SIMILAR PATTERNS OF AMINO ACIDS FOR 6F3M_D_ADND502

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
 1.28A 6f3mD-1auaA:
1.2		 6f3mD-1auaA:
20.39
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 GLU A 679
HIS A 682
LEU A 664
GLY A 665
HIS A 668
 None
 1.36A 6f3mD-1dgjA:
0.0		 6f3mD-1dgjA:
20.60
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.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 HIS A 270
THR A 263
ASP A 189
HIS A 193
GLY A 259
 FE  A 900 ( 3.4A)
None
FE  A 900 ( 2.5A)
FE  A 900 ( 3.4A)
None
 1.12A 6f3mD-1o2dA:
2.5		 6f3mD-1o2dA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p22 BETA-CATENIN
F-BOX/WD-REPEAT
PROTEIN 1A

(Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like)
no annotation 		5 ASP A 366
GLU A 348
HIS A 346
LEU A 351
GLY C  34
 None
None
None
SEP  C  33 ( 4.7A)
SEP  C  33 ( 2.4A)
 1.20A 6f3mD-1p22A:
0.0		 6f3mD-1p22A:
22.29
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)
 1.48A 6f3mD-1v8bA:
50.7		 6f3mD-1v8bA:
44.38
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
GLU A 200
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)
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
 0.32A 6f3mD-1v8bA:
50.7		 6f3mD-1v8bA:
44.38
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.
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
 1.47A 6f3mD-2o96A:
undetectable		 6f3mD-2o96A:
17.19
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.
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
 1.36A 6f3mD-2pqdA:
undetectable		 6f3mD-2pqdA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.36A 6f3mD-2q09A:
4.0		 6f3mD-2q09A:
23.06
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.
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 6f3mD-2xsrA:
undetectable		 6f3mD-2xsrA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 6f3mD-3azqA:
undetectable		 6f3mD-3azqA:
21.72
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)
 1.19A 6f3mD-3ce6A:
52.3		 6f3mD-3ce6A:
48.86
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
LYS A 248
ASP A 252
HIS A 363
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)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
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 6f3mD-3ce6A:
52.3		 6f3mD-3ce6A:
48.86
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
ASP A 252
HIS A 363
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
 1.25A 6f3mD-3ce6A:
52.3		 6f3mD-3ce6A:
48.86
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
HIS A 300
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)
ADN  A 438 ( 4.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
 0.52A 6f3mD-3g1uA:
54.7		 6f3mD-3g1uA:
55.65
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
HIS A 300
MET A 357
 ADN  A 438 (-4.0A)
ADN  A 438 (-4.6A)
ADN  A 438 (-4.1A)
ADN  A 438 ( 4.0A)
ADN  A 438 (-3.7A)
 1.38A 6f3mD-3g1uA:
54.7		 6f3mD-3g1uA:
55.65
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) 		6 ASP A 139
GLU A 199
LYS A 229
ASP A 233
LEU A 385
HIS A 394
 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)
 1.30A 6f3mD-3glqA:
53.9		 6f3mD-3glqA:
50.09
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
LYS A 229
ASP A 233
HIS A 344
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)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 3.5A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.39A 6f3mD-3glqA:
53.9		 6f3mD-3glqA:
50.09
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
ASP A 233
HIS A 344
MET A 399
 RAB  A 602 (-3.8A)
RAB  A 602 (-4.5A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 3.5A)
RAB  A 602 (-3.6A)
 1.31A 6f3mD-3glqA:
53.9		 6f3mD-3glqA:
50.09
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)
 1.41A 6f3mD-3h9uA:
56.9		 6f3mD-3h9uA:
56.17
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
LYS A 185
ASP A 189
HIS A 300
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 ( 3.9A)
NAD  A 438 ( 4.4A)
None
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
 0.19A 6f3mD-3h9uA:
56.9		 6f3mD-3h9uA:
56.17
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
ASP A 189
HIS A 300
 ADN  A 439 ( 4.7A)
ADN  A 439 (-4.7A)
None
NAD  A 438 ( 4.4A)
None
 1.31A 6f3mD-3h9uA:
56.9		 6f3mD-3h9uA:
56.17
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 HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-4.0A)
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)
 1.36A 6f3mD-3n58A:
54.4		 6f3mD-3n58A:
53.12
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
LYS A 222
ASP A 226
HIS A 337
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)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.18A 6f3mD-3n58A:
54.4		 6f3mD-3n58A:
53.12
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
ASP A 226
HIS A 337
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
 1.24A 6f3mD-3n58A:
54.4		 6f3mD-3n58A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  62
ASP A 139
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)
 1.26A 6f3mD-3oneA:
51.7		 6f3mD-3oneA:
47.80
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
LYS A 235
ASP A 239
HIS A 350
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 ( 4.2A)
NAD  A 501 ( 4.5A)
None
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)
 0.16A 6f3mD-3oneA:
51.7		 6f3mD-3oneA:
47.80
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
ASP A 239
HIS A 350
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
 1.26A 6f3mD-3oneA:
51.7		 6f3mD-3oneA:
47.80
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.
3qvn MANGANESE-CONTAINING
SUPEROXIDE DISMUTASE

