SIMILAR PATTERNS OF AMINO ACIDS FOR 3N58_C_ADNC500

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.
1a5l UREASE (ALPHA
SUBUNIT)

(Klebsiella
aerogenes) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 THR C 169
ASP C 360
GLY C 278
HIS C 272
MET C 364
 None
 1.45A 3n58C-1a5lC:
2.6		 3n58C-1a5lC:
22.74
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.
1ac5 KEX1(DELTA)P

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		5 HIS A 150
ASP A 141
LEU A  49
LEU A  36
PHE A 185
 None
 1.27A 3n58C-1ac5A:
4.3		 3n58C-1ac5A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aua PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
SEC14P

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		5 THR A  25
ASP A  20
LYS A 116
ASP A 117
LEU A  22
 None
 1.28A 3n58C-1auaA:
undetectable		 3n58C-1auaA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 HIS A  78
ASP A  81
LEU A 135
GLY A  60
HIS A  46
 ZN  A 501 (-3.0A)
ZN  A 501 (-2.4A)
None
None
CU  A 502 (-3.2A)
 1.26A 3n58C-1eqwA:
undetectable		 3n58C-1eqwA:
13.65
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.
1eso CU, ZN SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00080
(Sod_Cu) 		5 HIS A  78
ASP A  81
LEU A 135
GLY A  60
HIS A  46
 ZN  A 149 ( 3.0A)
ZN  A 149 ( 2.4A)
None
None
CU  A 150 ( 3.3A)
 1.29A 3n58C-1esoA:
undetectable		 3n58C-1esoA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.40A 3n58C-1gq7A:
undetectable		 3n58C-1gq7A:
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.
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
 1.36A 3n58C-1rrmA:
2.3		 3n58C-1rrmA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uzg MAJOR ENVELOPE
PROTEIN E

(Dengue virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		5 THR A 313
THR A  40
ASP A  42
LEU A 319
PHE A  11
 None
 1.42A 3n58C-1uzgA:
undetectable		 3n58C-1uzgA:
21.40
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
THR A 201
LYS A 230
ASP A 234
LEU A 392
 ADN  A 502 (-3.1A)
NAD  A 501 ( 2.8A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.9A)
 1.09A 3n58C-1v8bA:
57.6		 3n58C-1v8bA:
54.07
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
ASP A 134
THR A 201
LYS A 230
ASP A 234
LEU A 389
LEU A 392
GLY A 397
HIS A 398
MET A 403
PHE A 407
 ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-3.1A)
NAD  A 501 ( 2.8A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
 0.43A 3n58C-1v8bA:
57.6		 3n58C-1v8bA:
54.07
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.
2aps PROTEIN (CU,ZN
SUPEROXIDE
DISMUTASE)

(Actinobacillus
pleuropneumoniae) 		PF00080
(Sod_Cu) 		5 HIS A 103
ASP A 106
LEU A 154
GLY A  84
HIS A  62
 ZN  A 400 ( 3.2A)
ZN  A 400 (-2.2A)
None
None
CU  A 402 ( 3.4A)
 1.25A 3n58C-2apsA:
undetectable		 3n58C-2apsA:
14.81
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.
2c46 MRNA CAPPING ENZYME

(Homo sapiens) 		PF00782
(DSPc) 		5 THR A  70
LYS A  88
ASP A  66
LEU A  31
HIS A 125
 None
 1.46A 3n58C-2c46A:
undetectable		 3n58C-2c46A:
18.95
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.
2ftz GERANYLTRANSTRANSFER
ASE

(Thermotoga
maritima) 		PF00348
(polyprenyl_synt) 		5 ASP A  48
THR A  44
GLY A 249
MET A 186
PHE A 176
 None
None
MLY  A 248 ( 2.4A)
None
MLY  A 181 ( 4.5A)
 1.14A 3n58C-2ftzA:
undetectable		 3n58C-2ftzA:
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.
2huo INOSITOL OXYGENASE

(Mus musculus) 		PF05153
(MIOX) 		5 ASP A  88
LYS A 127
ASP A 124
LEU A 254
HIS A 123
 INS  A 303 (-3.7A)
INS  A 303 (-2.6A)
FE  A 302 ( 2.5A)
None
FE  A 301 ( 3.2A)
 1.41A 3n58C-2huoA:
undetectable		 3n58C-2huoA:
19.67
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.
2pff FATTY ACID SYNTHASE
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF16073
(SAT) 		5 THR B 279
THR B 194
LEU B 187
LEU B 246
GLY B 242
 None
 1.37A 3n58C-2pffB:
undetectable		 3n58C-2pffB:
8.54
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.
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
 1.42A 3n58C-2ptsA:
undetectable		 3n58C-2ptsA:
23.25
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.
2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 HIS A 108
ASP A  94
THR A  96
LEU A  79
LEU A  82
 None
None
3CD  A 600 ( 4.8A)
None
None
 1.27A 3n58C-2xf8A:
4.8		 3n58C-2xf8A:
23.27
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 HIS A 615
ASP A 744
THR A 688
LEU A 613
GLY A 640
 None
 1.35A 3n58C-3ak5A:
undetectable		 3n58C-3ak5A:
19.26
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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 THR A 271
ASP A 300
LEU A  60
GLY A 262
HIS A 265
 None
 1.12A 3n58C-3b1rA:
4.5		 3n58C-3b1rA:
21.84
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 ASP A 156
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.37A 3n58C-3ce6A:
59.0		 3n58C-3ce6A:
60.56
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 ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.15A 3n58C-3ce6A:
59.0		 3n58C-3ce6A:
60.56
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) 		12 HIS A  69
THR A  71
ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.22A 3n58C-3ce6A:
59.0		 3n58C-3ce6A:
60.56
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 HIS A  69
THR A  74
ASP A 156
THR A 219
ASP A 252
MET A 421
 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)
ADN  A 500 (-3.7A)
 1.36A 3n58C-3ce6A:
59.0		 3n58C-3ce6A:
60.56
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.
3d8k PROTEIN PHOSPHATASE
2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		5 THR A 330
ASP A 328
GLY A 249
HIS A 268
PHE A 164
 None
 1.21A 3n58C-3d8kA:
undetectable		 3n58C-3d8kA:
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.
3fsg ALPHA/BETA
SUPERFAMILY
HYDROLASE

