SIMILAR PATTERNS OF AMINO ACIDS FOR 6F3N_B_ADNB505_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
 1.26A 6f3nB-1auaA:
undetectable		 6f3nB-1auaA:
20.08
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.
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
 1.38A 6f3nB-1gq7A:
3.1		 6f3nB-1gq7A:
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.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 HIS A  79
ASP A 168
THR A 172
LEU A 131
MET A 121
 ZN  A1362 ( 3.2A)
ZN  A1362 (-2.7A)
NAJ  A1361 (-3.4A)
OCA  A1360 (-4.8A)
None
 1.48A 6f3nB-1h2bA:
6.4		 6f3nB-1h2bA:
23.99
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.
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)
 1.45A 6f3nB-1p8rA:
2.2		 6f3nB-1p8rA:
21.68
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.
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
 1.40A 6f3nB-1rrmA:
4.3		 6f3nB-1rrmA:
23.72
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.
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 6f3nB-1uzgA:
undetectable		 6f3nB-1uzgA:
21.95
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)
 1.49A 6f3nB-1v8bA:
50.7		 6f3nB-1v8bA:
44.16
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
GLU A 200
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)
ADN  A 502 (-4.0A)
NAD  A 501 ( 2.8A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
 0.34A 6f3nB-1v8bA:
50.7		 6f3nB-1v8bA:
44.16
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.
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 6f3nB-2b24A:
undetectable		 6f3nB-2b24A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o96 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 7

(Homo sapiens) 		PF01398
(JAB) 		5 ASP A  65
ASP A 105
GLY A  98
HIS A  96
PHE A  58
 None
 1.49A 6f3nB-2o96A:
undetectable		 6f3nB-2o96A:
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 THR A 275
ASP A 300
GLU A 299
LYS A 205
ASP A 201
 None
 1.38A 6f3nB-2pqdA:
undetectable		 6f3nB-2pqdA:
22.07
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.
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
 1.44A 6f3nB-2ptsA:
undetectable		 6f3nB-2ptsA:
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.
2q09 IMIDAZOLONEPROPIONAS
E

(unidentified) 		PF01979
(Amidohydro_1) 		5 THR A 285
GLU A 139
ASP A 212
LEU A 287
HIS A 242
 None
None
None
None
FE  A 500 ( 3.5A)
 1.38A 6f3nB-2q09A:
4.0		 6f3nB-2q09A:
23.56
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)
 1.32A 6f3nB-2wabA:
6.7		 6f3nB-2wabA:
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.
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
 1.34A 6f3nB-2xsrA:
undetectable		 6f3nB-2xsrA:
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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 THR A 531
ASP A 445
LEU A 533
GLY A 509
PHE A 449
 None
 1.33A 6f3nB-3azqA:
4.5		 6f3nB-3azqA:
22.08
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) 		6 ASP A 156
GLU A 218
THR A 219
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.30A 6f3nB-3ce6A:
52.3		 6f3nB-3ce6A:
49.24
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
GLU A 218
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 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 6f3nB-3ce6A:
52.3		 6f3nB-3ce6A:
49.24
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 6f3nB-3ce6A:
52.3		 6f3nB-3ce6A:
49.24
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
GLU A 155
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 (-4.1A)
ADN  A 438 (-3.8A)
NAD  A 439 ( 3.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
 0.51A 6f3nB-3g1uA:
55.0		 6f3nB-3g1uA:
55.02
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.
3gb0 PEPTIDASE T