(Candida
albicans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 HIS A  80
ASP A 170
HIS A 174
GLY A  75
PHE A 136
 MN  A 207 (-3.4A)
MN  A 207 (-2.7A)
MN  A 207 (-3.0A)
None
None
 1.11A 6f3mD-3qvnA:
undetectable		 6f3mD-3qvnA:
19.35
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.
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
 1.43A 6f3mD-3rreA:
3.9		 6f3mD-3rreA:
23.36
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.
3uet ALPHA-1,3/4-FUCOSIDA
SE

(Bifidobacterium
longum) 		PF01120
(Alpha_L_fucos) 		5 THR A  82
ASP A  87
HIS A  99
LEU A  91
PHE A 291
 None
 1.24A 6f3mD-3uetA:
undetectable		 6f3mD-3uetA:
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 HIS A  23
ASP A 581
ASP A 196
GLY A  17
PHE A  10
 None
 1.17A 6f3mD-4cw4A:
undetectable		 6f3mD-4cw4A:
23.20
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.
4cxo ENDONUCLEASE 2

(Arabidopsis
thaliana) 		PF02265
(S1-P1_nuclease) 		5 HIS A 120
ASP A 124
ASP A 158
HIS A  58
LEU A  42
 ZN  A 451 ( 3.4A)
ZN  A 453 (-2.6A)
ZN  A 452 (-2.0A)
ZN  A 451 ( 3.2A)
None
 1.36A 6f3mD-4cxoA:
undetectable		 6f3mD-4cxoA:
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.
4h2h MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Salipiger
bermudensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 HIS A  11
THR A  32
ASP A 298
LEU A  13
GLY A 296
 None
 1.39A 6f3mD-4h2hA:
undetectable		 6f3mD-4h2hA:
22.72
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)
 1.44A 6f3mD-4lvcA:
53.7		 6f3mD-4lvcA:
53.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 HIS A  58
THR A  60
ASP A 135
GLU A 197
LYS A 227
ASP A 231
HIS A 342
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)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 3.7A)
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)
 0.20A 6f3mD-4lvcA:
53.7		 6f3mD-4lvcA:
53.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  58
THR A  63
ASP A 135
ASP A 231
HIS A 342
 ADN  A 501 (-4.0A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 3.7A)
 1.23A 6f3mD-4lvcA:
53.7		 6f3mD-4lvcA:
53.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m0v EXONUCLEASE SUBUNIT
SBCD

(Escherichia
coli) 		PF00149
(Metallophos)
PF12320
(SbcD_C) 		5 HIS A  10
ASP A   8
HIS A 224
GLY A  12
HIS A  24
 MN  A 402 (-3.3A)
MN  A 402 (-3.2A)
MN  A 402 (-4.0A)
None
None
 1.50A 6f3mD-4m0vA:
2.6		 6f3mD-4m0vA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.38A 6f3mD-4mo9A:
2.8		 6f3mD-4mo9A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gr1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Cyanothece sp.
ATCC 51142) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 ASP A 113
HIS A 122
LEU A 129
GLY A 130
HIS A 132
 None
 1.40A 6f3mD-5gr1A:
undetectable		 6f3mD-5gr1A:
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.
5gt2 PROBABLE
DEFERROCHELATASE/PER
OXIDASE YFEX

(Escherichia
coli) 		PF04261
(Dyp_perox) 		5 ASP A 276
HIS A 179
HIS A 216
MET A 266
PHE A 268
 None
HEM  A 401 (-4.6A)
HEM  A 401 (-3.5A)
HEM  A 401 (-3.6A)
None
 1.47A 6f3mD-5gt2A:
undetectable		 6f3mD-5gt2A:
19.70
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)
 1.47A 6f3mD-5utuA:
49.3		 6f3mD-5utuA:
42.67
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
GLU A 211
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)
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)
 0.26A 6f3mD-5utuA:
49.3		 6f3mD-5utuA:
42.67
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)
 1.45A 6f3mD-5v96A:
52.8		 6f3mD-5v96A:
46.20
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
GLU A 197
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)
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 6f3mD-5v96A:
52.8		 6f3mD-5v96A:
46.20
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
 1.00A 6f3mD-5w4bA:
47.0		 6f3mD-5w4bA:
58.15
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
GLU A 156
LYS A 186
MET A 358
PHE A 362
 9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
9W4  A 502 (-3.6A)
None
 0.72A 6f3mD-5w4bA:
47.0		 6f3mD-5w4bA:
58.15
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
LYS A 186
ASP A 190
MET A 358
PHE A 362
 9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
 0.80A 6f3mD-5w4bA:
47.0		 6f3mD-5w4bA:
58.15
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 6f3mD-5w4bA:
47.0		 6f3mD-5w4bA:
58.15
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 6f3mD-5w4bA:
47.0		 6f3mD-5w4bA:
58.15
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.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 5 HIS A 203
ASP A 256
ASP A  69
LEU A 106
GLY A 105
 None
 1.32A 6f3mD-5xgwA:
undetectable		 6f3mD-5xgwA:
11.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 ASP A 136
GLU A 161
LYS A 191
ASP A 195
LEU A 349
HIS A 358
 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)
 1.42A 6f3mD-6aphA:
58.3		 6f3mD-6aphA:
56.25
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
LYS A 191
ASP A 195
HIS A 306
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)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 3.7A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.52A 6f3mD-6aphA:
58.3		 6f3mD-6aphA:
56.25
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
ASP A 195
HIS A 306
 ADN  A 501 (-3.9A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 3.7A)
 1.22A 6f3mD-6aphA:
58.3		 6f3mD-6aphA:
56.25
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.
6ch0 -

