SIMILAR PATTERNS OF AMINO ACIDS FOR 4PGF_B_ADNB502

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.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 HIS A  52
GLU A 413
ASP A  25
GLU A  47
GLY A 412
 None
 1.37A 4pgfB-1fw8A:
4.2		 4pgfB-1fw8A:
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.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 ASP A 244
LEU A 352
LEU A 262
GLY A 263
PHE A 214
 None
 1.37A 4pgfB-1hkkA:
undetectable		 4pgfB-1hkkA:
22.69
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.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 HIS A 123
GLU A  69
ASP A  96
GLU A 118
GLY A  68
 None
 1.42A 4pgfB-1qpgA:
3.5		 4pgfB-1qpgA:
23.67
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
GLU A  58
ASP A 134
GLU A 200
LYS A 230
ASP A 234
LEU A 389
LEU A 392
GLY A 397
HIS A 398
MET A 403
PHE A 407
 ADN  A 502 (-4.1A)
ADN  A 502 (-3.6A)
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 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
 0.66A 4pgfB-1v8bA:
29.8		 4pgfB-1v8bA:
51.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 ASP A 244
LEU A 354
LEU A 262
GLY A 263
PHE A 214
 None
 1.41A 4pgfB-1wb0A:
undetectable		 4pgfB-1wb0A:
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.
2cvz 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 HIS A 273
ASP A 272
GLU A 275
LEU A 213
LEU A 176
 None
 1.30A 4pgfB-2cvzA:
4.4		 4pgfB-2cvzA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iy4 NON-HEME
IRON-CONTAINING
FERRITIN

(Listeria
monocytogenes) 		PF00210
(Ferritin) 		5 ASP A  58
GLU A  59
LEU A  65
MET A 131
PHE A 135
 None
 1.28A 4pgfB-2iy4A:
undetectable		 4pgfB-2iy4A:
15.73
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.
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
 1.39A 4pgfB-2xsrA:
undetectable		 4pgfB-2xsrA:
21.54
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.
2zzr UNSATURATED
GLUCURONYL HYDROLASE

(Streptococcus
agalactiae) 		PF07470
(Glyco_hydro_88) 		5 ASP A 145
GLU A 149
LEU A 183
LEU A 182
GLY A 117
 None
 1.33A 4pgfB-2zzrA:
undetectable		 4pgfB-2zzrA:
23.35
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 GLU A 218
LYS A 248
ASP A 252
LEU A 407
HIS A 416
 ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 3.6A)
 1.35A 4pgfB-3ce6A:
55.4		 4pgfB-3ce6A:
54.45
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) 		10 HIS A  69
ASP A 156
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.57A 4pgfB-3ce6A:
55.4		 4pgfB-3ce6A:
54.45
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) 		8 HIS A  69
GLU A 218
LYS A 248
ASP A 252
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.67A 4pgfB-3ce6A:
55.4		 4pgfB-3ce6A:
54.45
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) 		9 HIS A  52
ASP A 130
GLU A 155
LEU A 343
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
 ADN  A 438 (-4.0A)
ADN  A 438 (-4.1A)
ADN  A 438 (-3.8A)
NAD  A 439 ( 4.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
 0.44A 4pgfB-3g1uA:
31.3		 4pgfB-3g1uA:
70.91
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) 		8 HIS A  62
ASP A 139
LEU A 385
LEU A 388
GLY A 393
HIS A 394
MET A 399
PHE A 403
 RAB  A 602 (-3.8A)
RAB  A 602 (-3.0A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.68A 4pgfB-3glqA:
58.2		 4pgfB-3glqA:
56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 HIS A  62
GLU A 199
LYS A 229
ASP A 233
LEU A 385
LEU A 388
GLY A 393
HIS A 394
MET A 399
PHE A 403
 RAB  A 602 (-3.8A)
RAB  A 602 (-4.6A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.54A 4pgfB-3glqA:
58.2		 4pgfB-3glqA:
56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 HIS A  52
ASP A 130
GLU A 155
LYS A 185
ASP A 189
LEU A 343
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
 ADN  A 439 ( 4.7A)
None
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
 0.63A 4pgfB-3h9uA:
62.4		 4pgfB-3h9uA:
71.75
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.
3hoa THERMOSTABLE
CARBOXYPEPTIDASE 1

(Thermus
thermophilus) 		PF02074
(Peptidase_M32) 		5 GLU A 502
ASP A 362
GLU A 363
LEU A 368
LEU A 192
 None
 1.29A 4pgfB-3hoaA:
undetectable		 4pgfB-3hoaA:
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.
3jav INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08454
(RIH_assoc)
PF08709
(Ins145_P3_rec) 		5 HIS A 198
GLU A 208
LEU A 142
LEU A 141
HIS A 194
 None
 1.36A 4pgfB-3javA:
undetectable		 4pgfB-3javA:
9.75
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		5 HIS A 497
ASP A 498
GLU A 499
LEU A  67
PHE A 452
 None
EDO  A 901 (-4.4A)
None
None
None
 1.38A 4pgfB-3k8kA:
undetectable		 4pgfB-3k8kA:
19.25
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.
3k9c TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF13377
(Peripla_BP_3) 		5 ASP A 280
ASP A 169
LEU A  88
GLY A 133
PHE A 251
 GOL  A 349 (-2.8A)
None
None
None
None
 1.36A 4pgfB-3k9cA:
4.2		 4pgfB-3k9cA:
19.82
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.
3lkb PROBABLE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER, AMINO
ACID BINDING PROTEIN

