SIMILAR PATTERNS OF AMINO ACIDS FOR 5M5K_C_ADNC502

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.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B


(Methanothermobacter
thermautotrophicus)
PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4)
5 LEU A 161
ASP A 162
ASP A 183
MET A 147
PHE A 146
None
1.15A 5m5kC-1g7rA:
undetectable
5m5kC-1g7rA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h3e TYROSYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00579
(tRNA-synt_1b)
5 LEU A 269
LEU A 243
GLY A 242
HIS A  52
MET A 233
None
None
None
ATP  A1433 (-4.3A)
None
1.41A 5m5kC-1h3eA:
undetectable
5m5kC-1h3eA:
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.
1tj7 ARGININOSUCCINATE
LYASE


(Escherichia
coli)
PF00206
(Lyase_1)
PF14698
(ASL_C2)
5 LEU A 103
HIS A 104
ASP A  33
LEU A   3
HIS A  85
None
1.42A 5m5kC-1tj7A:
undetectable
5m5kC-1tj7A:
24.48
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)
7 HIS A  54
ASP A 134
GLU A 200
LYS A 230
ASP A 234
LEU A 389
HIS A 398
ADN  A 502 (-4.1A)
ADN  A 502 (-3.1A)
ADN  A 502 (-4.0A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 3.5A)
1.47A 5m5kC-1v8bA:
57.0
5m5kC-1v8bA:
53.25
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 LEU A  53
HIS A  54
THR A  56
ASP A 134
GLU A 200
LYS A 230
ASP A 234
LEU A 392
GLY A 397
HIS A 398
MET A 403
PHE A 407
None
ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-3.1A)
ADN  A 502 (-4.0A)
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)
None
0.25A 5m5kC-1v8bA:
57.0
5m5kC-1v8bA:
53.25
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.
1x55 ASPARAGINYL-TRNA
SYNTHETASE


(Pyrococcus
horikoshii)
PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
5 LEU A 291
THR A 313
GLU A 308
LEU A 350
GLY A 356
None
1.25A 5m5kC-1x55A:
undetectable
5m5kC-1x55A:
21.61
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.
2b4w HYPOTHETICAL
PROTEIN, CONSERVED


(Leishmania
major)
PF08950
(DUF1861)
5 LEU A  62
LYS A  40
LEU A 122
GLY A 117
PHE A  37
None
1.46A 5m5kC-2b4wA:
undetectable
5m5kC-2b4wA:
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.
2bmo OXYGENASE-ALPHA NBDO

(Comamonas sp.
JS765)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
5 LEU A 305
THR A 326
ASP A 360
GLY A 351
PHE A 200
None
None
FE  A1441 ( 2.0A)
None
EDO  A1442 (-3.7A)
1.32A 5m5kC-2bmoA:
undetectable
5m5kC-2bmoA:
22.39
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.
2eh0 KINESIN-LIKE PROTEIN
KIF1B


(Homo sapiens)
PF00498
(FHA)
PF16183
(Kinesin_assoc)
5 LEU A  11
LEU A  48
GLY A  36
HIS A  57
PHE A  60
None
1.24A 5m5kC-2eh0A:
undetectable
5m5kC-2eh0A:
13.57
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.
2g1l KINESIN-LIKE PROTEIN
KIF1C


(Homo sapiens)
PF00498
(FHA)
PF16183
(Kinesin_assoc)
5 LEU A 501
LEU A 534
GLY A 526
HIS A 543
PHE A 546
None
1.07A 5m5kC-2g1lA:
undetectable
5m5kC-2g1lA:
12.81
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.
2hfq HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea)
PF09630
(DUF2024)
5 LEU A  40
LYS A  80
GLY A  15
HIS A  16
MET A  18
None
1.22A 5m5kC-2hfqA:
undetectable
5m5kC-2hfqA:
10.90
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.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens)
PF03972
(MmgE_PrpD)
5 LEU A 263
ASP A  91
LEU A 104
GLY A 159
MET A  96
None
1.31A 5m5kC-2hp3A:
undetectable
5m5kC-2hp3A:
23.08
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.
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
1.39A 5m5kC-2pqdA:
undetectable
5m5kC-2pqdA:
22.56
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.
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)
1.30A 5m5kC-2wabA:
2.3
5m5kC-2wabA:
23.42
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.
2xsr CATECHOL 1,2
DIOXYGENASE