(-) 		no annotation 5 ASP C 220
HIS C 118
LEU C 121
MET C  22
PHE C  48
 CO  C 301 (-2.1A)
CO  C 302 (-3.3A)
None
GOL  C 306 ( 4.2A)
None
 1.47A 6f3mD-6ch0C:
undetectable		 6f3mD-6ch0C:
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 ASP A 274
HIS A 178
HIS A 215
MET A 265
PHE A 266
 None
HEM  A 301 (-4.2A)
HEM  A 301 (-3.3A)
HEM  A 301 (-3.1A)
None
 1.47A 6f3mD-6fksA:
undetectable		 6f3mD-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 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)
 1.42A 6f3mD-6gbnA:
57.5		 6f3mD-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
LYS A 189
ASP A 193
HIS A 304
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)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 3.6A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.22A 6f3mD-6gbnA:
57.5		 6f3mD-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
ASP A 193
HIS A 304
 ADN  A 501 (-3.9A)
ADN  A 501 (-4.6A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 3.6A)
 1.22A 6f3mD-6gbnA:
57.5		 6f3mD-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.
1aep APOLIPOPHORIN III

(Locusta
migratoria) 		no annotation 4 ILE A 115
GLN A 120
THR A 119
LEU A  14
 None
 1.14A 6f3mD-1aepA:
undetectable		 6f3mD-1aepA:
17.67
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.
1cpy SERINE
CARBOXYPEPTIDASE

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		4 ILE A  91
GLN A  95
THR A  18
LEU A  62
 None
 1.13A 6f3mD-1cpyA:
undetectable		 6f3mD-1cpyA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dl2 CLASS I
ALPHA-1,2-MANNOSIDAS
E

(Saccharomyces
cerevisiae) 		PF01532
(Glyco_hydro_47) 		4 ILE A 181
THR A 179
THR A 209
LEU A 244
 None
 1.01A 6f3mD-1dl2A:
undetectable		 6f3mD-1dl2A:
21.75
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.
1f0i PHOSPHOLIPASE D

(Streptomyces
sp. PMF) 		PF13091
(PLDc_2) 		4 ILE A 186
GLN A  51
THR A  52
THR A 183
 None
 0.86A 6f3mD-1f0iA:
undetectable		 6f3mD-1f0iA:
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.
1f26 NITRIC OXIDE
REDUCTASE

(Fusarium
oxysporum) 		PF00067
(p450) 		4 ILE A 353
GLN A  97
THR A 104
LEU A 157
 HEM  A 501 ( 4.5A)
None
None
None
 1.01A 6f3mD-1f26A:
undetectable		 6f3mD-1f26A:
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.
1f8w NADH PEROXIDASE

(Enterococcus
faecalis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ILE A 414
GLN A 445
THR A 383
LEU A 387
 None
 1.13A 6f3mD-1f8wA:
3.8		 6f3mD-1f8wA:
23.23
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.
1jf5 ALPHA AMYLASE II

(Thermoactinomyces
vulgaris) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		4 ILE A 580
THR A 445
THR A 558
LEU A 573
 None
 1.06A 6f3mD-1jf5A:
2.2		 6f3mD-1jf5A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p4p OUTER SURFACE
PROTEIN B

(Borreliella
burgdorferi) 		PF00820
(Lipoprotein_1) 		4 ILE A 248
GLN A 270
THR A 255
LEU A 291
 None
 1.14A 6f3mD-1p4pA:
undetectable		 6f3mD-1p4pA:
19.64
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.
1qnl ALIPHATIC AMIDASE
EXPRESSION-REGULATIN
G PROTEIN

(Pseudomonas
aeruginosa) 		PF13433
(Peripla_BP_5) 		4 ILE A  10
GLN A 292
THR A 293
LEU A  13
 None
 1.04A 6f3mD-1qnlA:
2.1		 6f3mD-1qnlA:
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.
1qvb BETA-GLYCOSIDASE