(Oenococcus oeni) 		PF12697
(Abhydrolase_6) 		5 THR A  74
LEU A  52
LEU A  24
GLY A  96
PHE A 193
 None
 1.26A 3n58C-3fsgA:
undetectable		 3n58C-3fsgA:
19.43
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) 		10 HIS A  52
THR A  54
ASP A 130
THR A 156
LEU A 343
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
 ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-4.1A)
NAD  A 439 ( 3.0A)
NAD  A 439 ( 4.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
 0.50A 3n58C-3g1uA:
55.9		 3n58C-3g1uA:
58.65
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 HIS A  62
ASP A 139
THR A 200
LYS A 229
ASP A 233
LEU A 385
HIS A 394
 RAB  A 602 (-3.8A)
RAB  A 602 (-3.0A)
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)
 1.39A 3n58C-3glqA:
62.5		 3n58C-3glqA:
67.51
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) 		12 HIS A  62
THR A  64
ASP A 139
THR A 200
LYS A 229
ASP A 233
LEU A 385
LEU A 388
GLY A 393
HIS A 394
MET A 399
PHE A 403
 RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.20A 3n58C-3glqA:
62.5		 3n58C-3glqA:
67.51
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) 		6 HIS A  62
THR A  67
ASP A 139
THR A 200
ASP A 233
MET A 399
 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)
RAB  A 602 (-3.6A)
 1.41A 3n58C-3glqA:
62.5		 3n58C-3glqA:
67.51
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 THR A  67
ASP A 139
THR A 200
ASP A 233
LEU A 388
 RAB  A 602 (-4.5A)
RAB  A 602 (-3.0A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 4.7A)
 1.40A 3n58C-3glqA:
62.5		 3n58C-3glqA:
67.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3goh ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Shewanella
oneidensis) 		PF08240
(ADH_N) 		5 ASP A  64
LEU A 128
LEU A 250
GLY A 251
HIS A 254
 None
None
GOL  A 316 (-4.7A)
GOL  A 316 (-2.9A)
None
 1.41A 3n58C-3gohA:
8.3		 3n58C-3gohA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h2y GTPASE FAMILY
PROTEIN

(Bacillus
anthracis) 		PF01926
(MMR_HSR1) 		5 HIS A 354
ASP A 267
THR A 257
LEU A 320
PHE A 336
 None
 1.21A 3n58C-3h2yA:
undetectable		 3n58C-3h2yA:
21.82
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 ASP A 130
THR A 156
LYS A 185
ASP A 189
LEU A 346
 None
NAD  A 438 (-3.8A)
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
ADN  A 439 ( 4.7A)
 1.17A 3n58C-3h9uA:
58.6		 3n58C-3h9uA:
61.02
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 HIS A  52
ASP A 130
LYS A 185
ASP A 189
LEU A 343
HIS A 352
 ADN  A 439 ( 4.7A)
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 3.3A)
 1.49A 3n58C-3h9uA:
58.6		 3n58C-3h9uA:
61.02
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) 		12 HIS A  52
THR A  54
ASP A 130
THR A 156
LYS A 185
ASP A 189
LEU A 343
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
 ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
NAD  A 438 (-3.8A)
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
 0.32A 3n58C-3h9uA:
58.6		 3n58C-3h9uA:
61.02
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)
 1.40A 3n58C-3h9uA:
58.6		 3n58C-3h9uA:
61.02
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 THR A  57
ASP A 130
THR A 156
ASP A 189
LEU A 346
 ADN  A 439 (-4.7A)
None
NAD  A 438 (-3.8A)
NAD  A 438 ( 4.4A)
ADN  A 439 ( 4.7A)
 1.41A 3n58C-3h9uA:
58.6		 3n58C-3h9uA:
61.02
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.
3k20 OXIDOREDUCTASE

(Corynebacterium
diphtheriae) 		PF03358
(FMN_red) 		5 THR A  17
LEU A 130
LEU A 126
GLY A 145
PHE A 161
 SO4  A 182 (-3.7A)
None
None
None
None
 1.20A 3n58C-3k20A:
3.8		 3n58C-3k20A:
16.70
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.
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
 1.32A 3n58C-3nioA:
undetectable		 3n58C-3nioA:
19.83
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 ASP A 139
THR A 206
LYS A 235
ASP A 239
LEU A 398
 None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.13A 3n58C-3oneA:
58.0		 3n58C-3oneA:
60.12
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) 		6 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.49A 3n58C-3oneA:
58.0		 3n58C-3oneA:
60.12
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) 		12 HIS A  62
THR A  64
ASP A 139
THR A 206
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.24A 3n58C-3oneA:
58.0		 3n58C-3oneA:
60.12
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)
 1.29A 3n58C-3oneA:
58.0		 3n58C-3oneA:
60.12
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 THR A  67
ASP A 139
THR A 206
ASP A 239
LEU A 398
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.35A 3n58C-3oneA:
58.0		 3n58C-3oneA:
60.12
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.
3p54 ENVELOPE
GLYCOPROTEIN

(Japanese
encephalitis
virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		5 ASP A  42
LEU A 371
GLY A 145
HIS A 144
PHE A   1
 None
 1.39A 3n58C-3p54A:
undetectable		 3n58C-3p54A:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.35A 3n58C-3qvfA:
2.4		 3n58C-3qvfA:
21.72
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.
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 3n58C-3qvfA:
2.4		 3n58C-3qvfA:
21.72
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.
3r3e UNCHARACTERIZED
PROTEIN YQJG

(Escherichia
coli) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		5 ASP A 239
LEU A 220
LEU A 224
GLY A 225
HIS A 227
 None
 1.37A 3n58C-3r3eA:
undetectable		 3n58C-3r3eA:
20.82
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.
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
 1.40A 3n58C-3rreA:
5.9		 3n58C-3rreA:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.28A 3n58C-3sl1A:
3.1		 3n58C-3sl1A:
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.
3wqb OPEN READING FRAME 2

(Aeromonas
sobria) 		no annotation 5 THR B 102
LEU B  96
LEU B  84
GLY B  83
HIS B  82
 None
 1.34A 3n58C-3wqbB:
undetectable		 3n58C-3wqbB:
16.16
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.
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)
 1.29A 3n58C-4ixuA:
2.4		 3n58C-4ixuA:
22.10
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.
4ksi LEUCINE
AMINOPEPTIDASE 1,
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 THR A 433
ASP A 367
LYS A 354
ASP A 427
LEU A 455
 None
MG  A 602 (-2.4A)
MG  A 601 ( 3.8A)
MG  A 601 ( 3.0A)
SO4  A 603 (-3.7A)
 1.37A 3n58C-4ksiA:
undetectable		 3n58C-4ksiA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lcm TRANSESTERASE