(Acinetobacter
radioresistens)
PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N)
5 ASP A 246
LEU A 207
GLY A 214
HIS A 213
PHE A 250
None
1.38A 5m5kC-2xsrA:
undetectable
5m5kC-2xsrA:
23.30
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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense)
PF00326
(Peptidase_S9)
5 THR A 531
ASP A 445
LEU A 533
GLY A 509
PHE A 449
None
1.30A 5m5kC-3azqA:
2.7
5m5kC-3azqA:
21.99
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
GLU A 218
LYS A 248
ASP A 252
LEU A 407
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
1.14A 5m5kC-3ce6A:
57.5
5m5kC-3ce6A:
58.92
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 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
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)
ADN  A 500 (-4.8A)
0.50A 5m5kC-3ce6A:
57.5
5m5kC-3ce6A:
58.92
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 LEU A  51
HIS A  52
THR A  54
ASP A 130
GLU A 155
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
None
ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-4.1A)
ADN  A 438 (-3.8A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
0.50A 5m5kC-3g1uA:
54.6
5m5kC-3g1uA:
60.17
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 LEU A  61
ASP A 139
GLU A 199
LYS A 229
ASP A 233
LEU A 385
HIS A 394
None
RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
NAD  A 601 ( 3.6A)
1.24A 5m5kC-3glqA:
60.6
5m5kC-3glqA:
65.45
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 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 199
LYS A 229
ASP A 233
LEU A 388
GLY A 393
HIS A 394
MET A 399
PHE A 403
None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
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)
None
0.35A 5m5kC-3glqA:
60.6
5m5kC-3glqA:
65.45
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)
7 HIS A  52
ASP A 130
GLU A 155
LYS A 185
ASP A 189
LEU A 343
HIS A 352
ADN  A 439 ( 4.7A)
None
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 3.3A)
1.40A 5m5kC-3h9uA:
57.0
5m5kC-3h9uA:
58.85
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 LEU A  51
HIS A  52
THR A  54
ASP A 130
GLU A 155
LYS A 185
ASP A 189
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
None
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
None
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)
None
0.21A 5m5kC-3h9uA:
57.0
5m5kC-3h9uA:
58.85
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)
7 LEU A  54
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
None
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
1.21A 5m5kC-3n58A:
61.9
5m5kC-3n58A:
69.73
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)
12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
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)
None
0.22A 5m5kC-3n58A:
61.9
5m5kC-3n58A:
69.73
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
GLU A 205
LYS A 235
ASP A 239
LEU A 395
ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
1.27A 5m5kC-3oneA:
57.2
5m5kC-3oneA:
62.65
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 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
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)
ADE  A 506 (-4.9A)
0.48A 5m5kC-3oneA:
57.2
5m5kC-3oneA:
62.65
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.
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B


(Azoarcus
evansii)
no annotation 5 LEU A 427
HIS A 423
LYS A 398
HIS A 406
PHE A 395
None
0.94A 5m5kC-3pf7A:
undetectable
5m5kC-3pf7A:
20.49
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.
3q2k OXIDOREDUCTASE

(Bordetella
pertussis)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
5 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
None
NAI  A 500 (-2.7A)
None
None
None
1.39A 5m5kC-3q2kA:
5.2
5m5kC-3q2kA:
22.04
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.
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
1.44A 5m5kC-3rreA:
4.8
5m5kC-3rreA:
25.13
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae)
PF00149
(Metallophos)
PF02872
(5_nucleotid_C)
5 LEU A 139
GLU A 128
ASP A  94
GLY A  98
HIS A  46
None
None
ZN  A1595 (-2.4A)
None
ZN  A1596 (-3.3A)
1.21A 5m5kC-3zu0A:
undetectable
5m5kC-3zu0A:
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.
4egx KINESIN-LIKE PROTEIN
KIF1A