(Thermosphaera
aggregans) 		PF00232
(Glyco_hydro_1) 		4 ILE A 263
THR A 385
THR A 205
LEU A 313
 None
 1.08A 6f3mD-1qvbA:
undetectable		 6f3mD-1qvbA:
20.41
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.
1ujj ADP-RIBOSYLATION
FACTOR BINDING
PROTEIN GGA1

(Homo sapiens) 		PF00790
(VHS) 		4 GLN A  36
THR A   9
THR A  18
LEU A  51
 None
 1.00A 6f3mD-1ujjA:
undetectable		 6f3mD-1ujjA:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1un9 DIHYDROXYACETONE
KINASE

(Citrobacter
freundii) 		PF02733
(Dak1)
PF02734
(Dak2) 		4 ILE A  40
GLN A  96
THR A  93
LEU A  46
 None
 1.15A 6f3mD-1un9A:
undetectable		 6f3mD-1un9A:
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.
1uwi BETA-GALACTOSIDASE

(Sulfolobus
solfataricus) 		PF00232
(Glyco_hydro_1) 		4 ILE A 261
THR A 386
THR A 203
LEU A 314
 None
 0.96A 6f3mD-1uwiA:
undetectable		 6f3mD-1uwiA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v95 NUCLEAR RECEPTOR
COACTIVATOR 5

(Homo sapiens) 		PF03129
(HGTP_anticodon) 		5 ILE A  67
GLN A  69
THR A  20
THR A  78
LEU A  49
 None
 1.49A 6f3mD-1v95A:
undetectable		 6f3mD-1v95A:
14.73
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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		4 ILE A 143
THR A  73
THR A 140
LEU A 221
 None
 1.12A 6f3mD-1w8oA:
undetectable		 6f3mD-1w8oA:
21.75
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.
1wcz GLUTAMYL
ENDOPEPTIDASE

(Staphylococcus
aureus) 		PF13365
(Trypsin_2) 		4 ILE A 181
GLN A 124
THR A 123
THR A 130
 None
 0.99A 6f3mD-1wczA:
undetectable		 6f3mD-1wczA:
20.13
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.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 ILE A 163
THR A 516
THR A 533
LEU A 170
 None
 0.87A 6f3mD-1wkbA:
undetectable		 6f3mD-1wkbA:
21.58
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.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 ILE A 163
THR A 516
THR A 533
LEU A 170
 None
 0.85A 6f3mD-1wz2A:
undetectable		 6f3mD-1wz2A:
19.14
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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		4 ILE A 494
THR A 491
THR A  93
LEU A 365
 GDP  A1002 (-3.9A)
GDP  A1002 (-4.7A)
None
None
 1.08A 6f3mD-1xjeA:
undetectable		 6f3mD-1xjeA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT

(Acetoanaerobium
sticklandii) 		PF09043
(Lys-AminoMut_A) 		4 ILE A 265
GLN A 279
THR A 275
THR A 476
 None
 1.12A 6f3mD-1xrsA:
2.1		 6f3mD-1xrsA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a81 CARB

(Pectobacterium
carotovorum) 		PF00378
(ECH_1) 		4 GLN A 220
THR A 221
THR A 148
LEU A  91
 None
 1.08A 6f3mD-2a81A:
undetectable		 6f3mD-2a81A:
20.22
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.
2be1 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		no annotation 4 ILE A 155
GLN A 394
THR A 395
LEU A 169
 None
 1.05A 6f3mD-2be1A:
undetectable		 6f3mD-2be1A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fno AGR_PAT_752P

(Agrobacterium
fabrum) 		no annotation 4 ILE A 137
THR A 190
THR A 169
LEU A 149
 None
 1.12A 6f3mD-2fnoA:
undetectable		 6f3mD-2fnoA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g7z CONSERVED
HYPOTHETICAL PROTEIN
SPY1493

(Streptococcus
pyogenes) 		PF02645
(DegV) 		4 ILE A 263
GLN A 122
THR A 259
LEU A 192
 HXA  A9136 (-4.2A)
None
HXA  A9136 ( 3.7A)
None
 0.97A 6f3mD-2g7zA:
undetectable		 6f3mD-2g7zA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		4 ILE A 161
GLN A 144
THR A 141
THR A  32
 None
None
None
NAG  A   4 (-3.4A)
 1.14A 6f3mD-2gjxA:
undetectable		 6f3mD-2gjxA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2)
no annotation 		4 ILE I 161
GLN I 144
THR I 141
THR A  32
 None
None
None
NAG  A   4 (-4.0A)
 1.10A 6f3mD-2gk1I:
undetectable		 6f3mD-2gk1I:
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.
2j0u ATP-DEPENDENT RNA
HELICASE DDX48