(Thermus
thermophilus) 		PF13458
(Peripla_BP_6) 		5 GLU A 200
GLU A 140
LEU A 170
LEU A 172
GLY A 143
 None
 1.36A 4pgfB-3lkbA:
3.7		 4pgfB-3lkbA:
20.75
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) 		10 HIS A  55
ASP A 132
GLU A 192
LYS A 222
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.61A 4pgfB-3n58A:
29.9		 4pgfB-3n58A:
58.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  55
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-4.0A)
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)
 1.46A 4pgfB-3n58A:
29.9		 4pgfB-3n58A:
58.55
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) 		10 HIS A  55
GLU A 192
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.33A 4pgfB-3n58A:
29.9		 4pgfB-3n58A:
58.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
ASP A 139
GLU A 205
LYS A 235
LEU A 395
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 (-4.2A)
 1.48A 4pgfB-3oneA:
54.7		 4pgfB-3oneA:
55.94
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) 		9 HIS A  62
ASP A 139
GLU A 205
LYS A 235
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.72A 4pgfB-3oneA:
54.7		 4pgfB-3oneA:
55.94
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) 		10 HIS A  62
GLU A 205
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.41A 4pgfB-3oneA:
54.7		 4pgfB-3oneA:
55.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wz2 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09754
(PAC2) 		5 HIS A  31
ASP A  83
LEU A 219
LEU A  28
GLY A  27
 None
 1.38A 4pgfB-3wz2A:
undetectable		 4pgfB-3wz2A:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 4pgfB-4cw4A:
undetectable		 4pgfB-4cw4A:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dj3 PERIOD CIRCADIAN
PROTEIN HOMOLOG 3

(Mus musculus) 		PF08447
(PAS_3) 		5 ASP A 284
GLU A 285
LEU A 291
LEU A 290
GLY A 257
 None
 1.14A 4pgfB-4dj3A:
undetectable		 4pgfB-4dj3A:
19.96
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		5 ASP A 158
LEU A  76
LEU A  79
GLY A  39
HIS A  36
 None
None
None
None
ZN  A 401 (-3.3A)
 1.36A 4pgfB-4gxwA:
undetectable		 4pgfB-4gxwA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kny KDP OPERON
TRANSCRIPTIONAL
REGULATORY PROTEIN
KDPE

(Escherichia
coli) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 ASP A  59
GLU A  62
ASP A  66
LEU A  51
GLY A  37
 None
 1.34A 4pgfB-4knyA:
6.3		 4pgfB-4knyA:
22.93
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) 		11 HIS A  58
ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 383
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 ADN  A 501 (-4.0A)
ADN  A 501 (-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 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.65A 4pgfB-4lvcA:
57.4		 4pgfB-4lvcA:
57.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.27A 4pgfB-4mo9A:
undetectable		 4pgfB-4mo9A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o6i NUCLEOPROTEIN

(Lymphocytic
choriomeningitis
mammarenavirus) 		PF17290
(Arena_ncap_C) 		5 GLU A 392
ASP A 389
LEU A 428
LEU A 431
HIS A 424
 ZN  A 601 (-2.4A)
None
None
None
None
 1.26A 4pgfB-4o6iA:
undetectable		 4pgfB-4o6iA:
19.66
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.
4uml GANGLIOSIDE-INDUCED
DIFFERENTIATION-ASSO
CIATED PROTEIN 2

(Homo sapiens) 		PF01661
(Macro) 		5 HIS A 127
GLU A 111
LEU A 101
LEU A  79
GLY A 106
 None
 1.18A 4pgfB-4umlA:
2.1		 4pgfB-4umlA:
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.
5edx CD8 ALPHA ANTIGEN

(Sus scrofa) 		PF07686
(V-set) 		5 ASP A  88
GLU A  87
LEU A  49
LEU A  63
GLY A  62
 None
 1.27A 4pgfB-5edxA:
undetectable		 4pgfB-5edxA:
14.22
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.
5ep0 PUTATIVE REPRESSOR
PROTEIN LUXO

(Photobacterium
angustum) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat) 		5 GLU A 177
ASP A 241
LEU A 310
MET A 239
PHE A 194
 None
SO4  A 401 ( 4.6A)
None
None
None
 1.35A 4pgfB-5ep0A:
2.0		 4pgfB-5ep0A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ep1 PUTATIVE REPRESSOR
PROTEIN LUXO

(Photobacterium
angustum) 		PF00158
(Sigma54_activat) 		5 GLU A 177
ASP A 241
LEU A 310
MET A 239
PHE A 194
 None
 1.32A 4pgfB-5ep1A:
undetectable		 4pgfB-5ep1A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fr8 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLU A 323
ASP A 116
LEU A 281
LEU A 278
GLY A 264
 None
 1.47A 4pgfB-5fr8A:
undetectable		 4pgfB-5fr8A:
20.95
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.
5jia RAN-BINDING PROTEIN
10

(Mus musculus) 		PF00622
(SPRY) 		5 HIS A 143
ASP A 146
LEU A 132
GLY A 205
PHE A 163
 None
 1.19A 4pgfB-5jiaA:
undetectable		 4pgfB-5jiaA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jiu RAN-BINDING PROTEIN
9

