SIMILAR PATTERNS OF AMINO ACIDS FOR 4PFJ_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.
1ac5 KEX1(DELTA)P

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		5 HIS A 150
ASP A 141
LEU A  49
LEU A  36
PHE A 185
 None
 1.31A 4pfjB-1ac5A:
undetectable		 4pfjB-1ac5A:
20.45
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.
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
 1.39A 4pfjB-1hkkA:
undetectable		 4pfjB-1hkkA:
22.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 HIS A  54
THR A  56
ASP A 134
GLU A 200
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 (-3.0A)
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
 0.64A 4pfjB-1v8bA:
55.2		 4pfjB-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
 1.42A 4pfjB-1wb0A:
undetectable		 4pfjB-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.
2a81 CARB

(Pectobacterium
carotovorum) 		PF00378
(ECH_1) 		5 HIS A 149
THR A 153
LEU A 114
LEU A 145
GLY A 146
 None
 1.43A 4pfjB-2a81A:
undetectable		 4pfjB-2a81A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		5 HIS A 233
THR A 232
LEU A 432
LEU A 250
PHE A 245
 None
 1.34A 4pfjB-2fj0A:
undetectable		 4pfjB-2fj0A:
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 THR A  85
GLU A  58
LEU A 145
LEU A  82
GLY A  50
 None
 1.49A 4pfjB-2isqA:
3.5		 4pfjB-2isqA:
22.84
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.
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
 1.31A 4pfjB-2iy4A:
undetectable		 4pfjB-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.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8) 		5 THR B2182
ASP B2179
LEU B2063
LEU B2059
GLY B2058
 None
None
None
None
ATP  B 103 ( 4.2A)
 1.46A 4pfjB-2nvuB:
5.9		 4pfjB-2nvuB:
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.
2rd7 COMPLEMENT COMPONENT
C8 ALPHA CHAIN

(Homo sapiens) 		PF01823
(MACPF) 		5 LEU A 129
GLY A 308
HIS A 310
MET A 431
PHE A 429
 None
 1.42A 4pfjB-2rd7A:
undetectable		 4pfjB-2rd7A:
22.82
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN

(Azospirillum
brasilense) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLU G 201
ASP G 275
LEU G 195
LEU G 186
GLY G 183
 None
 1.48A 4pfjB-2vdcG:
3.8		 4pfjB-2vdcG:
23.44
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.
2vo9 L-ALANYL-D-GLUTAMATE
PEPTIDASE

(Listeria phage
A500) 		PF13539
(Peptidase_M15_4) 		5 THR A  25
GLU A 135
LEU A  88
GLY A  48
HIS A  80
 None
None
None
None
ZN  A 501 ( 3.2A)
 1.26A 4pfjB-2vo9A:
undetectable		 4pfjB-2vo9A:
16.86
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.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00657
(Lipase_GDSL) 		5 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.26A 4pfjB-2wabA:
5.5		 4pfjB-2wabA:
21.52
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.
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 4pfjB-2xsrA:
undetectable		 4pfjB-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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 THR A 531
ASP A 445
LEU A 533
GLY A 509
PHE A 449
 None
 1.29A 4pfjB-3azqA:
3.3		 4pfjB-3azqA:
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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 THR A 271
ASP A 300
LEU A  60
GLY A 262
HIS A 265
 None
 1.17A 4pfjB-3b1rA:
5.0		 4pfjB-3b1rA:
22.79
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)
 1.32A 4pfjB-3ce6A:
56.0		 4pfjB-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) 		11 HIS A  69
THR A  71
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 (-2.8A)
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)
 0.53A 4pfjB-3ce6A:
56.0		 4pfjB-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
THR A  71
GLU A 218
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.59A 4pfjB-3ce6A:
56.0		 4pfjB-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) 		10 HIS A  52
THR A  54
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 (-2.8A)
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
 0.37A 4pfjB-3g1uA:
60.5		 4pfjB-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) 		5 HIS A  52
THR A  57
ASP A 130
LEU A 343
MET A 357
 ADN  A 438 (-4.0A)
ADN  A 438 (-4.6A)
ADN  A 438 (-4.1A)
NAD  A 439 ( 4.0A)
ADN  A 438 (-3.7A)
 1.47A 4pfjB-3g1uA:
60.5		 4pfjB-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) 		5 GLU A 199
LYS A 229
ASP A 233
LEU A 385
HIS A 394
 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)
 1.16A 4pfjB-3glqA:
58.7		 4pfjB-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) 		9 HIS A  62
THR A  64
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 (-2.7A)
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
 0.65A 4pfjB-3glqA:
58.7		 4pfjB-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) 		11 HIS A  62
THR A  64
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 (-2.7A)
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
 0.48A 4pfjB-3glqA:
58.7		 4pfjB-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) 		12 HIS A  52
THR A  54
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)
ADN  A 439 (-2.7A)
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
 0.61A 4pfjB-3h9uA:
62.9		 4pfjB-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.
3k70 EXODEOXYRIBONUCLEASE
V BETA CHAIN