(Homo sapiens)
PF00498
(FHA)
PF16183
(Kinesin_assoc)
5 LEU A 494
LEU A 531
GLY A 519
HIS A 540
PHE A 543
None
1.10A 5m5kC-4egxA:
undetectable
5m5kC-4egxA:
18.35
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.
4ejq KINESIN-LIKE PROTEIN
KIF1A


(Homo sapiens)
PF00498
(FHA)
PF16183
(Kinesin_assoc)
5 LEU A 494
LEU A 531
GLY A 519
HIS A 540
PHE A 543
None
1.05A 5m5kC-4ejqA:
undetectable
5m5kC-4ejqA:
17.43
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)
7 HIS A  58
ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 383
HIS A 392
ADN  A 501 (-4.0A)
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)
1.42A 5m5kC-4lvcA:
65.2
5m5kC-4lvcA:
100.00
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 LEU A  57
HIS A  58
THR A  60
ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
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)
ADN  A 501 (-4.8A)
0.16A 5m5kC-4lvcA:
65.2
5m5kC-4lvcA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.37A 5m5kC-4mo9A:
2.7
5m5kC-4mo9A:
23.49
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.
4qiw DNA-DIRECTED RNA
POLYMERASE


(Thermococcus
kodakarensis)
PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
5 LEU B1073
HIS A  73
LYS B1102
ASP B1106
GLY A  75
None
ZN  A1002 (-3.1A)
None
None
None
1.31A 5m5kC-4qiwB:
undetectable
5m5kC-4qiwB:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4utg SUGAR KINASE

(Burkholderia
pseudomallei)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
5 LEU A 198
LEU A  14
GLY A  15
MET A 261
PHE A 257
None
None
CL  A 402 ( 3.7A)
None
None
1.26A 5m5kC-4utgA:
undetectable
5m5kC-4utgA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5


(Sus scrofa)
PF00149
(Metallophos)
5 LEU A  95
HIS A  92
ASP A 146
GLY A  51
HIS A 186
None
PO4  A 404 (-3.7A)
PO4  A 404 ( 4.6A)
None
FE  A 403 ( 3.4A)
1.43A 5m5kC-5uq6A:
undetectable
5m5kC-5uq6A:
21.85
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
GLU A 211
LYS A 241
ASP A 245
LEU A 401
HIS A 410
SAH  A 502 (-4.0A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 3.5A)
1.45A 5m5kC-5utuA:
54.5
5m5kC-5utuA:
51.28
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 LEU A  52
HIS A  53
THR A  55
ASP A 137
GLU A 211
LYS A 241
ASP A 245
LEU A 404
GLY A 409
HIS A 410
MET A 415
PHE A 419
None
SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
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)
SAH  A 502 (-4.8A)
0.20A 5m5kC-5utuA:
54.5
5m5kC-5utuA:
51.28
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)
7 HIS A  59
ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 386
HIS A 395
ADN  A 502 ( 3.9A)
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)
1.44A 5m5kC-5v96A:
58.8
5m5kC-5v96A:
62.47
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
ASP A 231
HIS A 395
ADN  A 502 ( 3.9A)
ADN  A 502 (-4.4A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 3.4A)
1.21A 5m5kC-5v96A:
58.8
5m5kC-5v96A:
62.47
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 LEU A  58
HIS A  59
THR A  61
ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 389
GLY A 394
HIS A 395
MET A 400
PHE A 404
None
ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
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)
ADN  A 502 (-4.9A)
0.14A 5m5kC-5v96A:
58.8
5m5kC-5v96A:
62.47
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)
9 LEU A  54
HIS A  55
THR A  57
ASP A 131
GLU A 156
LYS A 186
ASP A 190
MET A 358
PHE A 362
None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
0.77A 5m5kC-5w4bA:
47.9
5m5kC-5w4bA:
57.47
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 LEU A  54
THR A  57
ASP A 131
LYS A 186
ASP A 190
HIS A 353
MET A 358
PHE A 362
None
9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
0.92A 5m5kC-5w4bA:
47.9
5m5kC-5w4bA:
57.47
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
0.92A 5m5kC-5w4bA:
47.9
5m5kC-5w4bA:
57.47
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)
0.88A 5m5kC-5w4bA:
47.9
5m5kC-5w4bA:
57.47
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.
5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN


(Homo sapiens)
PF00415
(RCC1)
PF13540
(RCC1_2)
5 LEU A 187
HIS A 185
GLY A 255
HIS A 241
PHE A 244
None
1.41A 5m5kC-5xgsA:
undetectable
5m5kC-5xgsA:
21.60
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 LEU A  57
ASP A 136
GLU A 161
LYS A 191
ASP A 195
LEU A 349
HIS A 358
None
ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 3.5A)
1.36A 5m5kC-6aphA:
57.7
5m5kC-6aphA:
60.62
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 LEU A  57
HIS A  58
THR A  60
ASP A 136
GLU A 161
LYS A 191
ASP A 195
LEU A 352
GLY A 357
HIS A 358
MET A 363
PHE A 367
None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
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)
None
0.50A 5m5kC-6aphA:
57.7
5m5kC-6aphA:
60.62
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus)
no annotation 5 LEU A 247
ASP A 405
GLY A 311
HIS A 310
PHE A 305
None
1.44A 5m5kC-6ceyA:
undetectable
5m5kC-6ceyA:
10.11
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.
6f3m -

(-)
no annotation 7 HIS B  61
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
HIS B 382
ADN  B 502 ( 4.0A)
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)
1.39A 5m5kC-6f3mB:
53.0
5m5kC-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
LYS B 194
ASP B 198
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)
ADN  B 502 (-3.6A)
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)
ADN  B 502 (-4.9A)
0.23A 5m5kC-6f3mB:
53.0
5m5kC-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 7 HIS A  56
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
HIS A 356
ADN  A 501 (-3.9A)
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)
1.41A 5m5kC-6gbnA:
57.8
5m5kC-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 LEU A  55
HIS A  56
THR A  58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365
None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
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)
None
0.16A 5m5kC-6gbnA:
57.8
5m5kC-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.
1a5l UREASE (ALPHA
SUBUNIT)


(Klebsiella
aerogenes)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1)
4 GLN C 208
THR C 171
THR C 490
LEU C 505
None
1.46A 5m5kC-1a5lC:
3.5
5m5kC-1a5lC:
21.96
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.
1amu GRAMICIDIN
SYNTHETASE 1


(Brevibacillus
brevis)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 GLN A 356
THR A  31
THR A 334
LEU A 210
None
1.44A 5m5kC-1amuA:
undetectable
5m5kC-1amuA:
22.11
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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1)
4 GLN B 210
THR B 173
THR B 492
LEU B 507
None
1.48A 5m5kC-1e9yB:
2.3
5m5kC-1e9yB:
22.47
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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1)
4 GLN B 342
THR B 343
THR B 251
LEU B 318
None
1.16A 5m5kC-1e9yB:
2.3
5m5kC-1e9yB:
22.47
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.
1l4i SFAE PROTEIN

(Escherichia
coli)
PF00345
(PapD_N)
PF02753
(PapD_C)
4 GLN A 170
THR A 146
THR A 151
LEU A 114
None
1.39A 5m5kC-1l4iA:
undetectable
5m5kC-1l4iA:
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.
1lfp HYPOTHETICAL PROTEIN
AQ_1575