(Homo sapiens) 		PF00622
(SPRY) 		5 HIS A 255
ASP A 258
LEU A 244
GLY A 317
PHE A 275
 None
 1.24A 4pgfB-5jiuA:
undetectable		 4pgfB-5jiuA:
19.09
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.
5ktk POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF08659
(KR) 		5 HIS A 153
GLU A 150
GLU A 109
LEU A 116
LEU A 154
 None
 1.36A 4pgfB-5ktkA:
4.9		 4pgfB-5ktkA:
21.42
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.
5kzm TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Francisella
tularensis) 		PF00290
(Trp_syntA) 		5 GLU A  50
ASP A 131
ASP A  61
LEU A 106
GLY A  52
 None
 1.46A 4pgfB-5kzmA:
undetectable		 4pgfB-5kzmA:
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.
5t98 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLU A 209
ASP A 202
ASP A 161
LEU A 199
GLY A 131
 None
 1.41A 4pgfB-5t98A:
undetectable		 4pgfB-5t98A:
19.37
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
GLU A  57
ASP A 137
GLU A 211
LYS A 241
LEU A 401
LEU A 404
GLY A 409
HIS A 410
MET A 415
PHE A 419
 SAH  A 502 (-4.0A)
SAH  A 502 (-3.7A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
SAH  A 502 (-2.9A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.66A 4pgfB-5utuA:
52.5		 4pgfB-5utuA:
47.90
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
GLU A  57
GLU A 211
LYS A 241
ASP A 245
LEU A 401
LEU A 404
GLY A 409
HIS A 410
MET A 415
PHE A 419
 SAH  A 502 (-4.0A)
SAH  A 502 (-3.7A)
SAH  A 502 (-3.8A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.44A 4pgfB-5utuA:
52.5		 4pgfB-5utuA:
47.90
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
GLU A  63
ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 386
LEU A 389
GLY A 394
HIS A 395
MET A 400
PHE A 404
 ADN  A 502 ( 3.9A)
ADN  A 502 (-3.6A)
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 ( 4.7A)
ADN  A 502 (-3.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.64A 4pgfB-5v96A:
56.3		 4pgfB-5v96A:
56.31
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
GLY A 352
HIS A 353
MET A 358
PHE A 362
 None
None
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.90A 4pgfB-5w4bA:
55.6		 4pgfB-5w4bA:
99.53
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 GLU A  59
ASP A 131
LYS A 186
HIS A 353
MET A 358
PHE A 362
 9W4  A 502 (-3.8A)
None
None
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.92A 4pgfB-5w4bA:
55.6		 4pgfB-5w4bA:
99.53
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 HIS A  55
GLU A  59
ASP A 131
LYS A 186
MET A 358
PHE A 362
 9W4  A 502 (-3.7A)
9W4  A 502 (-3.8A)
None
None
9W4  A 502 (-3.6A)
None
 0.84A 4pgfB-5w4bA:
55.6		 4pgfB-5w4bA:
99.53
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 HIS A  55
GLU A  59
GLU A 156
LYS A 186
MET A 358
PHE A 362
 9W4  A 502 (-3.7A)
9W4  A 502 (-3.8A)
None
None
9W4  A 502 (-3.6A)
None
 0.84A 4pgfB-5w4bA:
55.6		 4pgfB-5w4bA:
99.53
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 HIS A  55
GLU A 156
LYS A 186
ASP A 190
MET A 358
PHE A 362
 9W4  A 502 (-3.7A)
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
 0.93A 4pgfB-5w4bA:
55.6		 4pgfB-5w4bA:
99.53
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
 0.90A 4pgfB-5w4bA:
55.6		 4pgfB-5w4bA:
99.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LYS A 186
ASP A 190
LEU A 344
LEU A 347
GLY A 352
HIS A 353
MET A 358
 None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
 1.02A 4pgfB-5w4bA:
55.6		 4pgfB-5w4bA:
99.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LYS A 186
ASP A 190
LEU A 347
HIS A 353
PHE A 362
 None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
NAD  A 501 (-4.5A)
None
 1.38A 4pgfB-5w4bA:
55.6		 4pgfB-5w4bA:
99.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wah IGA FC RECEPTOR

(Streptococcus
agalactiae) 		no annotation 5 GLU A  44
ASP A  50
GLU A  51
LEU A  58
LEU A  61
 None
 1.46A 4pgfB-5wahA:
undetectable		 4pgfB-5wahA:
9.03
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.
5ykn PROBABLE
LYSINE-SPECIFIC
DEMETHYLASE JMJ14

(Arabidopsis
thaliana) 		no annotation 5 HIS A 439
GLU A 426
LEU A 418
LEU A 443
MET A 490
 None
 1.42A 4pgfB-5yknA:
undetectable		 4pgfB-5yknA:
10.49
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) 		7 GLU A 161
LYS A 191
ASP A 195
GLY A 357
HIS A 358
MET A 363
PHE A 367
 ADN  A 501 (-2.5A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.71A 4pgfB-6aphA:
62.5		 4pgfB-6aphA:
66.82
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 GLU A 161
LYS A 191
ASP A 195
LEU A 349
HIS A 358
 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)
 1.33A 4pgfB-6aphA:
62.5		 4pgfB-6aphA:
66.82
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) 		10 HIS A  58
ASP A 136
LYS A 191
ASP A 195
LEU A 349
LEU A 352
GLY A 357
HIS A 358
MET A 363
PHE A 367
 ADN  A 501 (-3.9A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.52A 4pgfB-6aphA:
62.5		 4pgfB-6aphA:
66.82
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.
6c0d AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Paraburkholderia
phymatum) 		no annotation 5 GLU A 186
GLU A 127
ASP A  92
LEU A  20
GLY A  96
 None
ZN  A 501 ( 4.9A)
ZN  A 501 (-2.8A)
None
None
 1.42A 4pgfB-6c0dA:
undetectable		 4pgfB-6c0dA:
10.54
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.
6exn PRE-MRNA-SPLICING
FACTOR CWC2

(Saccharomyces
cerevisiae) 		no annotation 5 HIS M  92
ASP M  95
GLU M  97
LEU M  90
GLY M  64
 None
 1.21A 4pgfB-6exnM:
undetectable		 4pgfB-6exnM:
10.66
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.
6f3m -

(-) 		no annotation 10 HIS B  61
ASP B 139
GLU B 164
LYS B 194
LEU B 373
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391
 ADN  B 502 ( 4.0A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
ADN  B 502 (-2.8A)
NAD  B 501 ( 3.9A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.69A 4pgfB-6f3mB:
56.2		 4pgfB-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 10 HIS B  61
GLU B 164
LYS B 194
ASP B 198
LEU B 373
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391
 ADN  B 502 ( 4.0A)
ADN  B 502 (-3.6A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
NAD  B 501 ( 3.9A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.49A 4pgfB-6f3mB:
56.2		 4pgfB-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 10 HIS A  56
ASP A 134
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.64A 4pgfB-6gbnA:
62.6		 4pgfB-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 10 HIS A  56
GLU A 159
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365
 ADN  A 501 (-3.9A)
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.49A 4pgfB-6gbnA:
62.6		 4pgfB-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.
1dgs DNA LIGASE