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		5 GLU B1020
ASP B1067
LEU B 924
GLY B 952
HIS B 956
 None
CA  B4000 (-3.1A)
None
None
CA  B4000 (-4.0A)
 1.47A 4pfjB-3k70B:
undetectable		 4pfjB-3k70B:
17.24
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.
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
 1.44A 4pfjB-3k8kA:
undetectable		 4pfjB-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
 1.33A 4pfjB-3k9cA:
4.9		 4pfjB-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.
3lm4 CATECHOL
2,3-DIOXYGENASE

(Rhodococcus
jostii) 		PF00903
(Glyoxalase) 		5 HIS A 249
THR A 252
LEU A 303
HIS A 217
PHE A 270
 HPX  A 406 (-3.4A)
HPX  A 406 ( 3.8A)
None
FE  A 400 ( 3.4A)
None
 1.42A 4pfjB-3lm4A:
undetectable		 4pfjB-3lm4A:
22.17
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)
 1.50A 4pfjB-3n58A:
58.5		 4pfjB-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) 		12 HIS A  55
THR A  57
ASP A 132
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 (-2.8A)
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 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.56A 4pfjB-3n58A:
58.5		 4pfjB-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) 		12 HIS A  62
THR A  64
ASP A 139
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)
ADE  A 506 (-2.8A)
None
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)
 0.63A 4pfjB-3oneA:
55.4		 4pfjB-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.
3ro8 ENDO-1,4-BETA-XYLANA
SE

(Paenibacillus
sp. JDR-2) 		PF00331
(Glyco_hydro_10) 		5 HIS A 118
THR A 121
LEU A  93
GLY A  57
PHE A  61
 None
 1.35A 4pfjB-3ro8A:
undetectable		 4pfjB-3ro8A:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vzb SPHINGOSINE KINASE 1

(Homo sapiens) 		PF00781
(DAGK_cat) 		5 ASP A 341
LEU A 163
LEU A 155
GLY A 352
MET A 285
 None
 1.40A 4pfjB-3vzbA:
4.1		 4pfjB-3vzbA:
22.20
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.
3wqb OPEN READING FRAME 2

(Aeromonas
sobria) 		no annotation 5 THR B 102
LEU B  96
LEU B  84
GLY B  83
HIS B  82
 None
 1.30A 4pfjB-3wqbB:
undetectable		 4pfjB-3wqbB:
16.37
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.
3wz2 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09754
(PAC2) 		5 HIS A  31
ASP A  83
LEU A 219
LEU A  28
GLY A  27
 None
 1.44A 4pfjB-3wz2A:
undetectable		 4pfjB-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
 1.04A 4pfjB-4cw4A:
undetectable		 4pfjB-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.
4hpz DTALE2