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ILE A 181
GLN A 213
THR A 212
LEU A 100
 None
 1.00A 6f3mD-2j0uA:
undetectable		 6f3mD-2j0uA:
21.91
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.
2k1g LIPOPROTEIN SPR

(Escherichia
coli) 		PF00877
(NLPC_P60) 		4 ILE A 122
GLN A  79
THR A  75
THR A 105
 None
 0.91A 6f3mD-2k1gA:
undetectable		 6f3mD-2k1gA:
13.33
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.
2k3x CHROMATIN
MODIFICATION-RELATED
PROTEIN EAF3

(Saccharomyces
cerevisiae) 		PF11717
(Tudor-knot) 		4 ILE A  56
GLN A  51
THR A  53
LEU A  10
 None
 1.15A 6f3mD-2k3xA:
undetectable		 6f3mD-2k3xA:
15.56
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.
2pq6 UDP-GLUCURONOSYL/UDP
-GLUCOSYLTRANSFERASE

(Medicago
truncatula) 		PF00201
(UDPGT) 		4 ILE A  14
THR A 131
THR A  44
LEU A  91
 None
 1.08A 6f3mD-2pq6A:
4.0		 6f3mD-2pq6A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		4 ILE A  72
GLN A 117
THR A 116
LEU A  92
 None
 1.14A 6f3mD-2qxlA:
undetectable		 6f3mD-2qxlA:
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.
2ze4 PHOSPHOLIPASE D

(Streptomyces
antibioticus) 		PF13091
(PLDc_2) 		4 ILE A 184
GLN A  49
THR A  50
THR A 181
 None
 0.89A 6f3mD-2ze4A:
undetectable		 6f3mD-2ze4A:
22.41
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)
 0.60A 6f3mD-3ce6A:
52.3		 6f3mD-3ce6A:
48.86
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 ILE A1054
THR A 990
THR A1083
LEU A1094
 None
 1.04A 6f3mD-3f2bA:
undetectable		 6f3mD-3f2bA:
18.83
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)
 0.57A 6f3mD-3g1uA:
54.7		 6f3mD-3g1uA:
55.65
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.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 ILE A 312
GLN A 327
THR A 379
LEU A 319
 None
 1.08A 6f3mD-3g25A:
undetectable		 6f3mD-3g25A:
23.20
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)
 0.50A 6f3mD-3glqA:
53.9		 6f3mD-3glqA:
50.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gtd FUMARATE HYDRATASE
CLASS II

(Rickettsia
prowazekii) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 ILE A 215
GLN A 159
THR A 156
LEU A 288
 None
 1.09A 6f3mD-3gtdA:
undetectable		 6f3mD-3gtdA:
21.92
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.
3gzd SELENOCYSTEINE LYASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		4 ILE C 193
GLN C 174
THR C 175
LEU C 248
 None
 1.02A 6f3mD-3gzdC:
undetectable		 6f3mD-3gzdC:
22.88
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)
 0.40A 6f3mD-3h9uA:
56.9		 6f3mD-3h9uA:
56.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iby FERROUS IRON
TRANSPORT PROTEIN B

(Legionella
pneumophila) 		PF02421
(FeoB_N) 		4 ILE A  50
THR A   2
THR A  22
LEU A   6
 None
 1.09A 6f3mD-3ibyA:
2.2		 6f3mD-3ibyA:
20.22
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.
3j4j TRANSLATION
INITIATION FACTOR
IF-2

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF04760
(IF2_N)
PF11987
(IF-2) 		4 ILE A 149
GLN A 160
THR A 161
LEU A  90
 None
 1.15A 6f3mD-3j4jA:
undetectable		 6f3mD-3j4jA:
23.73
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.
3k8p PROTEIN TRANSPORT
PROTEIN SEC39

(Saccharomyces
cerevisiae) 		PF08314
(Sec39) 		4 ILE D 577
GLN D 621
THR D 618
THR D 588
 None
 1.03A 6f3mD-3k8pD:
undetectable		 6f3mD-3k8pD:
20.22
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.
3k9y 1,25-DIHYDROXYVITAMI
N D(3)
24-HYDROXYLASE,
MITOCHONDRIAL

(Rattus
norvegicus) 		PF00067
(p450) 		4 ILE A 338
GLN A 349
THR A 388
LEU A 507
 None
 0.97A 6f3mD-3k9yA:
undetectable		 6f3mD-3k9yA:
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.
3kx2 PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Saccharomyces
cerevisiae) 		no annotation 4 ILE B 176
GLN B 147
THR B 192
LEU B 168
 None
MG  B 800 ( 4.8A)
None
None
 1.12A 6f3mD-3kx2B:
undetectable		 6f3mD-3kx2B:
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.
3m19 VARIABLE LYMPHOCYTE
RECEPTOR A DIVERSITY
REGION