(Thermus
filiformis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		4 THR A 149
THR A 211
THR A  72
ASN A  21
 None
 1.38A 4pgfB-1dgsA:
undetectable		 4pgfB-1dgsA:
21.23
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.
1dxy D-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Lactobacillus
casei) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 THR A 264
THR A 212
HIS A 213
ASN A 231
 None
 1.40A 4pgfB-1dxyA:
4.5		 4pgfB-1dxyA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e8c UDP-N-ACETYLMURAMOYL
ALANYL-D-GLUTAMATE--
2,6-DIAMINOPIMELATE
LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 THR A 122
THR A 123
HIS A 359
ASN A 205
 None
None
API  A1499 (-3.7A)
None
 1.28A 4pgfB-1e8cA:
2.6		 4pgfB-1e8cA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eq2 ADP-L-GLYCERO-D-MANN
OHEPTOSE 6-EPIMERASE

(Escherichia
coli) 		PF01370
(Epimerase) 		4 THR A  81
THR A  82
HIS A 187
ASN A 169
 ADQ  A2500 (-4.0A)
None
ADQ  A2500 (-3.8A)
ADQ  A2500 (-3.7A)
 1.16A 4pgfB-1eq2A:
6.3		 4pgfB-1eq2A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 THR B 519
THR B 561
THR B 650
HIS B 748
 None
PCD  B1920 ( 4.3A)
None
None
 1.33A 4pgfB-1ffvB:
undetectable		 4pgfB-1ffvB:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hxj BETA-GLUCOSIDASE

(Zea mays) 		PF00232
(Glyco_hydro_1) 		4 THR A 400
THR A 183
HIS A 233
ASN A 321
 None
 1.43A 4pgfB-1hxjA:
undetectable		 4pgfB-1hxjA:
20.16
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 THR B 525
THR B 567
THR B 656
HIS B 754
 None
MCN  B4920 (-3.8A)
None
None
 1.19A 4pgfB-1n60B:
undetectable		 4pgfB-1n60B:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1odt CEPHALOSPORIN C
DEACETYLASE

(Bacillus
subtilis) 		PF05448
(AXE1) 		4 THR C 178
THR C 187
THR C 272
HIS C 298
 None
None
None
ACT  C1318 (-4.0A)
 1.35A 4pgfB-1odtC:
4.4		 4pgfB-1odtC:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tuu ACETATE KINASE

(Methanosarcina
thermophila) 		PF00871
(Acetate_kinase) 		4 THR A 382
THR A 329
THR A 226
HIS A 152
 None
 1.28A 4pgfB-1tuuA:
undetectable		 4pgfB-1tuuA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wqa PHOSPHO-SUGAR MUTASE

(Pyrococcus
horikoshii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 THR A 284
THR A 305
THR A   7
ASN A 328
 THR  A 284 ( 0.8A)
THR  A 305 ( 0.8A)
THR  A   7 ( 0.8A)
ASN  A 328 ( 0.6A)
 1.35A 4pgfB-1wqaA:
2.4		 4pgfB-1wqaA:
21.62
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.
1y4j SULFATASE MODIFYING
FACTOR 2

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		4 THR A 238
THR A 273
HIS A 267
ASN A 285
 None
 1.42A 4pgfB-1y4jA:
undetectable		 4pgfB-1y4jA:
20.18
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		4 THR A 149
THR A 147
THR A  95
HIS A 358
 MG  A 903 ( 4.6A)
None
SEP  A  92 ( 4.1A)
ZN  A 902 (-3.2A)
 1.31A 4pgfB-1zefA:
undetectable		 4pgfB-1zefA:
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.
2iir ACETATE KINASE

(Thermotoga
maritima) 		PF00871
(Acetate_kinase) 		4 THR A 384
THR A 329
THR A 225
HIS A 151
 None
 1.18A 4pgfB-2iirA:
undetectable		 4pgfB-2iirA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ilx 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Rattus
norvegicus) 		PF05881
(CNPase) 		4 THR A 115
THR A 164
THR A  73
HIS A  71
 None
 1.21A 4pgfB-2ilxA:
undetectable		 4pgfB-2ilxA:
19.18
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.
2jmr FIMF

(Escherichia
coli) 		PF00419
(Fimbrial) 		4 THR A 140
THR A 135
HIS A  75
ASN A  84
 None
 1.40A 4pgfB-2jmrA:
undetectable		 4pgfB-2jmrA:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 THR A 340
THR A 339
HIS A 256
ASN A 349
 None
 1.34A 4pgfB-2q27A:
4.5		 4pgfB-2q27A:
22.05
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.
2qa2 POLYKETIDE OXYGENASE
CABE

(Streptomyces) 		PF01494
(FAD_binding_3) 		4 THR A  47
THR A  50
HIS A 278
ASN A 332
 None
 1.27A 4pgfB-2qa2A:
undetectable		 4pgfB-2qa2A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r5v PCZA361.1

(Amycolatopsis
orientalis) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		4 THR A 113
THR A 125
THR A  55
HIS A  40
 None
 1.30A 4pgfB-2r5vA:
undetectable		 4pgfB-2r5vA:
24.62
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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		4 THR A 272
THR A 269
THR A  44
ASN A  22
 None
 1.19A 4pgfB-2rdyA:
undetectable		 4pgfB-2rdyA:
20.55
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.
2vr5 GLYCOGEN OPERON
PROTEIN GLGX