(Xanthomonas) 		PF03377
(TAL_effector) 		5 THR A 283
ASP A 292
LEU A 255
LEU A 253
HIS A 275
 None
 1.30A 4pfjB-4hpzA:
undetectable		 4pfjB-4hpzA:
21.86
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.
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
 1.28A 4pfjB-4knyA:
6.5		 4pfjB-4knyA:
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.
4kqk NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Salmonella
enterica) 		PF02277
(DBI_PRT) 		5 THR A 247
ASP A 230
LEU A   4
LEU A 152
PHE A 190
 None
 1.29A 4pfjB-4kqkA:
2.8		 4pfjB-4kqkA:
21.44
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) 		12 HIS A  58
THR A  60
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 (-2.8A)
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)
 0.61A 4pfjB-4lvcA:
57.7		 4pfjB-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
 1.29A 4pfjB-4mo9A:
3.1		 4pfjB-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.
4q9t NUCLEOPORIN NUP133

(Vanderwaltozyma
polyspora) 		PF08801
(Nucleoporin_N) 		5 THR A  79
ASP A 104
LEU A  84
LEU A  81
GLY A 490
 None
 1.28A 4pfjB-4q9tA:
undetectable		 4pfjB-4q9tA:
19.60
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.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		5 HIS A  61
GLU A  65
ASP A  64
GLY A  60
PHE A  67
 None
 1.49A 4pfjB-4yfmA:
undetectable		 4pfjB-4yfmA:
20.28
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.
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
 1.28A 4pfjB-5ep0A:
6.5		 4pfjB-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
 1.35A 4pfjB-5ep1A:
undetectable		 4pfjB-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
 1.44A 4pfjB-5fr8A:
undetectable		 4pfjB-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.
5ijw GLUTAMATE RACEMASE

(Mycolicibacterium
smegmatis) 		PF01177
(Asp_Glu_race) 		5 THR A 262
ASP A  26
LEU A  18
LEU A 259
GLY A 260
 None
 1.44A 4pfjB-5ijwA:
undetectable		 4pfjB-5ijwA:
22.67
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.
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
 1.20A 4pfjB-5jiaA:
undetectable		 4pfjB-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
 1.25A 4pfjB-5jiuA:
undetectable		 4pfjB-5jiuA:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 HIS A  53
THR A  55
ASP A 137
GLU A 211
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 (-2.7A)
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 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.63A 4pfjB-5utuA:
53.0		 4pfjB-5utuA:
47.90
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.
5uz5 PRE-MRNA-PROCESSING
FACTOR 39
U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN
COMPONENT PRP42

(Saccharomyces
cerevisiae) 		no annotation 5 THR D 396
LEU D 444
LEU D 415
GLY D 414
HIS E 519
 None
 1.31A 4pfjB-5uz5D:
undetectable		 4pfjB-5uz5D:
21.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 HIS A  59
THR A  61
ASP A 136
GLU A 197
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 (-2.9A)
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 ( 4.7A)
ADN  A 502 (-3.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.62A 4pfjB-5v96A:
56.9		 4pfjB-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) 		7 ASP A 131
LYS A 186
ASP A 190
GLY A 352
HIS A 353
MET A 358
PHE A 362
 None
None
NAD  A 501 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 1.10A 4pfjB-5w4bA:
55.6		 4pfjB-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 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
 0.92A 4pfjB-5w4bA:
55.6		 4pfjB-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 HIS A  55
THR A  57
GLU A 156
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
 0.85A 4pfjB-5w4bA:
55.6		 4pfjB-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)
 1.03A 4pfjB-5w4bA:
55.6		 4pfjB-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 THR A  57
ASP A 131
LYS A 186
ASP A 190
HIS A 353
MET A 358
PHE A 362
 9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 1.10A 4pfjB-5w4bA:
55.6		 4pfjB-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 THR A  57
LYS A 186
ASP A 190
LEU A 347
HIS A 353
PHE A 362
 9W4  A 502 (-2.9A)
None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
NAD  A 501 (-4.5A)
None
 1.50A 4pfjB-5w4bA:
55.6		 4pfjB-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.
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
 1.34A 4pfjB-5yknA:
undetectable		 4pfjB-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) 		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)
 1.30A 4pfjB-6aphA:
63.0		 4pfjB-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) 		11 HIS A  58
THR A  60
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 (-2.8A)
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
 0.50A 4pfjB-6aphA:
63.0		 4pfjB-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
THR A  60
GLU A 161
LYS A 191
ASP A 195
LEU A 352
GLY A 357
HIS A 358
MET A 363
PHE A 367
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.5A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.59A 4pfjB-6aphA:
63.0		 4pfjB-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.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 5 THR A 246
ASP A 229
LEU A   4
LEU A 151
PHE A 189
 None
 1.28A 4pfjB-6b5fA:
2.0		 4pfjB-6b5fA:
21.20
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.
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
 1.24A 4pfjB-6exnM:
undetectable		 4pfjB-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 12 HIS B  61
THR B  63
ASP B 139
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 (-2.8A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
NAD  B 501 ( 3.9A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.63A 4pfjB-6f3mB:
56.6		 4pfjB-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 12 HIS A  56
THR A  58
ASP A 134
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 (-2.8A)
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 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.60A 4pfjB-6gbnA:
63.0		 4pfjB-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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		4 GLU A 559
THR A 558
HIS A 407
ASN A 257
 None
 1.27A 4pfjB-1b25A:
undetectable		 4pfjB-1b25A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fvf SEC1