(Aquifex
aeolicus)
PF01709
(Transcrip_reg)
4 GLN A  55
THR A  51
THR A 175
LEU A 187
None
1.46A 5m5kC-1lfpA:
undetectable
5m5kC-1lfpA:
21.78
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.
1ml4 ASPARTATE
TRANSCARBAMOYLASE


(Pyrococcus
abyssi)
PF00185
(OTCace)
PF02729
(OTCace_N)
4 GLN A 138
THR A 137
THR A  49
LEU A  60
PAL  A 385 (-4.7A)
None
None
None
1.40A 5m5kC-1ml4A:
4.8
5m5kC-1ml4A:
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.
1nfd N15 ALPHA-BETA
T-CELL RECEPTOR


(Mus musculus)
PF07686
(V-set)
PF09291
(DUF1968)
4 GLN A   5
THR A   4
THR A  30
LEU A  66
None
1.27A 5m5kC-1nfdA:
undetectable
5m5kC-1nfdA:
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.
1pem RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
ALPHA CHAIN


(Salmonella
enterica)
PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF08343
(RNR_N)
4 GLN A 158
THR A 161
THR A 110
LEU A 103
None
1.38A 5m5kC-1pemA:
undetectable
5m5kC-1pemA:
21.96
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.
1wd3 ALPHA-L-ARABINOFURAN
OSIDASE B


(Aspergillus
kawachii)
PF05270
(AbfB)
PF09206
(ArabFuran-catal)
4 GLN A 103
THR A 144
THR A  37
LEU A  52
None
1.15A 5m5kC-1wd3A:
undetectable
5m5kC-1wd3A:
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.
1xip NUCLEOPORIN NUP159

(Saccharomyces
cerevisiae)
PF16755
(NUP214)
4 GLN A 311
THR A  10
THR A 266
LEU A 227
None
1.49A 5m5kC-1xipA:
undetectable
5m5kC-1xipA:
23.62
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.
2a81 CARB

(Pectobacterium
carotovorum)
PF00378
(ECH_1)
4 GLN A 220
THR A 221
THR A 148
LEU A  91
None
1.14A 5m5kC-2a81A:
undetectable
5m5kC-2a81A:
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.
2b39 C3

(Bos taurus)
PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
4 GLN A1126
THR A1398
THR A1268
LEU A1483
None
1.38A 5m5kC-2b39A:
undetectable
5m5kC-2b39A:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cc0 ACETYL-XYLAN
ESTERASE


(Streptomyces
lividans)
PF01522
(Polysacc_deac_1)
4 GLN A 170
THR A 171
THR A 161
LEU A  26
None
1.48A 5m5kC-2cc0A:
2.0
5m5kC-2cc0A:
17.51
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.
2ela ADAPTER PROTEIN
CONTAINING PH
DOMAIN, PTB DOMAIN
AND LEUCINE ZIPPER
MOTIF 1


(Homo sapiens)
PF00640
(PID)
4 GLN A 560
THR A 559
THR A 541
LEU A 564
None
1.23A 5m5kC-2elaA:
undetectable
5m5kC-2elaA:
16.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hro PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE


(Staphylococcus
carnosus)
PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N)
4 GLN A 510
THR A 511
THR A 454
LEU A 521
None
1.11A 5m5kC-2hroA:
undetectable
5m5kC-2hroA:
23.90
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.
2puq TISSUE FACTOR

(Homo sapiens)
PF01108
(Tissue_fac)
PF09294
(Interfer-bind)
4 GLN T 190
THR T 203
THR T 106
LEU T 143
None
1.34A 5m5kC-2puqT:
undetectable
5m5kC-2puqT:
18.26
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.
2rk5 PUTATIVE HEMOLYSIN

(Streptococcus
mutans)
PF03471
(CorC_HlyC)
4 GLN A   3
THR A  19
THR A  29
LEU A  70
None
1.36A 5m5kC-2rk5A:
undetectable
5m5kC-2rk5A:
12.58
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.
2vsk HEMAGGLUTININ-NEURAM
INIDASE