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 THR A 329
THR A 327
HIS A 470
ASN A 240
 A16  A1722 ( 4.4A)
None
A16  A1722 (-4.0A)
None
 1.34A 4pgfB-2vr5A:
undetectable		 4pgfB-2vr5A:
20.19
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.
2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E

(Escherichia
coli) 		PF01370
(Epimerase) 		4 THR A  81
THR A  82
HIS A 187
ASN A 169
 ADP  A 401 ( 3.7A)
None
ADP  A 401 (-4.1A)
ADP  A 401 (-3.9A)
 1.22A 4pgfB-2x86A:
5.7		 4pgfB-2x86A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 THR A 100
THR A 123
THR A  75
ASN A 312
 None
 1.25A 4pgfB-2xf2A:
4.8		 4pgfB-2xf2A:
19.86
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.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		4 THR A 438
THR A 252
HIS A 471
ASN A 464
 None
None
GOL  A 603 (-3.7A)
None
 1.22A 4pgfB-3b4wA:
3.3		 4pgfB-3b4wA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		4 THR A 103
THR A 133
THR A  76
ASN A 170
 None
None
None
MER  A 301 (-2.6A)
 1.36A 4pgfB-3bfgA:
undetectable		 4pgfB-3bfgA:
20.49
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 THR A  71
THR A  74
THR A 219
HIS A 363
ASN A 409
 ADN  A 500 (-2.8A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
NAD  A 550 (-3.0A)
 0.32A 4pgfB-3ce6A:
55.4		 4pgfB-3ce6A:
54.45
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 THR A 219
THR A 220
THR A 336
ASN A 409
 NAD  A 550 ( 2.8A)
NAD  A 550 (-3.1A)
None
NAD  A 550 (-3.0A)
 1.36A 4pgfB-3ce6A:
55.4		 4pgfB-3ce6A:
54.45
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 THR A 221
THR A 219
THR A 257
ASN A 360
 NAD  A 550 (-3.7A)
NAD  A 550 ( 2.8A)
None
None
 1.31A 4pgfB-3ce6A:
55.4		 4pgfB-3ce6A:
54.45
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 THR A 257
THR A 221
HIS A 363
ASN A 360
 None
NAD  A 550 (-3.7A)
ADN  A 500 ( 3.7A)
None
 1.06A 4pgfB-3ce6A:
55.4		 4pgfB-3ce6A:
54.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e5z PUTATIVE
GLUCONOLACTONASE

(Deinococcus
radiodurans) 		PF08450
(SGL) 		4 THR A 274
THR A 258
THR A 190
ASN A  72
 None
None
None
MG  A 297 ( 4.4A)
 1.24A 4pgfB-3e5zA:
undetectable		 4pgfB-3e5zA:
19.82
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.
3ew2 RHIZAVIDIN

(Rhizobium etli) 		PF01382
(Avidin) 		4 THR A 120
THR A 100
THR A  64
ASN A  92
 None
 1.39A 4pgfB-3ew2A:
undetectable		 4pgfB-3ew2A:
14.69
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.
3fve DIAMINOPIMELATE
EPIMERASE

(Mycobacterium
tuberculosis) 		PF01678
(DAP_epimerase) 		4 THR A 262
THR A 265
THR A 121
HIS A 123
 None
None
None
GOL  A 292 (-4.2A)
 1.17A 4pgfB-3fveA:
undetectable		 4pgfB-3fveA:
20.83
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.
3fvr ACETYL XYLAN
ESTERASE

(Bacillus
pumilus) 		PF05448
(AXE1) 		4 THR A 244
THR A 129
HIS A 133
ASN A 232
 None
 1.35A 4pgfB-3fvrA:
4.5		 4pgfB-3fvrA:
23.64
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 THR A  54
THR A  57
THR A 156
HIS A 300
ASN A 345
 ADN  A 438 (-2.8A)
ADN  A 438 (-4.6A)
NAD  A 439 ( 3.0A)
ADN  A 438 ( 4.0A)
NAD  A 439 (-3.1A)
 0.31A 4pgfB-3g1uA:
31.3		 4pgfB-3g1uA:
70.91
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 THR A 156
THR A 157
THR A 273
ASN A 345
 NAD  A 439 ( 3.0A)
NAD  A 439 (-3.2A)
None
NAD  A 439 (-3.1A)
 1.38A 4pgfB-3g1uA:
31.3		 4pgfB-3g1uA:
70.91
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.
3g87 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Burkholderia
pseudomallei) 		PF00698
(Acyl_transf_1) 		4 THR A  62
THR A  59
HIS A  91
ASN A  70
 None
 1.27A 4pgfB-3g87A:
undetectable		 4pgfB-3g87A:
20.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  64
THR A  67
THR A 200
HIS A 344
ASN A 387
 RAB  A 602 (-2.7A)
RAB  A 602 (-4.5A)
NAD  A 601 ( 2.9A)
RAB  A 602 ( 3.5A)
NAD  A 601 (-3.0A)
 0.31A 4pgfB-3glqA:
58.2		 4pgfB-3glqA:
56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 THR A 200
THR A 201
THR A 317
ASN A 387
 NAD  A 601 ( 2.9A)
NAD  A 601 (-3.1A)
None
NAD  A 601 (-3.0A)
 1.40A 4pgfB-3glqA:
58.2		 4pgfB-3glqA:
56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  54
THR A  57
THR A 156
HIS A 300
ASN A 345
 ADN  A 439 (-2.7A)
ADN  A 439 (-4.7A)
NAD  A 438 (-3.8A)
None
NAD  A 438 (-2.9A)
 0.40A 4pgfB-3h9uA:
62.4		 4pgfB-3h9uA:
71.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 THR A 156
THR A 157
THR A 273
ASN A 345
 NAD  A 438 (-3.8A)
NAD  A 438 (-3.2A)
None
NAD  A 438 (-2.9A)
 1.40A 4pgfB-3h9uA:
62.4		 4pgfB-3h9uA:
71.75
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.
3hn7 UDP-N-ACETYLMURAMATE
-L-ALANINE LIGASE