(Petromyzon
marinus) 		PF13855
(LRR_8) 		4 ILE A  32
THR A  36
THR A  53
LEU A  65
 None
 0.87A 6f3mD-3m19A:
undetectable		 6f3mD-3m19A:
20.68
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.
3mbe TCR 21.3 ALPHA CHAIN

(Mus musculus) 		PF07686
(V-set)
PF09291
(DUF1968) 		4 ILE C 191
THR C 173
THR C 154
LEU C 178
 None
 1.13A 6f3mD-3mbeC:
undetectable		 6f3mD-3mbeC:
18.04
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.
3myx UNCHARACTERIZED
PROTEIN PSPTO_0244

(Pseudomonas
syringae group
genomosp. 3) 		PF05899
(Cupin_3) 		4 ILE A 126
GLN A  99
THR A  98
THR A  76
 None
EDO  A 239 (-3.5A)
None
None
 1.06A 6f3mD-3myxA:
undetectable		 6f3mD-3myxA:
21.21
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)
 0.49A 6f3mD-3n58A:
54.4		 6f3mD-3n58A:
53.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyw PUTATIVE
OXIDOREDUCTASE

(Bacteroides
thetaiotaomicron) 		PF00106
(adh_short) 		4 ILE A 122
THR A  11
THR A 127
LEU A 166
 None
 1.06A 6f3mD-3nywA:
8.1		 6f3mD-3nywA:
20.38
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)
 0.30A 6f3mD-3oneA:
51.7		 6f3mD-3oneA:
47.80
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.
3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Lactobacillus
brevis) 		PF00348
(polyprenyl_synt) 		4 ILE A 270
GLN A 228
THR A 227
LEU A 244
 None
 1.09A 6f3mD-3pkoA:
undetectable		 6f3mD-3pkoA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		4 ILE A 136
GLN A 179
THR A  58
LEU A 316
 None
 1.15A 6f3mD-3q9cA:
3.2		 6f3mD-3q9cA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s8i PROTEIN DDI1 HOMOLOG
1

(Homo sapiens) 		PF09668
(Asp_protease) 		4 ILE A 246
GLN A 357
THR A 358
LEU A 344
 None
 1.05A 6f3mD-3s8iA:
undetectable		 6f3mD-3s8iA:
16.51
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		4 ILE A1244
THR A 935
THR A 602
LEU A 922
 None
 0.99A 6f3mD-3sfzA:
undetectable		 6f3mD-3sfzA:
17.36
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.
3vlb XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE A

(Aspergillus
aculeatus) 		PF01670
(Glyco_hydro_12) 		4 ILE B  82
GLN B  78
THR B  77
THR B 183
 None
 1.06A 6f3mD-3vlbB:
undetectable		 6f3mD-3vlbB:
18.67
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.
3vr5 V-TYPE SODIUM ATPASE
SUBUNIT D
V-TYPE SODIUM ATPASE
SUBUNIT G

(Enterococcus
hirae) 		PF01813
(ATP-synt_D)
PF01990
(ATP-synt_F) 		4 ILE G  54
GLN G  59
THR G  58
LEU H  87
 None
 1.00A 6f3mD-3vr5G:
undetectable		 6f3mD-3vr5G:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3woy CLIP-ASSOCIATING
PROTEIN 2

(Homo sapiens) 		PF12348
(CLASP_N) 		4 ILE A 178
THR A 181
THR A 159
LEU A  99
 None
 0.88A 6f3mD-3woyA:
undetectable		 6f3mD-3woyA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wq8 BETA-GLUCOSIDASE

(Pyrococcus
furiosus) 		PF00232
(Glyco_hydro_1) 		4 ILE A 262
THR A 371
THR A 204
LEU A 299
 None
 0.94A 6f3mD-3wq8A:
undetectable		 6f3mD-3wq8A:
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.
3zyi LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF07679
(I-set)
PF13855
(LRR_8) 		4 ILE A  73
THR A  77
THR A  94
LEU A 106
 None
 0.78A 6f3mD-3zyiA:
undetectable		 6f3mD-3zyiA:
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.
3zyn LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4B

(Mus musculus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 ILE A  86
THR A  90
THR A 107
LEU A 119
 None
 0.75A 6f3mD-3zynA:
undetectable		 6f3mD-3zynA:
21.02
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.
3zyo LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4B

(Mus musculus) 		PF00560
(LRR_1)
PF07679
(I-set)
PF13855
(LRR_8) 		4 ILE A  86
THR A  90
THR A 107
LEU A 119
 None
 0.92A 6f3mD-3zyoA:
undetectable		 6f3mD-3zyoA:
20.91
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.
4ac3 BIFUNCTIONAL PROTEIN
GLMU

(Streptococcus
pneumoniae) 		PF00132
(Hexapep)
PF00483
(NTP_transferase)
PF14602
(Hexapep_2) 		4 ILE A   6
GLN A  72
THR A  67
LEU A  33
 None
 1.13A 6f3mD-4ac3A:
undetectable		 6f3mD-4ac3A:
23.38
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.
4bxw FACTOR XA