(Aspergillus
terreus) 		PF00144
(Beta-lactamase) 		5 THR A 139
ASP A  98
LEU A 301
LEU A 341
GLY A 340
 None
 1.42A 3n58C-4lcmA:
undetectable		 3n58C-4lcmA:
22.29
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 ASP A 135
THR A 198
LYS A 227
ASP A 231
LEU A 386
 ADN  A 501 (-3.0A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
 1.14A 3n58C-4lvcA:
62.7		 3n58C-4lvcA:
69.73
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) 		12 HIS A  58
THR A  60
ASP A 135
THR A 198
LYS A 227
ASP A 231
LEU A 383
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
NAD  A 503 ( 3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.38A 3n58C-4lvcA:
62.7		 3n58C-4lvcA:
69.73
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 HIS A  58
THR A  63
ASP A 135
THR A 198
ASP A 231
MET A 397
 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)
ADN  A 501 (-3.7A)
 1.32A 3n58C-4lvcA:
62.7		 3n58C-4lvcA:
69.73
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 THR A  63
ASP A 135
THR A 198
ASP A 231
LEU A 386
 ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
 1.37A 3n58C-4lvcA:
62.7		 3n58C-4lvcA:
69.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mo9 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ASP A  77
LEU A 314
GLY A 313
MET A  78
PHE A  82
 None
 1.34A 3n58C-4mo9A:
undetectable		 3n58C-4mo9A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 THR A 495
ASP A 914
LEU A 895
LEU A 493
GLY A 899
 None
 1.33A 3n58C-4mz0A:
undetectable		 3n58C-4mz0A:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pdh TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 ASP A 115
THR A 101
LEU A 138
GLY A 135
PHE A 120
 None
 1.36A 3n58C-4pdhA:
undetectable		 3n58C-4pdhA:
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.
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)
 1.36A 3n58C-4q3rA:
2.2		 3n58C-4q3rA:
24.36
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.
5c92 KELCH
DOMAIN-CONTAINING
PROTEIN

(Colletotrichum
graminicola) 		PF01344
(Kelch_1)
PF09118
(DUF1929) 		5 ASP A 343
LEU A  28
LEU A  21
GLY A  26
PHE A 464
 ACT  A 504 (-3.2A)
None
None
None
None
 1.28A 3n58C-5c92A:
undetectable		 3n58C-5c92A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		5 HIS A 204
THR A 201
ASP A  79
LEU A 222
HIS A 119
 None
None
None
None
ZN  A 401 (-3.3A)
 1.33A 3n58C-5hifA:
undetectable		 3n58C-5hifA:
21.87
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.
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
 1.16A 3n58C-5htvA:
undetectable		 3n58C-5htvA:
22.79
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.
5jiu RAN-BINDING PROTEIN
9

(Homo sapiens) 		PF00622
(SPRY) 		5 HIS A 255
ASP A 258
LEU A 244
GLY A 317
PHE A 275
 None
 1.43A 3n58C-5jiuA:
undetectable		 3n58C-5jiuA:
20.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tov ADENOSYLHOMOCYSTEINA
SE

(Thermotoga
maritima) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A 123
THR A 124
ASP A 113
LEU A 156
LEU A 150
 None
 1.27A 3n58C-5tovA:
11.9		 3n58C-5tovA:
39.29
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) 		7 HIS A  53
ASP A 137
THR A 212
LYS A 241
ASP A 245
LEU A 401
HIS A 410
 SAH  A 502 (-4.0A)
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)
 1.49A 3n58C-5utuA:
55.0		 3n58C-5utuA:
52.30
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
ASP A 137
THR A 212
LYS A 241
ASP A 245
LEU A 401
LEU A 404
GLY A 409
HIS A 410
MET A 415
PHE A 419
 SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
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 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.48A 3n58C-5utuA:
55.0		 3n58C-5utuA:
52.30
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 ASP A 136
THR A 198
LYS A 227
ASP A 231
LEU A 389
 ADN  A 502 (-2.9A)
NAD  A 501 ( 2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.7A)
 1.15A 3n58C-5v96A:
59.4		 3n58C-5v96A:
60.04
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
ASP A 136
THR A 198
LYS A 227
ASP A 231
LEU A 386
LEU A 389
GLY A 394
HIS A 395
MET A 400
PHE A 404
 ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
NAD  A 501 ( 2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
ADN  A 502 ( 4.7A)
ADN  A 502 (-3.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.36A 3n58C-5v96A:
59.4		 3n58C-5v96A:
60.04
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 3n58C-5v96A:
59.4		 3n58C-5v96A:
60.04
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 THR A  64
ASP A 136
THR A 198
ASP A 231
LEU A 389
 ADN  A 502 (-4.4A)
ADN  A 502 (-2.9A)
NAD  A 501 ( 2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.7A)
 1.38A 3n58C-5v96A:
59.4		 3n58C-5v96A:
60.04
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 ASP A 131
LYS A 186
ASP A 190
HIS A 353
MET A 358
PHE A 362
 None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.88A 3n58C-5w4bA:
48.6		 3n58C-5w4bA:
59.01
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
ASP A 131
THR A 157
LYS A 186
ASP A 190
MET A 358
PHE A 362
 9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
 0.75A 3n58C-5w4bA:
48.6		 3n58C-5w4bA:
59.01
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)
 1.45A 3n58C-5w4bA:
48.6		 3n58C-5w4bA:
59.01
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
GLY A 352
HIS A 353
MET A 358
PHE A 362
 None
NAD  A 501 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.89A 3n58C-5w4bA:
48.6		 3n58C-5w4bA:
59.01
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 LYS A 186
ASP A 190
LEU A 344
LEU A 347
GLY A 352
HIS A 353
MET A 358
 None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
 0.98A 3n58C-5w4bA:
48.6		 3n58C-5w4bA:
59.01
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 LYS A 186
ASP A 190
LEU A 347
HIS A 353
PHE A 362
 None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
NAD  A 501 (-4.5A)
None
 1.31A 3n58C-5w4bA:
48.6		 3n58C-5w4bA:
59.01
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 THR A 157
LYS A 186
ASP A 190
LEU A 347
MET A 358
 None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
9W4  A 502 (-3.6A)
 1.13A 3n58C-5w4bA:
48.6		 3n58C-5w4bA:
59.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w75 ELONGATION FACTOR TU