(Bacillus cereus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLU A 141
THR A  80
ASP A 107
LEU A 112
GLY A 111
 None
 1.39A 6f3nB-3gb0A:
undetectable		 6f3nB-3gb0A:
23.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 ASP A 139
GLU A 199
THR A 200
LYS A 229
ASP A 233
LEU A 385
HIS A 394
 RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
NAD  A 601 ( 3.6A)
 1.30A 6f3nB-3glqA:
54.1		 6f3nB-3glqA:
52.65
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) 		12 HIS A  62
THR A  64
ASP A 139
GLU A 199
THR A 200
LYS A 229
ASP A 233
LEU A 388
GLY A 393
HIS A 394
MET A 399
PHE A 403
 RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.37A 6f3nB-3glqA:
54.1		 6f3nB-3glqA:
52.65
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) 		5 HIS A  62
THR A  67
ASP A 139
THR A 200
ASP A 233
 RAB  A 602 (-3.8A)
RAB  A 602 (-4.5A)
RAB  A 602 (-3.0A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-2.5A)
 1.34A 6f3nB-3glqA:
54.1		 6f3nB-3glqA:
52.65
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)
 1.42A 6f3nB-3h9uA:
56.8		 6f3nB-3h9uA:
55.19
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
GLU A 155
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)
None
None
NAD  A 438 (-3.8A)
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
 0.28A 6f3nB-3h9uA:
56.8		 6f3nB-3h9uA:
55.19
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)
 1.39A 6f3nB-3h9uA:
56.8		 6f3nB-3h9uA:
55.19
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 HIS A 459
ASP A 458
THR A 251
LEU A 419
GLY A 420
 None
 1.47A 6f3nB-3kjrA:
undetectable		 6f3nB-3kjrA:
22.82
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 ASP A 132
GLU A 192
THR A 193
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.28A 6f3nB-3n58A:
54.5		 6f3nB-3n58A:
52.36
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
ASP A 132
GLU A 192
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.16A 6f3nB-3n58A:
54.5		 6f3nB-3n58A:
52.36
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)
 1.27A 6f3nB-3n58A:
54.5		 6f3nB-3n58A:
52.36
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.
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
 1.30A 6f3nB-3nioA:
undetectable		 6f3nB-3nioA:
20.66
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)
 1.28A 6f3nB-3oneA:
51.7		 6f3nB-3oneA:
47.99
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
GLU A 205
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)
None
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.15A 6f3nB-3oneA:
51.7		 6f3nB-3oneA:
47.99
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)
 1.28A 6f3nB-3oneA:
51.7		 6f3nB-3oneA:
47.99
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.
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)
 1.28A 6f3nB-3qvfA:
2.4		 6f3nB-3qvfA:
19.38
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.
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)
 1.27A 6f3nB-3qvfA:
2.4		 6f3nB-3qvfA:
19.38
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.
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
 1.42A 6f3nB-3rreA:
2.4		 6f3nB-3rreA:
22.29
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.
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)
 1.24A 6f3nB-3sl1A:
undetectable		 6f3nB-3sl1A:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dz4 AGMATINASE

(Burkholderia
thailandensis) 		PF00491
(Arginase) 		5 HIS A 161
ASP A 244
THR A 254
GLY A 176
HIS A 175
 MN  A 401 (-3.4A)
MN  A 401 (-2.0A)
None
UNK  A 409 ( 3.4A)
UNK  A 407 ( 3.8A)
 1.28A 6f3nB-4dz4A:
2.2		 6f3nB-4dz4A:
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.
4efz METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Burkholderia
pseudomallei) 		PF00753
(Lactamase_B) 		5 HIS A  73
THR A  11
ASP A  30
THR A  67
ASP A 170
 None
None
None
None
CA  A 301 (-3.3A)
 1.49A 6f3nB-4efzA:
undetectable		 6f3nB-4efzA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.32A 6f3nB-4hxqA:
2.5		 6f3nB-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)
 1.31A 6f3nB-4iu4A:
undetectable		 6f3nB-4iu4A:
22.93
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.
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)
 1.26A 6f3nB-4ixuA:
2.6		 6f3nB-4ixuA:
20.55
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 GLU A 197
THR A 198
GLY A 235
MET A 397
PHE A 401
 ADN  A 501 (-3.6A)
NAD  A 503 ( 2.9A)
None
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 1.49A 6f3nB-4lvcA:
53.6		 6f3nB-4lvcA:
52.05
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)
 1.45A 6f3nB-4lvcA:
53.6		 6f3nB-4lvcA:
52.05
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
GLU A 197
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)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.22A 6f3nB-4lvcA:
53.6		 6f3nB-4lvcA:
52.05
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)
 1.26A 6f3nB-4lvcA:
53.6		 6f3nB-4lvcA:
52.05
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.
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
 1.39A 6f3nB-4mo9A:
undetectable		 6f3nB-4mo9A:
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.
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)
 1.34A 6f3nB-4q3rA:
2.1		 6f3nB-4q3rA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gt2 PROBABLE
DEFERROCHELATASE/PER
OXIDASE YFEX