(Hendra
henipavirus)
PF00423
(HN)
4 GLN A 559
THR A 507
THR A 563
LEU A 551
None
1.24A 5m5kC-2vskA:
undetectable
5m5kC-2vskA:
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.
2xt0 HALOALKANE
DEHALOGENASE


(Plesiocystis
pacifica)
PF00561
(Abhydrolase_1)
4 GLN A 236
THR A 235
THR A 241
LEU A 130
None
1.34A 5m5kC-2xt0A:
2.5
5m5kC-2xt0A:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN


(Escherichia
coli)
PF06751
(EutB)
4 GLN A 405
THR A 366
THR A 325
LEU A 379
None
1.16A 5m5kC-3anyA:
undetectable
5m5kC-3anyA:
23.92
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.
3bgk PUTATIVE
UNCHARACTERIZED
PROTEIN


(Streptococcus
mutans)
PF01256
(Carb_kinase)
4 GLN A 146
THR A 144
THR A 150
LEU A  96
None
1.45A 5m5kC-3bgkA:
6.3
5m5kC-3bgkA:
20.08
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)
4 GLN A  73
THR A  74
THR A 219
LEU A 407
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
0.68A 5m5kC-3ce6A:
57.5
5m5kC-3ce6A:
58.92
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.
3e0m PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA/MSRB 1


(Streptococcus
pneumoniae)
PF01625
(PMSR)
PF01641
(SelR)
4 GLN A  35
THR A  47
THR A  52
LEU A 128
None
1.28A 5m5kC-3e0mA:
undetectable
5m5kC-3e0mA:
23.49
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE


(Phanerochaete
chrysosporium)
PF12708
(Pectate_lyase_3)
4 GLN A 292
THR A 291
THR A 337
LEU A 332
None
0.84A 5m5kC-3eqnA:
undetectable
5m5kC-3eqnA:
22.27
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)
4 GLN A  56
THR A  57
THR A 156
LEU A 343
ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
NAD  A 439 ( 3.0A)
NAD  A 439 ( 4.0A)
0.64A 5m5kC-3g1uA:
54.6
5m5kC-3g1uA:
60.17
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)
4 GLN A  66
THR A  67
THR A 200
LEU A 385
RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
NAD  A 601 ( 2.9A)
NAD  A 601 ( 4.1A)
0.57A 5m5kC-3glqA:
60.6
5m5kC-3glqA:
65.45
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)
4 GLN A  56
THR A  57
THR A 156
LEU A 343
ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
NAD  A 438 (-3.8A)
NAD  A 438 (-4.0A)
0.44A 5m5kC-3h9uA:
57.0
5m5kC-3h9uA:
58.85
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING


(Thermotoga
maritima)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 GLN A  74
THR A  75
THR A  87
LEU A  93
None
1.41A 5m5kC-3ip1A:
7.0
5m5kC-3ip1A:
24.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jts MHC CLASS I
MAMU-A*02


(Macaca mulatta)
PF00129
(MHC_I)
PF07654
(C1-set)
4 GLN A 218
THR A 216
THR A 187
LEU A 266
None
1.36A 5m5kC-3jtsA:
undetectable
5m5kC-3jtsA:
20.88
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.
3lm6 STAGE V SPORULATION
PROTEIN AD


(Bacillus
subtilis)
PF07451
(SpoVAD)
4 GLN A   7
THR A 186
THR A 232
LEU A 247
None
1.40A 5m5kC-3lm6A:
undetectable
5m5kC-3lm6A:
21.26
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.
3lma STAGE V SPORULATION
PROTEIN AD (SPOVAD)


(Bacillus
licheniformis)
PF07451
(SpoVAD)
4 GLN A   7
THR A 186
THR A 232
LEU A 247
None
1.35A 5m5kC-3lmaA:
undetectable
5m5kC-3lmaA:
21.15
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)
4 GLN A  59
THR A  60
THR A 193
LEU A 378
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
0.55A 5m5kC-3n58A:
61.9
5m5kC-3n58A:
69.73
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)
4 GLN A  66
THR A  67
THR A 206
LEU A 395
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
0.36A 5m5kC-3oneA:
57.2
5m5kC-3oneA:
62.65
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.
3pqy BETA CHAIN OF THE
6218-TCR


