SIMILAR PATTERNS OF AMINO ACIDS FOR 5M66_C_ADNC502_1

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.
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
1.29A 5m66C-1auaA:
undetectable
5m66C-1auaA:
21.43
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.
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 5m66C-1gq7A:
2.5
5m66C-1gq7A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kq3 GLYCEROL
DEHYDROGENASE


(Thermotoga
maritima)
PF00465
(Fe-ADH)
5 HIS A 252
ASP A 169
THR A 118
LEU A 248
GLY A 247
ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
TRS  A2922 ( 4.2A)
None
None
1.27A 5m66C-1kq3A:
2.5
5m66C-1kq3A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oal SUPEROXIDE DISMUTASE

(Photobacterium
leiognathi)
PF00080
(Sod_Cu)
5 HIS A  88
GLN A  48
ASP A  91
GLY A  69
HIS A  47
ZN  A 152 (-3.0A)
None
ZN  A 152 (-2.2A)
None
CU  A 153 (-3.1A)
1.36A 5m66C-1oalA:
undetectable
5m66C-1oalA:
15.60
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.
1p8r ARGINASE 1

(Rattus
norvegicus)
PF00491
(Arginase)
5 HIS A 126
ASP A 234
THR A 244
GLY A 142
HIS A 141
MN  A 500 ( 3.2A)
MN  A 500 ( 2.1A)
None
S2C  A 551 ( 3.9A)
S2C  A 551 (-3.7A)
1.47A 5m66C-1p8rA:
undetectable
5m66C-1p8rA:
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.
1rrm LACTALDEHYDE
REDUCTASE


(Escherichia
coli)
PF00465
(Fe-ADH)
5 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
1.35A 5m66C-1rrmA:
4.2
5m66C-1rrmA:
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.
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
1.44A 5m66C-1uzgA:
undetectable
5m66C-1uzgA:
22.53
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)
11 HIS A  54
THR A  56
ASP A 134
THR A 201
LYS A 230
ASP A 234
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)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
0.31A 5m66C-1v8bA:
59.7
5m66C-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.
1woi AGMATINASE

(Deinococcus
radiodurans)
PF00491
(Arginase)
5 THR A 178
GLN A 141
ASP A 231
LEU A 181
HIS A 145
None
None
MN  A1502 (-2.0A)
None
MN  A1502 (-3.4A)
1.35A 5m66C-1woiA:
undetectable
5m66C-1woiA:
22.02
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT


(Rhodococcus sp.
NCIMB 12038)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
5 THR A 322
THR A 217
ASP A 372
GLY A 363
PHE A 210
None
IND  A 503 ( 4.3A)
FE  A 502 (-2.1A)
None
IND  A 503 ( 4.4A)
1.29A 5m66C-2b24A:
undetectable
5m66C-2b24A:
20.38
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.
2bq8 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5


(Homo sapiens)
PF00149
(Metallophos)
5 THR X 136
ASP X  91
ASP X  12
LEU X  86
GLY X 183
None
None
FE2  X1305 (-3.1A)
None
None
1.18A 5m66C-2bq8X:
undetectable
5m66C-2bq8X:
21.99
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.
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)
1.05A 5m66C-2ftzA:
undetectable
5m66C-2ftzA:
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.
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
1.48A 5m66C-2ptsA:
undetectable
5m66C-2ptsA:
23.18
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.
2qjo BIFUNCTIONAL NMN
ADENYLYLTRANSFERASE/
NUDIX HYDROLASE


(Synechocystis
sp. PCC 6803)
PF00293
(NUDIX)
PF01467
(CTP_transf_like)
5 HIS A 328
GLN A 330
ASP A 205
THR A 203
PHE A 272
APR  A 501 (-4.0A)
None
APR  A 501 (-2.8A)
APR  A 501 (-3.6A)
None
1.35A 5m66C-2qjoA:
2.2
5m66C-2qjoA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjt NICOTINAMIDE-NUCLEOT
IDE
ADENYLYLTRANSFERASE


