ak1A:
undetectable		 5axdA-4ak1A:
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.
4ak2 BT_4661

(Bacteroides
thetaiotaomicron) 		PF16319
(DUF4958) 		3 THR A 464
HIS A 534
LEU A 436
 None
 0.78A 5axdA-4ak2A:
undetectable		 5axdA-4ak2A:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4btm TAU-TUBULIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		3 THR A 208
HIS A 113
LEU A 108
 None
 0.76A 5axdA-4btmA:
undetectable		 5axdA-4btmA:
21.63
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.
4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		3 THR A 271
HIS A 305
LEU A 282
 None
 0.79A 5axdA-4bubA:
4.5		 5axdA-4bubA:
22.45
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.
4dgw PRE-MRNA-SPLICING
FACTOR PRP21
PRE-MRNA-SPLICING
FACTOR PRP9

(Saccharomyces
cerevisiae) 		PF01805
(Surp)
PF12171
(zf-C2H2_jaz)
PF16837
(SF3A3)
PF16958
(PRP9_N) 		3 THR B 168
HIS A  77
LEU A 250
 None
 0.77A 5axdA-4dgwB:
undetectable		 5axdA-4dgwB:
15.42
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.
4dy0 GLIA-DERIVED NEXIN

(Homo sapiens) 		PF00079
(Serpin) 		3 THR A 142
HIS A 319
LEU A 150
 None
GOL  A 404 ( 4.7A)
None
 0.75A 5axdA-4dy0A:
undetectable		 5axdA-4dy0A:
20.65
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.
4frz KINESIN-LIKE
CALMODULIN-BINDING
PROTEIN

(Arabidopsis
thaliana) 		PF00225
(Kinesin) 		3 THR A 990
HIS A1076
LEU A1027
 None
 0.74A 5axdA-4frzA:
undetectable		 5axdA-4frzA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH)
PF00571
(CBS) 		3 THR A 156
HIS A  98
LEU A 194
 None
 0.78A 5axdA-4fxsA:
undetectable		 5axdA-4fxsA:
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.
4nf2 ORNITHINE
CARBAMOYLTRANSFERASE

(Bacillus
anthracis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 THR A  11
HIS A 169
LEU A 173
 None
 0.78A 5axdA-4nf2A:
4.5		 5axdA-4nf2A:
22.15
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.
4nfn TAU-TUBULIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		3 THR A 184
HIS A  89
LEU A  84
 None
 0.80A 5axdA-4nfnA:
undetectable		 5axdA-4nfnA:
21.38
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.
4o3m BLOOM SYNDROME
PROTEIN

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF00570
(HRDC)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		3 THR A 999
HIS A1091
LEU A1114
 None
 0.61A 5axdA-4o3mA:
undetectable		 5axdA-4o3mA:
22.85
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.
4qre METHIONYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		3 THR A 476
HIS A  23
LEU A  82
 None
ATP  A 602 (-3.9A)
None
 0.66A 5axdA-4qreA:
undetectable		 5axdA-4qreA:
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		3 THR A3315
HIS A3237
LEU A3307
 None
 0.78A 5axdA-4tktA:
undetectable		 5axdA-4tktA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x9x DEGV
DOMAIN-CONTAINING
PROTEIN MW1315

(Staphylococcus
aureus) 		PF02645
(DegV) 		3 THR A 267
HIS A  87
LEU A  29
 OLA  A 301 ( 3.4A)
None
OLA  A 301 (-4.4A)
 0.67A 5axdA-4x9xA:
2.5		 5axdA-4x9xA:
20.09
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.
4zi6 CYTOSOL
AMINOPEPTIDASE

(Helicobacter
pylori) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		3 THR A 369
HIS A 413
LEU A 417
 None
 0.71A 5axdA-4zi6A:
undetectable		 5axdA-4zi6A:
22.55
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.
4zmu DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF)
PF01590
(GAF) 		3 THR A 187
HIS A 199
LEU A 255
 None
 0.78A 5axdA-4zmuA:
undetectable		 5axdA-4zmuA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5axk TRNA(HIS)-5'-GUANYLY
LTRANSFERASE (THG1)
LIKE PROTEIN

(Methanosarcina
acetivorans) 		PF04446
(Thg1)
PF14413
(Thg1C) 		3 THR A  76
HIS A 128
LEU A 236
 None
 0.72A 5axdA-5axkA:
undetectable		 5axdA-5axkA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF

(Serratia sp.
FS14) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		3 THR A 718
HIS A 705
LEU A 760
 None
 0.81A 5axdA-5cioA:
undetectable		 5axdA-5cioA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dgo CELL DIVISION
CONTROL PROTEIN 45
HOMOLOG

(Homo sapiens) 		PF02724
(CDC45) 		3 THR A 225
HIS A 369
LEU A 412
 None
None
EDO  A 601 ( 4.2A)
 0.79A 5axdA-5dgoA:
3.0		 5axdA-5dgoA:
21.09
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		3 THR A 283
HIS A 705
LEU A  71
 None
NAG  A1802 (-4.3A)
None
 0.75A 5axdA-5fjjA:
3.6		 5axdA-5fjjA:
19.79
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.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum) 		PF03662
(Glyco_hydro_79n) 		3 THR A 217
HIS A 233
LEU A 281
 None
 0.62A 5axdA-5g0qA:
undetectable		 5axdA-5g0qA:
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.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		3 THR A 366
HIS A 266
LEU A 264
 None
 0.81A 5axdA-5h6sA:
undetectable		 5axdA-5h6sA:
22.18
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.
5hee PUTATIVE
UNCHARACTERIZED
PROTEIN, TK2203
PROTEIN