(Psychrobacter
arcticus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 THR A 117
THR A 118
HIS A 377
ASN A 205
 None
 1.31A 4pgfB-3hn7A:
4.8		 4pgfB-3hn7A:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		4 THR A 460
THR A  23
HIS A  13
ASN A 413
 None
 1.15A 4pgfB-3iuuA:
3.9		 4pgfB-3iuuA:
22.86
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		4 THR W1031
THR W1032
HIS W 989
ASN W 825
 None
 1.37A 4pgfB-3iylW:
3.6		 4pgfB-3iylW:
16.00
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.
3khy PROPIONATE KINASE

(Francisella
tularensis) 		PF00871
(Acetate_kinase) 		4 THR A 370
THR A 320
THR A 218
HIS A 146
 None
 1.21A 4pgfB-3khyA:
2.4		 4pgfB-3khyA:
22.81
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 THR A  57
THR A  60
THR A 193
HIS A 337
ASN A 380
 ADN  A 500 (-2.8A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-3.0A)
 0.32A 4pgfB-3n58A:
29.9		 4pgfB-3n58A:
58.55
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 THR A 193
THR A 194
THR A 310
ASN A 380
 NAD  A 550 ( 3.0A)
NAD  A 550 (-3.0A)
None
NAD  A 550 (-3.0A)
 1.35A 4pgfB-3n58A:
29.9		 4pgfB-3n58A:
58.55
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.
3n5m ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		4 THR A 293
THR A 278
THR A 150
ASN A 316
 None
 1.13A 4pgfB-3n5mA:
undetectable		 4pgfB-3n5mA:
23.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  64
THR A  67
THR A 206
HIS A 350
ASN A 397
 ADE  A 506 (-2.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
NAD  A 501 (-3.0A)
 0.32A 4pgfB-3oneA:
54.7		 4pgfB-3oneA:
55.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		4 THR A 141
THR A 143
THR A  97
ASN A  45
 None
 1.36A 4pgfB-3pl2A:
5.0		 4pgfB-3pl2A:
23.68
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.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		4 THR A  88
THR A  91
HIS A 263
ASN A 161
 None
None
ZN  A   2 ( 3.3A)
None
 1.14A 4pgfB-3q6vA:
undetectable		 4pgfB-3q6vA:
20.19
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.
3qef BETA-XYLOSIDASE/ALPH
A-L-ARABINFURANOSIDA
SE, GLY43N

(Cellvibrio
japonicus) 		PF04616
(Glyco_hydro_43) 		4 THR A 214
THR A 263
HIS A 282
ASN A 257
 AHR  A 337 (-4.7A)
None
None
None
 1.30A 4pgfB-3qefA:
undetectable		 4pgfB-3qefA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r31 BETAINE ALDEHYDE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF00171
(Aldedh) 		4 THR A 443
THR A 256
HIS A 477
ASN A 470
 None
 1.03A 4pgfB-3r31A:
2.5		 4pgfB-3r31A:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slc ACETATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		4 THR A 385
THR A 331
THR A 228
HIS A 154
 None
 1.29A 4pgfB-3slcA:
undetectable		 4pgfB-3slcA:
23.78
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.
3t8j PURINE NUCLEOSIDASE,
(IUNH-1)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		4 THR A 241
THR A 242
THR A  10
ASN A 164
 None
None
None
NA  A 401 ( 4.7A)
 1.33A 4pgfB-3t8jA:
7.8		 4pgfB-3t8jA:
22.33
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.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		4 THR A 451
THR A 449
HIS A  80
ASN A  74
 None
 1.30A 4pgfB-4ccdA:
undetectable		 4pgfB-4ccdA:
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.
4dpp DIHYDRODIPICOLINATE
SYNTHASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00701
(DHDPS) 		4 THR A  60
THR A 152
HIS A 165
ASN A 215
 None
 1.39A 4pgfB-4dppA:
undetectable		 4pgfB-4dppA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN

(Hahella
chejuensis) 		PF02011
(Glyco_hydro_48) 		4 THR A 217
THR A 219
THR A  81
HIS A  64
 None
None
ACT  A 812 ( 3.9A)
CBI  A 802 (-4.4A)
 1.32A 4pgfB-4fusA:
undetectable		 4pgfB-4fusA:
21.10
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.
4fwm PROPIONATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		4 THR A 379
THR A 324
THR A 221
HIS A 147
 None
 1.19A 4pgfB-4fwmA:
2.8		 4pgfB-4fwmA:
20.69
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.
4ijr D-ARABINOSE
DEHYDROGENASE
[NAD(P)+] HEAVY
CHAIN

(Saccharomyces
cerevisiae) 		PF00248
(Aldo_ket_red) 		4 THR A  50
THR A  73
THR A  98
HIS A  64
 None
 1.40A 4pgfB-4ijrA:
undetectable		 4pgfB-4ijrA:
24.38
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.
4lan URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Cordyceps
militaris) 		PF04909
(Amidohydro_2) 		4 THR A  13
THR A 322
THR A  86
HIS A  82
 None
 1.19A 4pgfB-4lanA:
undetectable		 4pgfB-4lanA:
22.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  60
THR A  63
THR A 198
HIS A 342
ASN A 385
 ADN  A 501 (-2.8A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
NAD  A 503 (-3.1A)
 0.26A 4pgfB-4lvcA:
57.4		 4pgfB-4lvcA:
57.47
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 THR A 198
THR A 199
THR A 315
ASN A 385
 NAD  A 503 ( 2.9A)
NAD  A 503 (-2.9A)
None
NAD  A 503 (-3.1A)
 1.38A 4pgfB-4lvcA:
57.4		 4pgfB-4lvcA:
57.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lvu OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Burkholderia
thailandensis) 		PF13561
(adh_short_C2) 		4 THR A 189
THR A 205
THR A  35
HIS A 140
 None
 1.33A 4pgfB-4lvuA:
9.8		 4pgfB-4lvuA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m1r CELLULASE 5