(Doryteuthis
pealeii) 		PF00995
(Sec1) 		4 GLU A 138
GLN A 247
THR A 573
HIS A 574
 None
 1.34A 4pfjB-1fvfA:
3.6		 4pfjB-1fvfA:
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.
1gae D-GLYCERALDEHYDE-3-P
HOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 GLU O 286
THR O 289
THR O 174
HIS O 176
 None
 1.26A 4pfjB-1gaeO:
5.2		 4pfjB-1gaeO:
21.17
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 GLU A 422
THR A 421
GLN A 349
ASN A 221
 None
 1.26A 4pfjB-1gpeA:
3.1		 4pfjB-1gpeA:
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.
1gwi CYTOCHROME P450
154C1

(Streptomyces
coelicolor) 		PF00067
(p450) 		4 GLU A 245
THR A 246
GLN A 396
ASN A 390
 None
HEM  A1414 (-3.7A)
None
None
 1.30A 4pfjB-1gwiA:
undetectable		 4pfjB-1gwiA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 THR A 475
GLN A 469
HIS A 208
ASN A 809
 None
 1.05A 4pfjB-1hwwA:
undetectable		 4pfjB-1hwwA:
17.42
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.
1jqg CARBOXYPEPTIDASE A

(Helicoverpa
armigera) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 GLU A 292
THR A 293
THR A 268
HIS A 196
 None
None
None
ZN  A 413 (-3.2A)
 1.30A 4pfjB-1jqgA:
undetectable		 4pfjB-1jqgA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1krh BENZOATE
1,2-DIOXYGENASE
REDUCTASE

(Acinetobacter
sp.) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 THR A 169
GLN A 129
THR A 198
HIS A 108
 None
 1.28A 4pfjB-1krhA:
3.7		 4pfjB-1krhA:
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.
1kwm PROCARBOXYPEPTIDASE
B

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 GLU A 292
THR A 293
THR A 268
HIS A 196
 None
None
None
ZN  A 400 (-3.3A)
 1.37A 4pfjB-1kwmA:
2.2		 4pfjB-1kwmA:
20.93
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.
1m2w MANNITOL
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 GLU A 267
THR A 285
HIS A  41
ASN A 195
 None
 1.34A 4pfjB-1m2wA:
4.7		 4pfjB-1m2wA:
22.26
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 GLU A1065
THR A1066
THR A1044
HIS A 579
 None
 0.95A 4pfjB-1n5xA:
undetectable		 4pfjB-1n5xA:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rrm LACTALDEHYDE
REDUCTASE

(Escherichia
coli) 		PF00465
(Fe-ADH) 		4 GLU A 147
THR A 149
GLN A 101
THR A 199
 None
PGO  A 390 ( 4.3A)
None
None
 1.03A 4pfjB-1rrmA:
3.7		 4pfjB-1rrmA:
23.75
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.
1s7g NAD-DEPENDENT
DEACETYLASE 2