(Francisella
tularensis)
no annotation 5 HIS B 332
GLN B 334
ASP B 207
THR B 205
PHE B 274
None
1.49A 5m66C-2qjtB:
undetectable
5m66C-2qjtB:
20.57
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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II


(Streptococcus
pneumoniae)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 THR A 335
THR A 393
LEU A 338
GLY A 232
HIS A 337
None
1.44A 5m66C-2rjtA:
undetectable
5m66C-2rjtA:
23.53
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.
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 5m66C-2wabA:
5.3
5m66C-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.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum)
PF00657
(Lipase_GDSL)
5 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.36A 5m66C-2wabA:
5.3
5m66C-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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense)
PF00326
(Peptidase_S9)
5 THR A 531
ASP A 445
LEU A 533
GLY A 509
PHE A 449
None
1.32A 5m66C-3azqA:
undetectable
5m66C-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
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)
1.21A 5m66C-3ce6A:
61.1
5m66C-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 HIS A  69
THR A  71
GLN A  73
ASP A 156
THR A 219
LYS A 248
ASP A 252
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 (-3.6A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
0.17A 5m66C-3ce6A:
61.1
5m66C-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)
5 HIS A  69
THR A  74
ASP A 156
THR A 219
ASP A 252
ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
1.30A 5m66C-3ce6A:
61.1
5m66C-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.
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
1.25A 5m66C-3d8kA:
undetectable
5m66C-3d8kA:
21.35
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
GLN A  56
ASP A 130
THR A 156
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 (-3.8A)
ADN  A 438 (-4.1A)
NAD  A 439 ( 3.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
0.51A 5m66C-3g1uA:
56.6
5m66C-3g1uA:
60.17
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 HIS A  52
THR A  57
ASP A 130
THR A 156
MET A 357
ADN  A 438 (-4.0A)
ADN  A 438 (-4.6A)
ADN  A 438 (-4.1A)
NAD  A 439 ( 3.0A)
ADN  A 438 (-3.7A)
1.48A 5m66C-3g1uA:
56.6
5m66C-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)
6 ASP A 139
THR A 200
LYS A 229
ASP A 233
LEU A 385
HIS A 394
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)
1.37A 5m66C-3glqA:
61.3
5m66C-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 HIS A  62
THR A  64
GLN A  66
ASP A 139
THR A 200
LYS A 229
ASP A 233
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 (-3.9A)
RAB  A 602 (-3.0A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
0.23A 5m66C-3glqA:
61.3
5m66C-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)
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 5m66C-3glqA:
61.3
5m66C-3glqA:
65.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gvp ADENOSYLHOMOCYSTEINA
SE 3


(Homo sapiens)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 HIS A 234
THR A 236
GLN A 238
ASP A 310
LYS A 365
None
0.86A 5m66C-3gvpA:
42.4
5m66C-3gvpA:
46.75
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
GLN A  56
ASP A 130
THR A 156
LYS A 185
ASP A 189
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)
ADN  A 439 (-3.6A)
None
NAD  A 438 (-3.8A)
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
0.27A 5m66C-3h9uA:
57.1
5m66C-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)
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)
1.41A 5m66C-3h9uA:
57.1
5m66C-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.
3im9 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE


(Staphylococcus
aureus)
PF00698
(Acyl_transf_1)
5 THR A  59
GLN A  11
THR A 124
GLY A  57
PHE A 198
ACT  A 801 (-3.9A)
ACT  A 801 ( 3.8A)
None
None
ACT  A 801 (-4.4A)
1.32A 5m66C-3im9A:
undetectable
5m66C-3im9A:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE


(Brucella
abortus)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
6 ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 378
HIS A 387
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
1.35A 5m66C-3n58A:
62.3
5m66C-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 HIS A  55
THR A  57
GLN A  59
ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
0.15A 5m66C-3n58A:
62.3
5m66C-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)
5 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
1.28A 5m66C-3n58A:
62.3
5m66C-3n58A:
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.
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
1.31A 5m66C-3nioA:
undetectable
5m66C-3nioA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE


(Lupinus luteus)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
1.34A 5m66C-3oneA:
57.3
5m66C-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 HIS A  62
THR A  64
GLN A  66
ASP A 139
THR A 206
LYS A 235
ASP A 239
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)
ADE  A 506 (-3.8A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
0.17A 5m66C-3oneA:
57.3
5m66C-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)
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)
1.30A 5m66C-3oneA:
57.3
5m66C-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.
3qvf FOMA PROTEIN

(Streptomyces
wedmorensis)
PF00696
(AA_kinase)
5 ASP A 150
THR A 215
ASP A 208
GLY A  54
HIS A  58
MG  A5000 (-4.0A)
None
ADP  A1260 ( 3.9A)
FV1  A4001 (-3.2A)
FV1  A4001 (-4.0A)
1.30A 5m66C-3qvfA:
2.2
5m66C-3qvfA:
21.66
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.
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)
1.35A 5m66C-3qvfA:
2.2
5m66C-3qvfA:
21.66
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.
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
1.41A 5m66C-3rreA:
6.2
5m66C-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.
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 5m66C-3sl1A:
2.8
5m66C-3sl1A:
19.88
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.
4b43 TRANSLATION
INITIATION FACTOR
IF-2


(Thermus
thermophilus)
PF00009
(GTP_EFTU)
PF04760
(IF2_N)
5 HIS A 109
THR A 107
ASP A 126
THR A 127
ASP A  91
None
1.40A 5m66C-4b43A:
undetectable
5m66C-4b43A:
23.53
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.
4hxq ARGINASE-1

(Homo sapiens)
PF00491
(Arginase)
5 HIS A 126
ASP A 234
THR A 244
GLY A 142
HIS A 141
MN  A 902 ( 3.4A)
MN  A 902 ( 2.0A)
None
X8A  A 901 ( 3.7A)
X8A  A 901 (-3.4A)
1.35A 5m66C-4hxqA:
2.2
5m66C-4hxqA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iu4 ARGINASE

(Leishmania
mexicana)
PF00491
(Arginase)
5 HIS A 139
ASP A 245
THR A 255
GLY A 155
HIS A 154
MN  A 402 ( 3.4A)
MN  A 402 ( 2.0A)
None
S2C  A 405 ( 3.7A)
S2C  A 405 (-3.2A)
1.33A 5m66C-4iu4A:
2.3
5m66C-4iu4A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5m66C-4ixuA:
3.1
5m66C-4ixuA:
20.20
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH


(Vibrio
parahaemolyticus)
PF02386
(TrkH)
5 THR A 325
GLN A 313
ASP A 305
THR A 301
GLY A 327
None
1.37A 5m66C-4j9uA:
undetectable
5m66C-4j9uA:
23.53
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
GLN A  62
ASP A 135
THR A 198
LYS A 227
ASP A 231
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)
NH4  A 502 ( 3.1A)
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)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
0.18A 5m66C-4lvcA:
68.2
5m66C-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)
5 HIS A  58
THR A  63
ASP A 135
THR A 198
ASP A 231
ADN  A 501 (-4.0A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-3.1A)
1.27A 5m66C-4lvcA:
68.2
5m66C-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.
4mca GLYCEROL
DEHYDROGENASE


(Serratia
plymuthica)
PF00465
(Fe-ADH)
5 HIS A 254
ASP A 171
THR A 120
LEU A 250
GLY A 249
ZN  A1000 (-3.1A)
ZN  A1000 (-2.1A)
None
None
None
1.31A 5m66C-4mcaA:
undetectable
5m66C-4mcaA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5m66C-4q3rA:
2.7
5m66C-4q3rA:
21.15
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.
4xa7 NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT C