(Escherichia
coli) 		PF04261
(Dyp_perox) 		5 THR A 282
ASP A 276
HIS A 216
MET A 266
PHE A 268
 HEM  A 401 ( 3.6A)
None
HEM  A 401 (-3.5A)
HEM  A 401 (-3.6A)
None
 1.33A 6f3nB-5gt2A:
undetectable		 6f3nB-5gt2A:
19.70
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.
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
 1.12A 6f3nB-5htvA:
undetectable		 6f3nB-5htvA:
22.62
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) 		8 HIS A  53
ASP A 137
GLU A 211
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)
SAH  A 502 (-3.8A)
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)
 1.43A 6f3nB-5utuA:
49.5		 6f3nB-5utuA:
42.28
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 HIS A  53
THR A  55
ASP A 137
GLU A 211
THR A 212
LYS A 241
ASP A 245
LEU A 404
GLY A 409
HIS A 410
MET A 415
PHE A 419
 SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
NAD  A 501 ( 4.1A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.35A 6f3nB-5utuA:
49.5		 6f3nB-5utuA:
42.28
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)
 1.43A 6f3nB-5utuA:
49.5		 6f3nB-5utuA:
42.28
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) 		5 GLU A 197
THR A 198
GLY A 235
MET A 400
PHE A 404
 ADN  A 502 (-3.5A)
NAD  A 501 ( 2.9A)
None
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 1.46A 6f3nB-5v96A:
52.9		 6f3nB-5v96A:
46.41
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)
 1.46A 6f3nB-5v96A:
52.9		 6f3nB-5v96A:
46.41
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
GLU A 197
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)
ADN  A 502 (-3.5A)
NAD  A 501 ( 2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.7A)
ADN  A 502 (-3.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.18A 6f3nB-5v96A:
52.9		 6f3nB-5v96A:
46.41
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 6f3nB-5v96A:
52.9		 6f3nB-5v96A:
46.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ASP A 131
LYS A 186
ASP A 190
HIS A 353
PHE A 362
 None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
None
 0.98A 6f3nB-5w4bA:
47.1		 6f3nB-5w4bA:
56.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ASP A 131
LYS A 186
HIS A 353
MET A 358
PHE A 362
 None
None
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.76A 6f3nB-5w4bA:
47.1		 6f3nB-5w4bA:
56.90
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
GLU A 156
THR A 157
LYS A 186
MET A 358
PHE A 362
 9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
None
9W4  A 502 (-3.6A)
None
 0.73A 6f3nB-5w4bA:
47.1		 6f3nB-5w4bA:
56.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 HIS A  55
THR A  57
ASP A 131
THR A 157
LYS A 186
ASP A 190
PHE A 362
 9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
NAD  A 501 (-4.1A)
None
 0.80A 6f3nB-5w4bA:
47.1		 6f3nB-5w4bA:
56.90
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)
 1.44A 6f3nB-5w4bA:
47.1		 6f3nB-5w4bA:
56.90
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
GLY A 352
HIS A 353
PHE A 362
 None
NAD  A 501 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
None
 0.91A 6f3nB-5w4bA:
47.1		 6f3nB-5w4bA:
56.90
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
GLY A 352
HIS A 353
 None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
 0.91A 6f3nB-5w4bA:
47.1		 6f3nB-5w4bA:
56.90
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
GLY A 352
HIS A 353
MET A 358
PHE A 362
 None
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.71A 6f3nB-5w4bA:
47.1		 6f3nB-5w4bA:
56.90
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
LEU A 347
GLY A 352
HIS A 353
MET A 358
 None
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
 0.68A 6f3nB-5w4bA:
47.1		 6f3nB-5w4bA:
56.90
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.
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
 1.24A 6f3nB-5xn8A:
3.7		 6f3nB-5xn8A:
22.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 ASP A 136
GLU A 161
THR A 162
LYS A 191
ASP A 195
LEU A 349
HIS A 358
 ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
NAD  A 500 ( 2.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 3.5A)
 1.40A 6f3nB-6aphA:
58.4		 6f3nB-6aphA:
56.46
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) 		12 HIS A  58
THR A  60
ASP A 136
GLU A 161
THR A 162
LYS A 191
ASP A 195
LEU A 352
GLY A 357
HIS A 358
MET A 363
PHE A 367
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
NAD  A 500 ( 2.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.52A 6f3nB-6aphA:
58.4		 6f3nB-6aphA:
56.46
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) 		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)
 1.25A 6f3nB-6aphA:
58.4		 6f3nB-6aphA:
56.46
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.
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
 1.41A 6f3nB-6btmB:
undetectable		 6f3nB-6btmB:
10.37
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.
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)
 1.40A 6f3nB-6f3mB:
65.4		 6f3nB-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
GLU B 164
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)
ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
NAD  B 501 ( 2.8A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.11A 6f3nB-6f3mB:
65.4		 6f3nB-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 5 HIS B  61
THR B  66
ASP B 139
THR B 165
ASP B 198
 ADN  B 502 ( 4.0A)
ADN  B 502 (-4.6A)
ZN  B 505 ( 2.5A)
NAD  B 501 ( 2.8A)
ADN  B 502 (-2.7A)
 1.29A 6f3nB-6f3mB:
65.4		 6f3nB-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.
6fks -

(-) 		no annotation 5 THR A 280
ASP A 274
HIS A 215
MET A 265
PHE A 266
 HEM  A 301 (-3.0A)
None
HEM  A 301 (-3.3A)
HEM  A 301 (-3.1A)
None
 1.33A 6f3nB-6fksA:
undetectable		 6f3nB-6fksA:
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 GLU A 159
THR A 160
GLY A 197
MET A 361
PHE A 365
 ADN  A 501 (-3.9A)
NAD  A 502 ( 2.8A)
None
ADN  A 501 (-3.6A)
None
 1.48A 6f3nB-6gbnA:
57.7		 6f3nB-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 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)
 1.43A 6f3nB-6gbnA:
57.7		 6f3nB-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
GLU A 159
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)
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.20A 6f3nB-6gbnA:
57.7		 6f3nB-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)
 1.23A 6f3nB-6gbnA:
57.7		 6f3nB-6gbnA:
undetectable