(Homo sapiens;
Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 GLN E 242
THR E 241
THR E 121
LEU E 126
None
1.38A 5m5kC-3pqyE:
undetectable
5m5kC-3pqyE:
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.
3qgk UREASE SUBUNIT BETA
2


(Helicobacter
mustelae)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1)
4 GLN C 209
THR C 172
THR C 491
LEU C 506
None
1.49A 5m5kC-3qgkC:
undetectable
5m5kC-3qgkC:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens)
PF01593
(Amino_oxidase)
4 GLN A 217
THR A  46
THR A  21
LEU A  77
None
FDA  A 483 ( 4.2A)
None
None
1.26A 5m5kC-3rhaA:
undetectable
5m5kC-3rhaA:
22.58
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens)
PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N)
4 GLN A 245
THR A 237
THR A  72
LEU A  33
None
1.41A 5m5kC-3rw9A:
5.3
5m5kC-3rw9A:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ryt PLEXIN-A1

(Mus musculus)
PF08337
(Plexin_cytopl)
4 GLN A1528
THR A1527
THR A1573
LEU A1651
None
1.48A 5m5kC-3rytA:
undetectable
5m5kC-3rytA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE


(Streptococcus
mutans)
PF00857
(Isochorismatase)
4 GLN A 150
THR A 125
THR A 140
LEU A 173
None
1.40A 5m5kC-3s2sA:
3.1
5m5kC-3s2sA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4akm LYSOSOME-ASSOCIATED
MEMBRANE
GLYCOPROTEIN 3


(Homo sapiens)
PF01299
(Lamp)
4 GLN A 330
THR A 331
THR A 355
LEU A 292
None
1.35A 5m5kC-4akmA:
undetectable
5m5kC-4akmA:
15.50
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B


(Homo sapiens)
PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW)
4 GLN A 141
THR A 143
THR A 160
LEU A 153
None
1.48A 5m5kC-4hsuA:
3.1
5m5kC-4hsuA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lcy HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-46 ALPHA
CHAIN


(Homo sapiens)
PF00129
(MHC_I)
PF07654
(C1-set)
4 GLN A 218
THR A 216
THR A 187
LEU A 266
None
None
NA  A 301 (-2.9A)
None
1.41A 5m5kC-4lcyA:
undetectable
5m5kC-4lcyA:
20.87
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)
4 GLN A  62
THR A  63
THR A 198
LEU A 383
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
NAD  A 503 ( 3.9A)
0.15A 5m5kC-4lvcA:
65.2
5m5kC-4lvcA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n6k TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT


(Desulfovibrio
salexigens)
PF03480
(DctP)
4 GLN A 159
THR A 229
THR A 235
LEU A 168
None
1.40A 5m5kC-4n6kA:
undetectable
5m5kC-4n6kA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7


(Colwellia
psychrerythraea)
PF03480
(DctP)
4 GLN A 125
THR A 114
THR A 330
LEU A 320
None
1.48A 5m5kC-4petA:
undetectable
5m5kC-4petA:
22.75
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.
4q04 URE3-BP SEQUENCE
SPECIFIC DNA BINDING
PROTEIN


(Entamoeba
histolytica)
PF13499
(EF-hand_7)
4 GLN A  87
THR A  88
THR A 184
LEU A 219
None
1.46A 5m5kC-4q04A:
undetectable
5m5kC-4q04A:
17.70
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.
4tvm CITRATE SYNTHASE

(Mycobacterium
tuberculosis)
PF00285
(Citrate_synt)
4 GLN A 111
THR A 195
THR A 204
LEU A 389
None
1.21A 5m5kC-4tvmA:
undetectable
5m5kC-4tvmA:
22.88
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.
4txd CSC2