(Pseudonaja
textilis) 		PF00089
(Trypsin)
PF14670
(FXa_inhibition) 		4 ILE A 376
GLN A 184
THR A 199
THR A 368
 None
 1.08A 6f3mD-4bxwA:
undetectable		 6f3mD-4bxwA:
21.02
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.
4c89 ESTERASE

(Lactobacillus
plantarum) 		PF07859
(Abhydrolase_3) 		4 ILE A 195
THR A 184
THR A 166
LEU A 133
 None
 1.13A 6f3mD-4c89A:
5.5		 6f3mD-4c89A:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G

(Escherichia
coli) 		PF05175
(MTS) 		4 ILE A 147
THR A 151
THR A 165
LEU A  35
 None
 1.03A 6f3mD-4dcmA:
6.6		 6f3mD-4dcmA:
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.
4ha4 BETA-GALACTOSIDASE

(Acidilobus
saccharovorans) 		PF00232
(Glyco_hydro_1) 		4 ILE A 263
THR A 384
THR A 205
LEU A 312
 None
 0.96A 6f3mD-4ha4A:
undetectable		 6f3mD-4ha4A:
21.59
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 ILE A 278
GLN A 371
THR A 370
LEU A 337
 None
 1.13A 6f3mD-4iglA:
undetectable		 6f3mD-4iglA:
14.86
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.
4j9t DESIGNED UNNATURAL
AMINO ACID DEPENDENT
METALLOPROTEIN

(Micromonospora
viridifaciens) 		PF13088
(BNR_2) 		4 ILE A 143
THR A  73
THR A 140
LEU A 221
 None
 1.15A 6f3mD-4j9tA:
undetectable		 6f3mD-4j9tA:
20.13
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.
4jwy GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2D

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A 213
GLN A 194
THR A 168
LEU A 164
 None
 1.12A 6f3mD-4jwyA:
undetectable		 6f3mD-4jwyA:
19.11
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.
4jz7 CARBAMATE KINASE

(Giardia
intestinalis) 		PF00696
(AA_kinase) 		4 ILE A 214
GLN A 116
THR A 117
LEU A  78
 None
 1.07A 6f3mD-4jz7A:
2.3		 6f3mD-4jz7A:
21.92
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.
4k92 CLIP-ASSOCIATING
PROTEIN 1

(Homo sapiens) 		PF12348
(CLASP_N) 		4 ILE A 410
THR A 413
THR A 391
LEU A 331
 None
 0.93A 6f3mD-4k92A:
undetectable		 6f3mD-4k92A:
19.95
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.
4le7 PYOCIN L1

(Pseudomonas
aeruginosa) 		PF01453
(B_lectin) 		4 ILE A 185
THR A 169
THR A 195
LEU A 213
 None
 1.10A 6f3mD-4le7A:
undetectable		 6f3mD-4le7A:
18.44
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)
 0.19A 6f3mD-4lvcA:
53.7		 6f3mD-4lvcA:
53.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m6w FANCONI ANEMIA GROUP
M PROTEIN
FANCONI
ANEMIA-ASSOCIATED
PROTEIN OF 24 KDA

(Homo sapiens) 		PF02732
(ERCC4)
PF12826
(HHH_2) 		4 ILE A1979
GLN B 165
THR B 162
THR A1986
 None
 1.07A 6f3mD-4m6wA:
2.7		 6f3mD-4m6wA:
19.63
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.
4n6k TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Desulfovibrio
salexigens) 		PF03480
(DctP) 		5 ILE A 157
GLN A 159
THR A 229
THR A 235
LEU A 168
 None
 1.49A 6f3mD-4n6kA:
undetectable		 6f3mD-4n6kA:
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.
4ni5 OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Brucella suis) 		PF13561
(adh_short_C2) 		4 ILE A 141
GLN A 246
THR A 244
LEU A 202
 None
 1.15A 6f3mD-4ni5A:
8.4		 6f3mD-4ni5A:
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.
4ni5 OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Brucella suis) 		PF13561
(adh_short_C2) 		4 ILE A 141
GLN A 246
THR A 244
LEU A 211
 None
 0.97A 6f3mD-4ni5A:
8.4		 6f3mD-4ni5A:
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.
4ntq CONTACT-DEPENDENT
INHIBITOR A
ECL CDII

(Enterobacter
cloacae) 		PF15526
(Ntox21)
no annotation 		4 ILE B  77
GLN A 181
THR B  74
LEU B  34
 None
 1.14A 6f3mD-4ntqB:
undetectable		 6f3mD-4ntqB:
14.04
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.
4ofz TREHALOSE-PHOSPHATAS
E