(soil metagenome) 		PF00150
(Cellulase) 		4 THR A 237
THR A 234
THR A 282
ASN A 253
 None
 1.25A 4pgfB-4m1rA:
undetectable		 4pgfB-4m1rA:
20.62
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.
4mso SERINE
HYDROXYMETHYLTRANSFE
RASE

(Burkholderia
cenocepacia) 		PF00464
(SHMT) 		4 THR A 227
THR A 226
HIS A 315
ASN A  38
 PO4  A 501 (-4.1A)
None
None
None
 1.41A 4pgfB-4msoA:
3.6		 4pgfB-4msoA:
23.83
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.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 THR A 325
THR A 327
THR A 264
ASN A 147
 None
 1.40A 4pgfB-4nurA:
undetectable		 4pgfB-4nurA:
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.
4p0d TRYPSIN-RESISTANT
SURFACE T6 PROTEIN

(Streptococcus
pyogenes) 		PF16569
(GramPos_pilinBB) 		4 THR A  53
THR A 107
THR A  99
ASN A 318
 None
 1.33A 4pgfB-4p0dA:
undetectable		 4pgfB-4p0dA:
21.83
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.
4pd3 NONMUSCLE MYOSIN
HEAVY CHAIN B,
ALPHA-ACTININ A
CHIMERA PROTEIN

(Dictyostelium
discoideum;
Homo sapiens) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		4 THR A 185
THR A 188
THR A 263
ASN A 230
 None
 1.02A 4pgfB-4pd3A:
undetectable		 4pgfB-4pd3A:
17.40
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.
4rxe FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
brucei) 		PF00348
(polyprenyl_synt) 		4 THR A 167
THR A 168
THR A 140
HIS A 141
 None
 1.35A 4pgfB-4rxeA:
undetectable		 4pgfB-4rxeA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		4 THR A1798
THR A1797
THR A1979
HIS A2818
 None
TYI  A2075 ( 4.8A)
None
None
 1.29A 4pgfB-4tvcA:
undetectable		 4pgfB-4tvcA:
16.79
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		4 THR A2571
THR A2570
THR A2566
ASN A2309
 None
 1.26A 4pgfB-4tvcA:
undetectable		 4pgfB-4tvcA:
16.79
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.
4u6h PROTEIN L1

(Vaccinia virus) 		PF02442
(L1R_F9L) 		4 THR E 167
THR E 168
THR E  52
ASN E  12
 None
 1.19A 4pgfB-4u6hE:
undetectable		 4pgfB-4u6hE:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4unf ENDONUCLEASE III-1

(Deinococcus
radiodurans) 		PF00730
(HhH-GPD) 		4 THR A  56
THR A  44
HIS A 206
ASN A 157
 None
 1.25A 4pgfB-4unfA:
undetectable		 4pgfB-4unfA:
20.18
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.
4zxz LEVOGLUCOSAN KINASE

(Lipomyces
starkeyi) 		PF03702
(AnmK) 		4 THR A 116
THR A 133
THR A 365
HIS A 167
 None
 1.41A 4pgfB-4zxzA:
undetectable		 4pgfB-4zxzA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
brucei) 		PF00348
(polyprenyl_synt) 		4 THR B 167
THR B 168
THR B 140
HIS B 141
 None
 1.42A 4pgfB-5ahuB:
undetectable		 4pgfB-5ahuB:
19.08
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.
5cef ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 THR A 159
THR A 158
HIS A 132
ASN A 354
 None
 0.94A 4pgfB-5cefA:
3.0		 4pgfB-5cefA:
21.51
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.
5d8g TRYPTOPHANASE

(Escherichia
coli) 		PF01212
(Beta_elim_lyase) 		4 THR A 139
THR A 138
HIS A 358
ASN A 133
 None
 1.41A 4pgfB-5d8gA:
2.8		 4pgfB-5d8gA:
22.42
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.
5dz6 POLYKETIDE
BIOSYNTHESIS MALONYL
COA-ACYL CARRIER
PROTEIN TRANSACYLASE
PKSC

(Bacillus
subtilis) 		PF00698
(Acyl_transf_1) 		4 THR A  57
THR A  54
HIS A  86
ASN A  65
 CL  A 305 ( 4.0A)
CL  A 305 (-4.2A)
GOL  A 301 (-4.7A)
None
 1.30A 4pgfB-5dz6A:
undetectable		 4pgfB-5dz6A:
20.54
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.
5dz7 POLYKETIDE
BIOSYNTHESIS PROTEIN
PKSE

(Bacillus
subtilis) 		PF00698
(Acyl_transf_1) 		4 THR A  57
THR A  54
HIS A  86
ASN A  65
 None
 1.31A 4pgfB-5dz7A:
undetectable		 4pgfB-5dz7A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jmu PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

([Eubacterium]
rectale) 		PF01522
(Polysacc_deac_1) 		4 THR A 295
THR A 319
HIS A 491
ASN A 421
 None
 1.05A 4pgfB-5jmuA:
undetectable		 4pgfB-5jmuA:
20.55
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.
5joz NON-REDUCING END
ALPHA-L-ARABINOFURAN
OSIDASE BOGH43B

(Bacteroides
ovatus) 		PF04616
(Glyco_hydro_43) 		4 THR A 426
THR A 439
HIS A 420
ASN A 510
 None
 1.42A 4pgfB-5jozA:
undetectable		 4pgfB-5jozA:
21.09
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.
5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		4 THR B  39
THR B  22
THR B 280
ASN B  82
 None
 1.37A 4pgfB-5l9wB:
3.7		 4pgfB-5l9wB:
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.
5ngk GLUCOSYLCERAMIDASE