(Thermofilum
pendens)
no annotation 4 GLN A  88
THR A  85
THR A 156
LEU A 331
None
1.43A 5m5kC-4txdA:
undetectable
5m5kC-4txdA:
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.
4u0g ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2


(Mycobacterium
tuberculosis)
PF00574
(CLP_protease)
4 GLN A 136
THR A 183
THR A 167
LEU A  86
None
None
None
ZIL  A 301 ( 4.3A)
1.49A 5m5kC-4u0gA:
undetectable
5m5kC-4u0gA:
18.96
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.
4urj PROTEIN FAM83A

(Homo sapiens)
PF07894
(DUF1669)
4 GLN A 140
THR A 141
THR A 136
LEU A 253
None
None
None
EDO  A1305 ( 4.8A)
1.45A 5m5kC-4urjA:
undetectable
5m5kC-4urjA:
17.29
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.
4xjx HSDR

(Escherichia
coli)
PF04313
(HSDR_N)
PF04851
(ResIII)
PF12008
(EcoR124_C)
4 GLN A 249
THR A 252
THR A 209
LEU A  40
None
1.48A 5m5kC-4xjxA:
3.0
5m5kC-4xjxA:
18.70
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.
4zfz MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS I


(Macaca mulatta)
PF00129
(MHC_I)
PF07654
(C1-set)
4 GLN A 218
THR A 216
THR A 187
LEU A 266
None
1.43A 5m5kC-4zfzA:
undetectable
5m5kC-4zfzA:
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.
5gza PROTEIN O-MANNOSE
KINASE


(Danio rerio)
PF07714
(Pkinase_Tyr)
4 GLN A 212
THR A 209
THR A 277
LEU A 246
MG  A 403 (-2.6A)
None
None
None
1.50A 5m5kC-5gzaA:
undetectable
5m5kC-5gzaA:
19.75
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.
5j6g H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, Q10 ALPHA
CHAIN


(Mus musculus)
PF00129
(MHC_I)
PF07654
(C1-set)
4 GLN A 218
THR A 216
THR A 187
LEU A 266
None
1.48A 5m5kC-5j6gA:
undetectable
5m5kC-5j6gA:
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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis)
no annotation 4 GLN A 635
THR A 633
THR A 300
LEU A 318
None
1.49A 5m5kC-5ta1A:
undetectable
5m5kC-5ta1A:
22.87
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.
5u47 PENICILLIN BINDING
PROTEIN 2X


(Streptococcus
thermophilus)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA)
4 GLN A 484
THR A 303
THR A 297
LEU A 270
None
1.38A 5m5kC-5u47A:
undetectable
5m5kC-5u47A:
22.98
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.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN


(Mus musculus;
Rattus
norvegicus)
PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd)
4 GLN A1189
THR A1185
THR A1093
LEU A1116
None
1.45A 5m5kC-5welA:
4.2
5m5kC-5welA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y0e -

(-)
no annotation 4 GLN A  57
THR A  53
THR A 169
LEU A 153
None
1.36A 5m5kC-5y0eA:
undetectable
5m5kC-5y0eA:
undetectable
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)
4 GLN A  62
THR A  63
THR A 162
LEU A 349
ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
NAD  A 500 ( 2.9A)
NAD  A 500 ( 4.3A)
0.66A 5m5kC-6aphA:
57.7
5m5kC-6aphA:
60.62
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.
6f3m -

(-)
no annotation 4 GLN B  65
THR B  66
THR B 165
LEU B 373
K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
NAD  B 501 ( 2.8A)
NAD  B 501 ( 3.9A)
0.22A 5m5kC-6f3mB:
53.0
5m5kC-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 4 GLN A  60
THR A  61
THR A 160
LEU A 347
NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
NAD  A 502 ( 2.8A)
NAD  A 502 (-3.9A)
0.16A 5m5kC-6gbnA:
57.8
5m5kC-6gbnA:
undetectable