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		4 GLU A 176
THR A 173
THR A  22
HIS A 106
 None
SO4  A 401 (-4.6A)
None
None
 1.26A 4pfjB-1s7gA:
4.4		 4pfjB-1s7gA:
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.
1u2v ACTIN-RELATED
PROTEIN 3

(Bos taurus) 		PF00022
(Actin) 		4 GLN A 336
THR A 154
HIS A 370
ASN A 318
 None
 1.39A 4pfjB-1u2vA:
undetectable		 4pfjB-1u2vA:
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.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 GLN A  78
THR A 104
HIS A 192
ASN A 137
 None
 1.32A 4pfjB-1up4A:
6.0		 4pfjB-1up4A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vl2 ARGININOSUCCINATE
SYNTHASE

(Thermotoga
maritima) 		PF00764
(Arginosuc_synth) 		4 GLU A 296
THR A 299
GLN A 340
HIS A 224
 None
 1.28A 4pfjB-1vl2A:
3.5		 4pfjB-1vl2A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		4 GLN A 488
THR A 114
HIS A 396
ASN A 260
 MDO  A 203 ( 3.9A)
None
None
DTT  A1717 (-2.8A)
 1.26A 4pfjB-1w27A:
undetectable		 4pfjB-1w27A:
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.
2a3k PROTEIN TYROSINE
PHOSPHATASE,
NON-RECEPTOR TYPE 7,
ISOFORM 1

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 GLU A 338
THR A 336
GLN A 259
THR A 304
 None
 1.38A 4pfjB-2a3kA:
undetectable		 4pfjB-2a3kA:
19.68
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		4 GLU A1069
THR A1082
HIS A1077
ASN A 107
 None
 1.33A 4pfjB-2b5mA:
undetectable		 4pfjB-2b5mA:
16.57
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.
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis) 		PF01182
(Glucosamine_iso) 		4 GLU A 159
THR A 161
THR A 146
HIS A 153
 None
 1.03A 4pfjB-2bkxA:
undetectable		 4pfjB-2bkxA:
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.
2btw ALR0975 PROTEIN

(Nostoc sp. PCC
7120) 		PF05023
(Phytochelatin) 		4 GLU A  88
THR A  89
THR A 109
ASN A  85
 None
 1.25A 4pfjB-2btwA:
undetectable		 4pfjB-2btwA:
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.
2c1c CARBOXYPEPTIDASE B

(Helicoverpa zea) 		PF00246
(Peptidase_M14) 		4 GLU A 292
THR A 293
THR A 268
HIS A 196
 None
None
None
ZN  A 625 (-3.3A)
 1.37A 4pfjB-2c1cA:
undetectable		 4pfjB-2c1cA:
21.63
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.
2d4g HYPOTHETICAL PROTEIN
BSU11850

(Bacillus
subtilis) 		PF13563
(2_5_RNA_ligase2) 		4 GLU A  97
GLN A 108
HIS A 115
ASN A 111
 None
 1.31A 4pfjB-2d4gA:
undetectable		 4pfjB-2d4gA:
17.91
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.
2h2w HOMOSERINE
O-SUCCINYLTRANSFERAS
E

(Thermotoga
maritima) 		PF04204
(HTS) 		4 GLU A 236
THR A 106
THR A  80
HIS A  84
 None
 1.37A 4pfjB-2h2wA:
3.7		 4pfjB-2h2wA:
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.
2ixb ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Elizabethkingia
meningoseptica) 		PF01408
(GFO_IDH_MocA) 		4 GLU A 223
THR A 284
THR A 294
HIS A 174
 None
 1.27A 4pfjB-2ixbA:
4.3		 4pfjB-2ixbA:
24.51
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.
2jgn ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00271
(Helicase_C) 		4 GLU A 463
THR A 443
HIS A 511
ASN A 435
 None
 1.34A 4pfjB-2jgnA:
undetectable		 4pfjB-2jgnA:
19.68
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.
2jmr FIMF