(Thermotoga
neapolitana) 		no annotation 5 THR A 254
LEU A 278
GLY A 276
MET A 213
PHE A 211
 None
 1.39A 3n58C-5w75A:
2.5		 3n58C-5w75A:
9.70
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.
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
 1.21A 3n58C-5xn8A:
3.4		 3n58C-5xn8A:
21.46
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) 		6 ASP A 136
THR A 162
LYS A 191
ASP A 195
LEU A 349
HIS A 358
 ADN  A 501 (-3.0A)
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)
 1.31A 3n58C-6aphA:
59.5		 3n58C-6aphA:
59.04
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) 		12 HIS A  58
THR A  60
ASP A 136
THR A 162
LYS A 191
ASP A 195
LEU A 349
LEU A 352
GLY A 357
HIS A 358
MET A 363
PHE A 367
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
NAD  A 500 ( 2.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.19A 3n58C-6aphA:
59.5		 3n58C-6aphA:
59.04
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) 		6 HIS A  58
THR A  63
ASP A 136
THR A 162
ASP A 195
MET A 363
 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)
ADN  A 501 (-3.7A)
 1.33A 3n58C-6aphA:
59.5		 3n58C-6aphA:
59.04
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.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 5 THR A 246
ASP A 229
LEU A   4
LEU A 151
PHE A 189
 None
 1.42A 3n58C-6b5fA:
undetectable		 3n58C-6b5fA:
22.20
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 5 ASP B 580
THR B 583
LEU B 288
GLY B 765
PHE B 578
 None
 1.34A 3n58C-6btmB:
2.2		 3n58C-6btmB:
11.03
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 5 ASP B 152
THR B 668
ASP B 450
LEU B 158
GLY B 446
 None
 1.24A 3n58C-6f0kB:
2.8		 3n58C-6f0kB:
10.26
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.
6f3m -

(-) 		no annotation 5 ASP B 139
THR B 165
LYS B 194
ASP B 198
LEU B 376
 ZN  B 505 ( 2.5A)
NAD  B 501 ( 2.8A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
ADN  B 502 ( 4.8A)
 1.26A 3n58C-6f3mB:
54.2		 3n58C-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 12 HIS B  61
THR B  63
ASP B 139
THR B 165
LYS B 194
ASP B 198
LEU B 373
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
ZN  B 505 ( 2.5A)
NAD  B 501 ( 2.8A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
NAD  B 501 ( 3.9A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.37A 3n58C-6f3mB:
54.2		 3n58C-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 6 HIS B  61
THR B  66
ASP B 139
THR B 165
ASP B 198
MET B 387
 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)
ADN  B 502 (-3.7A)
 1.37A 3n58C-6f3mB:
54.2		 3n58C-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 THR B  66
ASP B 139
THR B 165
ASP B 198
LEU B 376
 ADN  B 502 (-4.6A)
ZN  B 505 ( 2.5A)
NAD  B 501 ( 2.8A)
ADN  B 502 (-2.7A)
ADN  B 502 ( 4.8A)
 1.44A 3n58C-6f3mB:
54.2		 3n58C-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 5 ASP A 134
THR A 160
LYS A 189
ASP A 193
LEU A 350
 ADN  A 501 (-2.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.7A)
 1.17A 3n58C-6gbnA:
25.0		 3n58C-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 12 HIS A  56
THR A  58
ASP A 134
THR A 160
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.38A 3n58C-6gbnA:
25.0		 3n58C-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
THR A 160
ASP A 193
MET A 361
 ADN  A 501 (-3.9A)
ADN  A 501 (-4.6A)
ADN  A 501 (-2.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.6A)
 1.31A 3n58C-6gbnA:
25.0		 3n58C-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 5 THR A  61
ASP A 134
THR A 160
ASP A 193
LEU A 350
 ADN  A 501 (-4.6A)
ADN  A 501 (-2.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.7A)
 1.37A 3n58C-6gbnA:
25.0		 3n58C-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.
1b3j MHC CLASS I HOMOLOG
MIC-A

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 LEU A 214
GLN A 242
THR A 243
HIS A 270
 None
 1.47A 3n58C-1b3jA:
undetectable		 3n58C-1b3jA:
17.30
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.
1ezv UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
14 KD PROTEIN

(Saccharomyces
cerevisiae) 		PF02271
(UCR_14kD) 		4 LEU F  88
GLN F  80
THR F  81
GLU F  92
 None
 1.29A 3n58C-1ezvF:
undetectable		 3n58C-1ezvF:
13.70
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.
1ff3 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE

(Escherichia
coli) 		PF01625
(PMSR) 		4 LEU A 207
GLN A 109
GLU A 116
HIS A 118
 None
 1.43A 3n58C-1ff3A:
undetectable		 3n58C-1ff3A:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fkm PROTEIN (GYP1P)

(Saccharomyces
cerevisiae) 		PF00566
(RabGAP-TBC) 		4 GLN A 493
THR A 607
GLU A 491
HIS A 575
 None
 1.45A 3n58C-1fkmA:
undetectable		 3n58C-1fkmA:
17.83
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.
1hkw DIAMINOPIMELATE
DECARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 LEU A 396
GLN A  36
THR A  32
GLU A 315
 None
 1.31A 3n58C-1hkwA:
2.0		 3n58C-1hkwA:
23.35
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.
1ldi GLYCEROL UPTAKE
FACILITATOR PROTEIN

(Escherichia
coli) 		PF00230
(MIP) 		4 LEU A 131
THR A 134
GLU A 116
HIS A 119
 None
 1.50A 3n58C-1ldiA:
undetectable		 3n58C-1ldiA:
20.04
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.
1lkf LEUKOCIDIN F SUBUNIT

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		4 LEU A 290
GLN A  89
THR A 277
GLU A 279
 None
 1.37A 3n58C-1lkfA:
undetectable		 3n58C-1lkfA:
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.
1o5z FOLYLPOLYGLUTAMATE
SYNTHASE/DIHYDROFOLA
TE SYNTHASE

(Thermotoga
maritima) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 LEU A 299
THR A 420
GLU A 297
HIS A 236
 None
 1.15A 3n58C-1o5zA:
2.2		 3n58C-1o5zA:
21.40
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.
1pbw PHOSPHATIDYLINOSITOL
3-KINASE

(Homo sapiens) 		PF00620
(RhoGAP) 		4 LEU A 144
GLN A 252
THR A 253
GLU A 140
 None
 1.44A 3n58C-1pbwA:
undetectable		 3n58C-1pbwA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q2l PROTEASE III