(Thermococcus
kodakarensis) 		PF02900
(LigB) 		3 THR A 118
HIS A  55
LEU A 103
 None
ZN  A1003 (-3.2A)
None
 0.79A 5axdA-5heeA:
undetectable		 5axdA-5heeA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hgc SERPIN

(Taeniopygia
guttata) 		PF00079
(Serpin) 		3 THR A 150
HIS A 339
LEU A 177
 None
 0.77A 5axdA-5hgcA:
undetectable		 5axdA-5hgcA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		3 THR A 372
HIS A  65
LEU A 112
 None
 0.73A 5axdA-5j44A:
undetectable		 5axdA-5j44A:
18.61
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.
5k3w CPUTA1

(Curtobacterium
pusillum) 		PF01063
(Aminotran_4) 		3 THR A 180
HIS A 160
LEU A 206
 None
 0.82A 5axdA-5k3wA:
undetectable		 5axdA-5k3wA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbp GLYCOSYL HYDROLASE,
FAMILY 38

(Enterococcus
faecalis) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		3 THR A 126
HIS A 108
LEU A 142
 None
 0.60A 5axdA-5kbpA:
undetectable		 5axdA-5kbpA:
19.42
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.
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF00386
(C1q)
PF01094
(ANF_receptor) 		3 THR A 212
HIS A 599
LEU A 839
 None
 0.57A 5axdA-5kcaA:
4.1		 5axdA-5kcaA:
18.86
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.
5mg8 STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
5

(Schizosaccharomyces
pombe) 		no annotation 3 THR A 484
HIS A 605
LEU A 624
 None
 0.77A 5axdA-5mg8A:
undetectable		 5axdA-5mg8A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n3u PHYCOCYANOBILIN
LYASE SUBUNIT ALPHA

(Nostoc sp. PCC
7120) 		no annotation 3 THR A 190
HIS A 173
LEU A 152
 None
 0.71A 5axdA-5n3uA:
undetectable		 5axdA-5n3uA:
10.88
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE
ARSENITE OXIDASE
SMALL SUBUNIT AIOB
RIESKE [2FE-2S]
CLUSTER

(Rhizobium sp.
NT-26) 		no annotation 3 THR A 782
HIS B 124
LEU A 240
 None
FES  B 201 (-3.3A)
None
 0.73A 5axdA-5nqdA:
undetectable		 5axdA-5nqdA:
12.70
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.
5o5o RNASE ADAPTER
PROTEIN RAPZ

(Escherichia
coli) 		PF03668
(ATP_bind_2) 		3 THR A 222
HIS A 252
LEU A 209
 None
 0.69A 5axdA-5o5oA:
undetectable		 5axdA-5o5oA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o5s RNASE ADAPTER
PROTEIN RAPZ

(Escherichia
coli) 		PF03668
(ATP_bind_2) 		3 THR A 222
HIS A 252
LEU A 209
 None
MLI  A 301 (-3.7A)
None
 0.68A 5axdA-5o5sA:
undetectable		 5axdA-5o5sA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5okd CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL

(Bos taurus) 		no annotation 3 THR E 140
HIS E 122
LEU E 117
 None
 0.76A 5axdA-5okdE:
undetectable		 5axdA-5okdE:
10.77
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.
5t09 TYPE III SECRETION
SYSTEM EFFECTOR
HOPBA1

(Pseudomonas
syringae) 		no annotation 3 THR A  66
HIS A 106
LEU A 120
 None
 0.76A 5axdA-5t09A:
undetectable		 5axdA-5t09A:
20.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 THR A  58
HIS A 356
LEU A 401
 SAH  A 502 (-4.2A)
NAD  A 501 ( 4.4A)
NAD  A 501 (-4.1A)
 0.26A 5axdA-5utuA:
53.7		 5axdA-5utuA:
48.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 THR A  64
HIS A 342
LEU A 386
 ADN  A 502 (-4.4A)
NAD  A 501 ( 4.9A)
NAD  A 501 (-3.9A)
 0.12A 5axdA-5v96A:
58.1		 5axdA-5v96A:
57.14
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		3 THR A 536
HIS A 632
LEU A 589
 None
 0.70A 5axdA-5xogA:
undetectable		 5axdA-5xogA:
14.62
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.
6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE

(Mycobacterium
tuberculosis) 		no annotation 3 THR C   3
HIS C 109
LEU C  35
 None
MPD  C 302 (-4.3A)
None
 0.71A 5axdA-6eicC:
6.7		 5axdA-6eicC:
10.19
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 3 THR A 765
HIS A 975
LEU A 995
 None
 0.73A 5axdA-6etzA:
undetectable		 5axdA-6etzA:
11.89
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.
6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1

(Homo sapiens) 		no annotation 3 THR A 266
HIS A1068
LEU A 303
 None
 0.82A 5axdA-6f9nA:
undetectable		 5axdA-6f9nA:
11.41