(Brugia malayi) 		no annotation 4 ILE A  99
GLN A  76
THR A  78
LEU A 141
 None
 1.02A 6f3mD-4ofzA:
5.0		 6f3mD-4ofzA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgh PROTEIN DDI1 HOMOLOG
2

(Homo sapiens) 		PF09668
(Asp_protease) 		4 ILE A 206
GLN A 317
THR A 318
LEU A 304
 None
 1.03A 6f3mD-4rghA:
undetectable		 6f3mD-4rghA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u0p LIPOYL SYNTHASE 2

(Thermosynechococcus
elongatus) 		PF04055
(Radical_SAM) 		4 ILE B  89
THR B 122
THR B  35
LEU B  96
 None
 1.14A 6f3mD-4u0pB:
undetectable		 6f3mD-4u0pB:
20.26
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.
4u0p LIPOYL SYNTHASE 2

(Thermosynechococcus
elongatus) 		PF04055
(Radical_SAM) 		4 ILE B  89
THR B 122
THR B  35
LEU B  98
 None
 0.97A 6f3mD-4u0pB:
undetectable		 6f3mD-4u0pB:
20.26
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.
5cd2 ENDO-1,4-D-GLUCANASE

(Aliivibrio
fischeri) 		PF01270
(Glyco_hydro_8) 		4 ILE A  71
GLN A  77
THR A  73
THR A 120
 None
None
GOL  A 402 ( 4.5A)
None
 1.12A 6f3mD-5cd2A:
undetectable		 6f3mD-5cd2A:
23.11
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.
5hev RESPONSE REGULATOR
PROTEIN VRAR

(Enterococcus
faecium) 		PF00072
(Response_reg)
PF00196
(GerE) 		4 ILE A  79
GLN A 119
THR A 118
LEU A   5
 None
 1.13A 6f3mD-5hevA:
2.0		 6f3mD-5hevA:
18.90
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.
5ie2 OXALATE--COA LIGASE

(Arabidopsis
thaliana) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ILE A 395
GLN A 355
THR A 392
LEU A 404
 None
 1.14A 6f3mD-5ie2A:
4.2		 6f3mD-5ie2A:
23.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k8g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 4 ILE A 189
GLN A 118
THR A 140
LEU A 122
 None
 1.12A 6f3mD-5k8gA:
undetectable		 6f3mD-5k8gA:
21.73
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 ILE A 773
THR A 756
THR A 781
LEU A 827
 None
 1.14A 6f3mD-5m59A:
undetectable		 6f3mD-5m59A:
13.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		4 ILE A 238
THR A 156
THR A 211
LEU A 217
 None
 1.13A 6f3mD-5svcA:
undetectable		 6f3mD-5svcA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ul4 OXSB PROTEIN

(Bacillus
megaterium) 		PF02310
(B12-binding) 		4 ILE A 345
GLN A 337
THR A 289
LEU A 385
 None
EDO  A 811 (-4.5A)
None
None
 1.06A 6f3mD-5ul4A:
3.5		 6f3mD-5ul4A:
19.95
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.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 4 ILE A 543
GLN A 541
THR A 540
LEU A 568
 None
 1.09A 6f3mD-5xilA:
undetectable		 6f3mD-5xilA:
10.51
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.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 4 ILE A 271
GLN A 241
THR A 303
LEU A 250
 None
 0.92A 6f3mD-5z73A:
undetectable		 6f3mD-5z73A:
10.39
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)
 0.61A 6f3mD-6aphA:
58.3		 6f3mD-6aphA:
56.25
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.
6brd RIFAMPIN
MONOOXYGENASE

(Streptomyces
venezuelae) 		no annotation 4 ILE A 369
GLN A 288
THR A 373
THR A  80
 None
 0.87A 6f3mD-6brdA:
3.4		 6f3mD-6brdA:
10.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 4 ILE A 449
THR A 137
THR A 306
LEU A 124
 HEM  A 600 ( 4.3A)
None
HEM  A 600 ( 4.9A)
None
 1.11A 6f3mD-6c93A:
undetectable		 6f3mD-6c93A:
12.07
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.
6cv0 SPIKE GLYCOPROTEIN

(Avian
coronavirus) 		no annotation 4 ILE A 933
GLN A 600
THR A 601
LEU A 697
 None
 0.98A 6f3mD-6cv0A:
undetectable		 6f3mD-6cv0A:
10.75
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Mus musculus) 		no annotation 4 ILE M 178
GLN M 168
THR M 173
THR M 183
 None
 1.02A 6f3mD-6g2jM:
undetectable		 6f3mD-6g2jM:
11.61
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.
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)
 0.19A 6f3mD-6gbnA:
57.5		 6f3mD-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.
6gmb HYDROXYACID OXIDASE
1

(Homo sapiens) 		no annotation 4 GLN A 350
THR A  60
THR A  64
LEU A 304
 None
 1.04A 6f3mD-6gmbA:
undetectable		 6f3mD-6gmbA:
11.34