(Escherichia
coli) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF16187
(Peptidase_M16_M) 		4 LEU A 206
GLN A  84
THR A 205
HIS A  92
 None
None
None
ZN  A 963 (-3.2A)
 1.36A 3n58C-1q2lA:
undetectable		 3n58C-1q2lA:
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.
1rzr GLUCOSE-RESISTANCE
AMYLASE REGULATOR

(Bacillus
megaterium) 		no annotation 4 LEU G 279
THR G 277
GLU G 249
HIS G 256
 None
 1.31A 3n58C-1rzrG:
undetectable		 3n58C-1rzrG:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ttw SECRETION CHAPERONE

(Yersinia pestis) 		PF05932
(CesT) 		4 LEU A   7
GLN A 104
THR A 100
GLU A  10
 None
 1.30A 3n58C-1ttwA:
undetectable		 3n58C-1ttwA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tuh HYPOTHETICAL PROTEIN
EGC068

(uncultured
bacterium) 		PF12680
(SnoaL_2) 		4 LEU A  46
GLN A  23
THR A  27
GLU A  45
 None
 1.49A 3n58C-1tuhA:
undetectable		 3n58C-1tuhA:
15.25
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.
1w5f CELL DIVISION
PROTEIN FTSZ

(Thermotoga
maritima) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 LEU A 179
GLN A 202
THR A 199
GLU A 182
 None
 1.39A 3n58C-1w5fA:
2.2		 3n58C-1w5fA:
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.
1y7q ZINC FINGER PROTEIN
174

(Homo sapiens) 		PF02023
(SCAN) 		4 LEU A 120
GLN A 103
GLU A 101
HIS A 125
 None
 1.41A 3n58C-1y7qA:
undetectable		 3n58C-1y7qA:
12.38
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.
2c6r DNA-BINDING STRESS
RESPONSE PROTEIN,
DPS FAMILY

(Deinococcus
radiodurans) 		PF00210
(Ferritin) 		4 LEU A 123
GLN A 149
THR A 146
GLU A  58
 None
 1.28A 3n58C-2c6rA:
undetectable		 3n58C-2c6rA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dvu THERMOPHILIC
REVERSIBLE
GAMMA-RESORCYLATE
DECARBOXYLASE

(Rhizobium sp.
MTP-10005) 		PF04909
(Amidohydro_2) 		4 LEU A 140
GLN A 137
THR A 138
GLU A 133
 None
 1.20A 3n58C-2dvuA:
undetectable		 3n58C-2dvuA:
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.
2f2l PEPTIDOGLYCAN
RECOGNITION
PROTEIN-LC ISOFORM
LCX
PEPTIDOGLYCAN-RECOGN
ITION PROTEIN-LC
ISOFORM LCA

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		4 GLN A 404
THR A 405
GLU X 480
HIS X 473
 None
MLD  X 201 (-4.1A)
None
MLD  X 201 (-3.9A)
 1.42A 3n58C-2f2lA:
undetectable		 3n58C-2f2lA:
16.99
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.
2fep CATABOLITE CONTROL
PROTEIN A

(Bacillus
subtilis) 		PF13377
(Peripla_BP_3) 		4 LEU A 280
THR A 278
GLU A 250
HIS A 257
 SO4  A4396 ( 4.7A)
SO4  A4396 (-2.9A)
None
None
 1.25A 3n58C-2fepA:
undetectable		 3n58C-2fepA:
19.83
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.
2hms YUAA PROTEIN

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		4 LEU A 113
GLN A  83
THR A  86
HIS A 123
 None
 1.46A 3n58C-2hmsA:
6.8		 3n58C-2hmsA:
16.56
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.
2j5g ALR4455 PROTEIN

(Nostoc sp. PCC
7120) 		PF00378
(ECH_1) 		4 LEU D 100
THR D 127
GLU D 123
HIS D  43
 None
 1.49A 3n58C-2j5gD:
undetectable		 3n58C-2j5gD:
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.
2kd1 DNA
INTEGRATION/RECOMBIN
ATION/INVERTION
PROTEIN

(Bacillus cereus) 		PF14659
(Phage_int_SAM_3) 		4 GLN A  26
THR A  27
GLU A 112
HIS A 115
 None
 1.41A 3n58C-2kd1A:
undetectable		 3n58C-2kd1A:
12.47
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.
2m5w LUPUS LA PROTEIN

(Dictyostelium
discoideum) 		PF05383
(La) 		4 LEU A  60
GLN A   8
THR A   5
GLU A  63
 None
 1.48A 3n58C-2m5wA:
undetectable		 3n58C-2m5wA:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzu CATABOLITE CONTROL
PROTEIN

(Bacillus
megaterium) 		PF13377
(Peripla_BP_3) 		4 LEU G 279
THR G 277
GLU G 249
HIS G 256
 None
BG6  G1092 (-3.6A)
BG6  G1092 (-4.7A)
None
 1.19A 3n58C-2nzuG:
4.9		 3n58C-2nzuG:
20.86
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.
2p26 INTEGRIN BETA-2

(Homo sapiens) 		PF17205
(PSI_integrin) 		4 LEU A 471
GLN A 464
THR A 463
GLU A 470
 None
 1.35A 3n58C-2p26A:
undetectable		 3n58C-2p26A:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q50 GLYOXYLATE
REDUCTASE/HYDROXYPYR
UVATE REDUCTASE

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 LEU A 181
GLN A 178
THR A 155
GLU A 198
 None
 1.46A 3n58C-2q50A:
10.0		 3n58C-2q50A:
22.80
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.
2qwv UPF0217 PROTEIN
VC_A1059

(Vibrio cholerae) 		PF04013
(Methyltrn_RNA_2) 		4 LEU A 123
THR A  68
GLU A 126
HIS A 131
 None
 1.36A 3n58C-2qwvA:
undetectable		 3n58C-2qwvA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		4 LEU A 362
GLN A 285
THR A 281
GLU A 359
 None
 1.37A 3n58C-2xdqA:
undetectable		 3n58C-2xdqA:
24.07
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.
2ypf AVRBS3

(Xanthomonas
campestris) 		PF03377
(TAL_effector) 		4 LEU A 647
GLN A 617
THR A 615
HIS A 627
 None
 1.29A 3n58C-2ypfA:
undetectable		 3n58C-2ypfA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zc7 BETA-LACTAMASE ACT-1