(Bacteroides
thetaiotaomicron) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 THR A  92
THR A  89
THR A 340
HIS A 415
 None
 1.35A 4pgfB-5ngkA:
undetectable		 4pgfB-5ngkA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 THR A 281
THR A 283
THR A 364
HIS A 367
 None
 1.08A 4pgfB-5nz7A:
undetectable		 4pgfB-5nz7A:
18.05
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.
5oei UNCHARACTERIZED
PROTEIN FAMILY
UPF0065:TAT PATHWAY
SIGNAL

(Rhodopseudomonas
palustris) 		no annotation 4 THR A  53
THR A  54
THR A 110
ASN A 137
 None
OOG  A 401 (-3.6A)
None
OOG  A 401 ( 4.8A)
 1.22A 4pgfB-5oeiA:
undetectable		 4pgfB-5oeiA:
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.
5swc CARBONIC ANHYDRASE

(Synechocystis
sp. PCC 6803) 		PF00484
(Pro_CA) 		4 THR A 127
THR A 130
HIS A  98
ASN A  62
 None
None
ZN  A 301 (-3.3A)
None
 1.30A 4pgfB-5swcA:
undetectable		 4pgfB-5swcA:
19.04
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.
5tf2 PROLACTIN REGULATORY
ELEMENT-BINDING
PROTEIN

(Homo sapiens) 		PF00400
(WD40) 		4 THR A 283
THR A 266
THR A 229
HIS A 232
 None
 1.37A 4pgfB-5tf2A:
undetectable		 4pgfB-5tf2A:
22.22
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.
5ukh UNCHARACTERIZED
PROTEIN

(Streptococcus
intermedius) 		no annotation 4 THR A 441
THR A 440
THR A 408
HIS A 412
 None
 1.32A 4pgfB-5ukhA:
undetectable		 4pgfB-5ukhA:
21.11
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) 		4 THR A  55
THR A  58
THR A 212
ASN A 403
 SAH  A 502 (-2.7A)
SAH  A 502 (-4.2A)
NAD  A 501 ( 4.1A)
NAD  A 501 (-2.9A)
 0.41A 4pgfB-5utuA:
52.5		 4pgfB-5utuA:
47.90
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) 		4 THR A  61
THR A  64
THR A 198
ASN A 388
 ADN  A 502 (-2.9A)
ADN  A 502 (-4.4A)
NAD  A 501 ( 2.9A)
NAD  A 501 (-3.1A)
 0.30A 4pgfB-5v96A:
56.3		 4pgfB-5v96A:
56.31
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.
5xeo CYSTEINE SYNTHASE

(Fusobacterium
nucleatum) 		no annotation 4 THR A 270
THR A 267
THR A 156
HIS A 152
 None
 1.38A 4pgfB-5xeoA:
2.6		 4pgfB-5xeoA:
14.62
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 4 THR A 450
THR A 451
THR A 425
HIS A 410
 None
 1.42A 4pgfB-5yp3A:
undetectable		 4pgfB-5yp3A:
11.75
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.
6apg DISD PROTEIN

(Sorangium
cellulosum) 		no annotation 4 THR A  57
THR A  54
HIS A  85
ASN A  65
 None
None
MLI  A 301 (-4.7A)
None
 1.28A 4pgfB-6apgA:
undetectable		 4pgfB-6apgA:
11.45
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 THR A  60
THR A  63
THR A 162
HIS A 306
ASN A 351
 ADN  A 501 (-2.8A)
ADN  A 501 (-4.5A)
NAD  A 500 ( 2.9A)
ADN  A 501 ( 3.7A)
NAD  A 500 (-3.1A)
 0.28A 4pgfB-6aphA:
62.5		 4pgfB-6aphA:
66.82
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 THR A 162
THR A 163
THR A 279
ASN A 351
 NAD  A 500 ( 2.9A)
NAD  A 500 (-3.1A)
None
NAD  A 500 (-3.1A)
 1.40A 4pgfB-6aphA:
62.5		 4pgfB-6aphA:
66.82
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 THR A 164
THR A 163
THR A 233
ASN A 303
 NAD  A 500 (-3.7A)
NAD  A 500 (-3.1A)
None
None
 1.42A 4pgfB-6aphA:
62.5		 4pgfB-6aphA:
66.82
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.
6b8d ELONGATION FACTOR G

(Haemophilus
influenzae) 		no annotation 4 THR A   5
THR A   4
HIS A 365
ASN A  85
 None
 1.18A 4pgfB-6b8dA:
2.3		 4pgfB-6b8dA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 5 THR B  63
THR B  66
THR B 165
HIS B 323
ASN B 375
 ADN  B 502 (-2.8A)
ADN  B 502 (-4.6A)
NAD  B 501 ( 2.8A)
ZN  B 505 (-3.2A)
NAD  B 501 (-3.0A)
 0.31A 4pgfB-6f3mB:
56.2		 4pgfB-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 4 THR B 165
THR B 166
THR B 296
ASN B 375
 NAD  B 501 ( 2.8A)
NAD  B 501 (-3.1A)
None
NAD  B 501 (-3.0A)
 1.38A 4pgfB-6f3mB:
56.2		 4pgfB-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 5 THR A  58
THR A  61
THR A 160
HIS A 304
ASN A 349
 ADN  A 501 (-2.8A)
ADN  A 501 (-4.6A)
NAD  A 502 ( 2.8A)
ADN  A 501 ( 3.6A)
NAD  A 502 (-3.1A)
 0.28A 4pgfB-6gbnA:
62.6		 4pgfB-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 4 THR A 160
THR A 161
THR A 277
ASN A 349
 NAD  A 502 ( 2.8A)
NAD  A 502 (-3.1A)
None
NAD  A 502 (-3.1A)
 1.39A 4pgfB-6gbnA:
62.6		 4pgfB-6gbnA:
undetectable