(Vibrio harveyi)
PF04205
(FMN_bind)
5 GLN A 192
THR A 238
LEU A 225
GLY A 224
PHE A 193
None
1.37A 5m66C-4xa7A:
undetectable
5m66C-4xa7A:
20.53
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.
5ghs SSDNA-SPECIFIC
EXONUCLEASE


(Thermococcus
kodakarensis)
PF02272
(DHHA1)
5 ASP A 279
ASP A 171
LEU A 179
GLY A 176
HIS A 175
None
1.18A 5m66C-5ghsA:
2.6
5m66C-5ghsA:
20.43
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.
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 5m66C-5htvA:
undetectable
5m66C-5htvA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ods CLATHRIN HEAVY CHAIN
1


(Mus musculus)
no annotation 5 GLN A 265
LYS A  36
ASP A  35
GLY A 314
HIS A 309
None
1.44A 5m66C-5odsA:
undetectable
5m66C-5odsA:
12.01
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)
11 HIS A  53
THR A  55
ASP A 137
THR A 212
LYS A 241
ASP A 245
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)
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)
0.34A 5m66C-5utuA:
54.7
5m66C-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)
5 HIS A  53
THR A  58
ASP A 137
THR A 212
ASP A 245
SAH  A 502 (-4.0A)
SAH  A 502 (-4.2A)
SAH  A 502 (-3.4A)
NAD  A 501 ( 4.1A)
SAH  A 502 (-2.8A)
1.45A 5m66C-5utuA:
54.7
5m66C-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)
11 HIS A  59
THR A  61
ASP A 136
THR A 198
LYS A 227
ASP A 231
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)
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)
0.12A 5m66C-5v96A:
63.0
5m66C-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
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)
1.23A 5m66C-5v96A:
63.0
5m66C-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)
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
0.96A 5m66C-5w4bA:
47.9
5m66C-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 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
0.77A 5m66C-5w4bA:
47.9
5m66C-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)
5 HIS A  55
THR A  60
ASP A 131
THR A 157
ASP A 190
9W4  A 502 (-3.7A)
None
None
None
NAD  A 501 (-4.1A)
1.46A 5m66C-5w4bA:
47.9
5m66C-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
0.95A 5m66C-5w4bA:
47.9
5m66C-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)
0.91A 5m66C-5w4bA:
47.9
5m66C-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)
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)
1.18A 5m66C-5w4bA:
47.9
5m66C-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.
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 5m66C-5xn8A:
3.2
5m66C-5xn8A:
22.60
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)
5 ASP A 136
THR A 162
LYS A 191
ASP A 195
LEU A 349
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)
1.14A 5m66C-6aphA:
58.0
5m66C-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 HIS A  58
THR A  60
GLN A  62
ASP A 136
THR A 162
LYS A 191
ASP A 195
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 (-3.8A)
ADN  A 501 (-3.0A)
NAD  A 500 ( 2.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
0.15A 5m66C-6aphA:
58.0
5m66C-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)
5 HIS A  58
THR A  63
ASP A 136
THR A 162
ASP A 195
ADN  A 501 (-3.9A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
NAD  A 500 ( 2.9A)
ADN  A 501 (-2.7A)
1.26A 5m66C-6aphA:
58.0
5m66C-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.
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
1.39A 5m66C-6btmB:
2.4
5m66C-6btmB:
11.14
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.
6f3m -

(-)
no annotation 12 HIS B  61
THR B  63
GLN B  65
ASP B 139
THR B 165
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)
K  B 504 ( 3.0A)
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)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
0.17A 5m66C-6f3mB:
53.9
5m66C-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)
1.36A 5m66C-6f3mB:
53.9
5m66C-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 12 HIS A  56
THR A  58
GLN A  60
ASP A 134
THR A 160
LYS A 189
ASP A 193
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)
NA  A 503 ( 3.2A)
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)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
0.17A 5m66C-6gbnA:
58.2
5m66C-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 HIS A  56
THR A  61
ASP A 134
THR A 160
ASP A 193
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)
1.24A 5m66C-6gbnA:
58.2
5m66C-6gbnA:
undetectable