(Klebsiella
pneumoniae) 		PF00144
(Beta-lactamase) 		4 LEU A 107
GLN A 267
THR A 111
GLU A 300
 None
 1.34A 3n58C-2zc7A:
undetectable		 3n58C-2zc7A:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 LEU A 212
GLN A 422
THR A 425
GLU A 209
 None
 1.49A 3n58C-3a24A:
2.8		 3n58C-3a24A:
20.70
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.
3a5r BENZALACETONE
SYNTHASE

(Rheum palmatum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 LEU A 208
GLN A  91
THR A 187
HIS A 296
 HC4  A 400 ( 4.7A)
None
None
None
 1.18A 3n58C-3a5rA:
undetectable		 3n58C-3a5rA:
23.19
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 LEU A  68
GLN A  73
THR A  74
GLU A 218
HIS A 363
 None
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
ADN  A 500 ( 3.7A)
 0.77A 3n58C-3ce6A:
59.0		 3n58C-3ce6A:
60.56
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		4 LEU A 604
GLN A 572
THR A 573
GLU A 602
 None
 1.47A 3n58C-3d3aA:
3.8		 3n58C-3d3aA:
20.00
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.
3dip ENOLASE

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A  69
GLN A  49
THR A  50
GLU A  68
 None
 1.13A 3n58C-3dipA:
2.4		 3n58C-3dipA:
24.55
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) 		5 LEU A  51
GLN A  56
THR A  57
GLU A 155
HIS A 300
 None
ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
ADN  A 438 (-3.8A)
ADN  A 438 ( 4.0A)
 0.20A 3n58C-3g1uA:
55.9		 3n58C-3g1uA:
58.65
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.
3gem SHORT CHAIN
DEHYDROGENASE

(Pseudomonas
savastanoi) 		PF13561
(adh_short_C2) 		4 LEU A  78
GLN A  74
THR A  75
HIS A  83
 None
 1.30A 3n58C-3gemA:
7.9		 3n58C-3gemA:
21.55
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 LEU A  61
GLN A  66
THR A  67
GLU A 199
HIS A 344
 None
RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
RAB  A 602 (-4.6A)
RAB  A 602 ( 3.5A)
 0.49A 3n58C-3glqA:
62.5		 3n58C-3glqA:
67.51
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 LEU A  51
GLN A  56
THR A  57
GLU A 155
HIS A 300
 None
ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
None
None
 0.16A 3n58C-3h9uA:
58.6		 3n58C-3h9uA:
61.02
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.
3k0s DNA MISMATCH REPAIR
PROTEIN MUTS

(Escherichia
coli) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 LEU A 555
GLN A 326
THR A 327
GLU A 551
 None
 1.48A 3n58C-3k0sA:
undetectable		 3n58C-3k0sA:
20.99
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.
3lfu DNA HELICASE II

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 LEU A 512
GLN A 480
THR A 481
HIS A 537
 None
 1.39A 3n58C-3lfuA:
undetectable		 3n58C-3lfuA:
22.46
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.
3n2o BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Vibrio
vulnificus) 		PF02784
(Orn_Arg_deC_N) 		4 LEU A  67
GLN A 476
THR A 565
HIS A 352
 None
 1.46A 3n58C-3n2oA:
undetectable		 3n58C-3n2oA:
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 4 LEU A 248
THR A 231
GLU A 252
HIS A 237
 None
 1.35A 3n58C-3nlcA:
undetectable		 3n58C-3nlcA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		4 LEU A  89
GLN A 493
THR A 582
HIS A 369
 None
 1.31A 3n58C-3nzqA:
2.7		 3n58C-3nzqA:
22.32
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 LEU A  61
GLN A  66
THR A  67
GLU A 205
HIS A 350
 None
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
None
 0.71A 3n58C-3oneA:
58.0		 3n58C-3oneA:
60.12
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.
3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Lactobacillus
brevis) 		PF00348
(polyprenyl_synt) 		4 LEU A 321
GLN A 291
THR A 294
HIS A  -2
 None
 1.44A 3n58C-3pkoA:
undetectable		 3n58C-3pkoA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qa8 MGC80376 PROTEIN

(Xenopus laevis) 		PF00069
(Pkinase) 		4 LEU A 178
GLN A  63
GLU A  61
HIS A 143
 None
 1.47A 3n58C-3qa8A:
undetectable		 3n58C-3qa8A:
20.34
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.
3rab PROTEIN (RAB3A)

(Rattus
norvegicus) 		PF00071
(Ras) 		4 LEU A 131
GLN A 174
THR A 175
GLU A 160
 LEU  A 131 ( 0.6A)
GLN  A 174 ( 0.6A)
THR  A 175 ( 0.8A)
GLU  A 160 ( 0.5A)
 1.12A 3n58C-3rabA:
2.9		 3n58C-3rabA:
14.85
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.
3tkl LIDA PROTEIN,
SUBSTRATE OF THE
DOT/ICM SYSTEM

(Legionella
pneumophila) 		no annotation 4 LEU B 412
GLN B 405
THR B 408
GLU B 423
 None
 1.41A 3n58C-3tklB:
undetectable		 3n58C-3tklB:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ugm TAL EFFECTOR
AVRBS3/PTHA

(Xanthomonas
oryzae) 		PF03377
(TAL_effector) 		4 LEU A 612
GLN A 583
THR A 580
HIS A 592
 None
 1.20A 3n58C-3ugmA:
undetectable		 3n58C-3ugmA:
18.62
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.
3ugm TAL EFFECTOR
AVRBS3/PTHA

(Xanthomonas
oryzae) 		PF03377
(TAL_effector) 		4 LEU A 884
GLN A 854
THR A 852
HIS A 864
 None
 1.08A 3n58C-3ugmA:
undetectable		 3n58C-3ugmA:
18.62
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.
3usc HYDROGENASE-1 LARGE
CHAIN

(Escherichia
coli) 		PF00374
(NiFeSe_Hases) 		4 GLN L   4
THR L   3
GLU L 391
HIS L 351
 None
None
LI  L 604 ( 4.3A)
None
 1.15A 3n58C-3uscL:
undetectable		 3n58C-3uscL:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zuo COMPLEMENT INHIBITOR

(Ornithodoros
moubata) 		no annotation 4 LEU A  45
GLN A 160
GLU A 131
HIS A 119
 None
None
None
LTB  A1170 (-4.0A)
 1.36A 3n58C-3zuoA:
undetectable		 3n58C-3zuoA:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4acq ALPHA-2-MACROGLOBULI
N

(Homo sapiens) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 LEU A 931
GLN A1325
THR A1326
GLU A 929
 None
 1.44A 3n58C-4acqA:
undetectable		 3n58C-4acqA:
15.68
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 LEU B3236
THR B3212
GLU B3072
HIS B3106
 None
None
None
CUO  B9008 (-3.3A)
 1.49A 3n58C-4bedB:
undetectable		 3n58C-4bedB:
14.19
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.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC

(Escherichia
coli) 		PF01520
(Amidase_3)
PF11741
(AMIN) 		4 LEU A 295
THR A 298
GLU A 373
HIS A 350
 None
 1.16A 3n58C-4binA:
undetectable		 3n58C-4binA:
21.36
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.
4d3c SFN68 FAB

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H 111
GLN H  39
THR H  93
GLU H 151
 None
 1.48A 3n58C-4d3cH:
undetectable		 3n58C-4d3cH:
21.08
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.
4dhg MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Thermobispora
bispora) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 325
GLN A 349
THR A 346
HIS A 290
 None
 1.45A 3n58C-4dhgA:
undetectable		 3n58C-4dhgA:
24.76
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.
4h63 MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17

(Schizosaccharomyces
pombe) 		PF10156
(Med17) 		4 LEU Q 347
GLN Q 263
THR Q 349
HIS Q 394
 None
 1.19A 3n58C-4h63Q:
undetectable		 3n58C-4h63Q:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hbc ANTIGEN BINDING
FRAGMENT,
IMMUNOGLOBULIN IGG -
HEAVY CHAIN

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H 110
GLN H  38
THR H  89
GLU H 150
 None
 1.32A 3n58C-4hbcH:
undetectable		 3n58C-4hbcH:
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.
4hji CS1 FIMBRIAL SUBUNIT
A

(Escherichia
coli) 		PF04449
(Fimbrial_CS1) 		4 LEU A 117
GLN A  19
THR A  47
HIS A 120
 None
 1.39A 3n58C-4hjiA:
undetectable		 3n58C-4hjiA:
18.18
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.
4jo3 MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY R20 HEAVY
CHAIN

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H 108
GLN H  39
THR H  89
GLU H 148
 None
 1.31A 3n58C-4jo3H:
undetectable		 3n58C-4jo3H:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jxy TRANS-HEXAPRENYLTRAN
STRANSFERASE

(Pseudoalteromonas
atlantica) 		PF00348
(polyprenyl_synt) 		4 LEU A 238
GLN A 286
THR A 284
GLU A 160
 None
 1.16A 3n58C-4jxyA:
undetectable		 3n58C-4jxyA:
22.50
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.
4lct COP9 SIGNALOSOME
COMPLEX SUBUNIT 1

(Arabidopsis
thaliana) 		PF01399
(PCI)
PF10602
(RPN7) 		4 LEU A 228
GLN A 191
THR A 193
HIS A 330
 None
 1.39A 3n58C-4lctA:
undetectable		 3n58C-4lctA:
21.26
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 LEU A  57
GLN A  62
THR A  63
GLU A 197
HIS A 342
 None
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.7A)
 0.13A 3n58C-4lvcA:
62.7		 3n58C-4lvcA:
69.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nt5 VON WILLEBRAND
FACTOR

(Homo sapiens) 		PF03045
(DAN) 		4 LEU A2799
THR A2779
GLU A2797
HIS A2796
 None
 1.40A 3n58C-4nt5A:
undetectable		 3n58C-4nt5A:
12.12
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.
4o4y 2095-2 HEAVY CHAIN

(Homo sapiens;
Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H 109
GLN H  38
THR H  90
GLU H 149
 None
 1.29A 3n58C-4o4yH:
undetectable		 3n58C-4o4yH:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ptz FMN REDUCTASE SSUE

(Escherichia
coli) 		no annotation 4 LEU C 133
GLN C 169
THR C 166
GLU C 131
 None
 1.48A 3n58C-4ptzC:
5.1		 3n58C-4ptzC:
17.86
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.
4y90 TRIOSEPHOSPHATE
ISOMERASE

(Deinococcus
radiodurans) 		PF00121
(TIM) 		4 LEU A 183
GLN A 143
THR A 144
GLU A 182
 None
None
None
GOL  A 303 (-2.4A)
 1.37A 3n58C-4y90A:
undetectable		 3n58C-4y90A:
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.
4zjg ALPHA-2-MACROGLOBULI
N

(Escherichia
coli) 		PF11974
(MG1) 		4 LEU A 344
GLN A 333
THR A 332
HIS A 341
 None
None
None
PGE  A 402 (-4.2A)
 0.98A 3n58C-4zjgA:
undetectable		 3n58C-4zjgA:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zoq INTRACELLULAR SERINE
PROTEASE

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		4 LEU I 437
GLN I 137
THR I 135
GLU I 392
 None
 1.37A 3n58C-4zoqI:
2.9		 3n58C-4zoqI:
23.13
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.
4zpr HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA

(Mus musculus) 		PF00989
(PAS)
PF08447
(PAS_3) 		4 LEU B 122
THR B 174
GLU B 126
HIS B 130
 None
 1.38A 3n58C-4zprB:
undetectable		 3n58C-4zprB:
19.54
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.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		4 LEU A 369
GLN A 326
THR A 365
HIS A 162
 None
 1.35A 3n58C-5ao0A:
undetectable		 3n58C-5ao0A:
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.
5clr LEGK4

(Legionella
pneumophila) 		PF00069
(Pkinase) 		4 LEU A 123
THR A 145
GLU A 119
HIS A 193
 None
 1.30A 3n58C-5clrA:
undetectable		 3n58C-5clrA:
22.78
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.
5cuo PHOSPHATE
PROPANOYLTRANSFERASE

(Rhodopseudomonas
palustris) 		PF06130
(PTAC) 		4 LEU A 130
THR A 133
GLU A 105
HIS A  50
 None
None
None
ZN  A 503 ( 3.3A)
 1.44A 3n58C-5cuoA:
undetectable		 3n58C-5cuoA:
19.83
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.
5drn FAB HPU24 HEAVY
CHAIN

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU A 108
GLN A  39
THR A  89
GLU A 148
 None
 1.16A 3n58C-5drnA:
undetectable		 3n58C-5drnA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ds8 FAB HPU98 HEAVY
CHAIN

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU A 108
GLN A  39
THR A  89
GLU A 148
 EDO  A 303 ( 4.7A)
None
None
EDO  A 303 (-3.6A)
 1.26A 3n58C-5ds8A:
undetectable		 3n58C-5ds8A:
19.87
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.
5epa SNOK

(Streptomyces
nogalater) 		PF05721
(PhyH) 		4 LEU A 132
THR A 135
GLU A 124
HIS A 169
 None
 1.36A 3n58C-5epaA:
undetectable		 3n58C-5epaA:
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.
5f9p ANTHRONE
OXIDASE-LIKE PROTEIN

(Streptomyces
ambofaciens) 		PF03992
(ABM) 		4 LEU A 162
GLN A  63
THR A  12
HIS A 159
 None
None
None
GOL  A 301 (-3.5A)
 1.00A 3n58C-5f9pA:
undetectable		 3n58C-5f9pA:
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.
5hxy TYROSINE RECOMBINASE
XERA

(Thermoplasma
acidophilum) 		PF00589
(Phage_integrase)
PF13495
(Phage_int_SAM_4) 		4 LEU A 240
GLN A 262
THR A 265
HIS A 279
 None
 1.22A 3n58C-5hxyA:
undetectable		 3n58C-5hxyA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i08 SPIKE GLYCOPROTEIN,
ENVELOPE
GLYCOPROTEIN CHIMERA

(Human
coronavirus
HKU1;
Human
immunodeficiency
virus 1) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD) 		4 LEU A1142
GLN A1016
GLU A 800
HIS A1145
 None
 0.98A 3n58C-5i08A:
undetectable		 3n58C-5i08A:
15.16
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.
5i8o HMM5 ANTIBODY HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H 111
GLN H  38
THR H  90
GLU H 151
 None
 1.14A 3n58C-5i8oH:
undetectable		 3n58C-5i8oH:
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.
5j68 ASTROTACTIN-2

(Homo sapiens) 		PF01823
(MACPF) 		4 LEU A1014
GLN A1040
THR A1045
HIS A1127
 None
 1.49A 3n58C-5j68A:
undetectable		 3n58C-5j68A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m63 H CHAIN OF FAB
NVS-1-19-5

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H 139
GLN H  57
THR H 111
GLU H 179
 None
EDO  L 309 ( 4.1A)
None
None
 1.22A 3n58C-5m63H:
undetectable		 3n58C-5m63H:
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.
5mto INHIBITOR OF GROWTH
PROTEIN 5

(Homo sapiens) 		no annotation 4 LEU A  21
GLN A  88
THR A  89
GLU A  20
 None
 1.28A 3n58C-5mtoA:
undetectable		 3n58C-5mtoA:
10.78
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.
5n9j MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 14

(Schizosaccharomyces
pombe) 		PF08638
(Med14) 		4 LEU A 307
GLN A 281
THR A 282
HIS A 329
 None
 1.45A 3n58C-5n9jA:
undetectable		 3n58C-5n9jA:
21.28
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.
5omd DNA DAMAGE
CHECKPOINT PROTEIN
LCD1

(Saccharomyces
cerevisiae) 		no annotation 4 LEU A 114
GLN A 116
GLU A 110
HIS A 107
 None
 1.38A 3n58C-5omdA:
undetectable		 3n58C-5omdA:
9.98
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.
5tf3 PUTATIVE MEMBRANE
PROTEIN

(Yersinia pestis) 		PF06711
(DUF1198) 		4 LEU A  46
GLN A  53
THR A  54
HIS A  80
 None
 1.13A 3n58C-5tf3A:
undetectable		 3n58C-5tf3A:
16.15
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.
5tpm PYRUVATE
DEHYDROGENASE
COMPLEX REPRESSOR

(Escherichia
coli) 		PF07729
(FCD) 		4 LEU A 167
GLN A 154
GLU A 159
HIS A 162
 None
 1.49A 3n58C-5tpmA:
undetectable		 3n58C-5tpmA:
16.15
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.
5tr9 FERREDOXIN-NADP
REDUCTASE

(Neisseria
gonorrhoeae) 		PF00175
(NAD_binding_1) 		4 LEU A  32
THR A  29
GLU A 162
HIS A 155
 EDO  A 304 ( 4.8A)
None
EDO  A 304 ( 3.8A)
CL  A 307 (-4.1A)
 1.29A 3n58C-5tr9A:
undetectable		 3n58C-5tr9A:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5usc PREPHENATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF02153
(PDH) 		4 LEU A 367
GLN A 373
THR A 374
HIS A 322
 None
 1.45A 3n58C-5uscA:
4.5		 3n58C-5uscA:
23.97
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.
5xjg VACUOLAR PROTEIN 8

(Saccharomyces
cerevisiae) 		PF00514
(Arm) 		4 LEU A 259
GLN A 270
THR A 229
HIS A 296
 None
None
None
PE5  A 601 (-4.1A)
 1.20A 3n58C-5xjgA:
undetectable		 3n58C-5xjgA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y2v RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp. PCC 6803) 		no annotation 4 LEU A  41
GLN A   2
THR A  44
HIS A   6
 None
 1.49A 3n58C-5y2vA:
undetectable		 3n58C-5y2vA:
11.53
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 LEU A  57
GLN A  62
THR A  63
GLU A 161
HIS A 306
 None
ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
ADN  A 501 (-2.5A)
ADN  A 501 ( 3.7A)
 0.78A 3n58C-6aphA:
59.5		 3n58C-6aphA:
59.04
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.
6cjk -

(-) 		no annotation 4 LEU B 108
GLN B  39
THR B  89
GLU B 148
 None
 1.31A 3n58C-6cjkB:
undetectable		 3n58C-6cjkB:
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.
6emz INT PROTEIN

(Enterococcus
faecalis) 		no annotation 4 LEU A 224
THR A 222
GLU A 228
HIS A 248
 None
 1.27A 3n58C-6emzA:
undetectable		 3n58C-6emzA:
9.54
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 LEU A 604
GLN A 572
THR A 573
GLU A 602
 None
 1.49A 3n58C-6eonA:
undetectable		 3n58C-6eonA:
20.40
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.
6f3m -

(-) 		no annotation 4 GLN B  65
THR B  66
GLU B 164
HIS B 323
 K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
ADN  B 502 (-3.6A)
ZN  B 505 (-3.2A)
 0.16A 3n58C-6f3mB:
54.2		 3n58C-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 5 LEU A  55
GLN A  60
THR A  61
GLU A 159
HIS A 304
 None
NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
ADN  A 501 (-3.9A)
ADN  A 501 ( 3.6A)
 0.21A 3n58C-6gbnA:
25.0		 3n58C-6gbnA:
undetectable