(Escherichia
coli) 		PF00419
(Fimbrial) 		4 THR A 140
THR A 135
HIS A  75
ASN A  84
 None
 1.35A 4pfjB-2jmrA:
undetectable		 4pfjB-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.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 GLU A 583
THR A 557
THR A 594
HIS A 643
 None
 1.36A 4pfjB-2okxA:
undetectable		 4pfjB-2okxA:
18.31
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.
2qk7 GAMMA-HEMOLYSIN
COMPONENT A

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		4 GLU A 147
THR A 144
GLN A  77
THR A 211
 None
 1.24A 4pfjB-2qk7A:
undetectable		 4pfjB-2qk7A:
21.29
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.
2r37 GLUTATHIONE
PEROXIDASE 3

(Homo sapiens) 		PF00255
(GSHPx) 		4 GLN A 103
THR A 159
HIS A 199
ASN A  68
 None
 1.31A 4pfjB-2r37A:
undetectable		 4pfjB-2r37A:
16.67
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.
2ree CURA

(Moorea
producens) 		PF00583
(Acetyltransf_1) 		4 GLN A 271
THR A 355
HIS A 389
ASN A 320
 None
None
None
GOL  A 601 ( 4.6A)
 1.30A 4pfjB-2reeA:
undetectable		 4pfjB-2reeA:
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.
2rql PROBABLE SIGMA-54
MODULATION PROTEIN

(Escherichia
coli) 		PF02482
(Ribosomal_S30AE) 		4 GLU A  66
THR A  49
THR A  53
HIS A  62
 None
 1.26A 4pfjB-2rqlA:
undetectable		 4pfjB-2rqlA:
13.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3agr NUCLEOSIDE
TRIPHOSPHATE
HYDROLASE

(Neospora
caninum) 		PF01150
(GDA1_CD39) 		4 GLU A 521
GLN A 516
THR A 476
ASN A 519
 None
 1.28A 4pfjB-3agrA:
undetectable		 4pfjB-3agrA:
20.67
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases) 		4 GLU A 388
THR A 379
HIS A 350
ASN A  45
 None
 1.27A 4pfjB-3ayxA:
undetectable		 4pfjB-3ayxA:
23.03
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  74
GLN A  99
THR A 219
HIS A 363
ASN A 409
 ADN  A 500 (-4.5A)
None
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
NAD  A 550 (-3.0A)
 0.24A 4pfjB-3ce6A:
56.0		 4pfjB-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.
3csk PROBABLE
DIPEPTIDYL-PEPTIDASE
3

(Saccharomyces
cerevisiae) 		PF03571
(Peptidase_M49) 		4 GLU A 325
THR A 326
HIS A 293
ASN A 320
 None
 1.09A 4pfjB-3cskA:
undetectable		 4pfjB-3cskA:
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.
3eat PYOVERDINE
BIOSYNTHESIS PROTEIN
PVCB

(Pseudomonas
aeruginosa) 		PF02668
(TauD) 		4 GLU X 280
GLN X  44
THR X 256
HIS X  54
 None
 1.23A 4pfjB-3eatX:
undetectable		 4pfjB-3eatX:
19.12
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.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		4 THR A  16
GLN A  43
THR A 210
HIS A 213
 None
 1.25A 4pfjB-3eshA:
undetectable		 4pfjB-3eshA:
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.
3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1

(Escherichia
coli;
Gallus gallus) 		PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8) 		4 THR A1254
GLN A1217
THR A1090
ASN A1079
 A3P  A 673 ( 4.8A)
None
None
None
 1.35A 4pfjB-3f5fA:
undetectable		 4pfjB-3f5fA:
21.08
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.
3fgt PUTATIVE
PHOSPHOLIPASE B-LIKE
2 40 KDA FORM

(Mus musculus) 		PF04916
(Phospholip_B) 		4 GLN B 408
THR B 268
HIS B 266
ASN B 354
 None
OCS  B 249 ( 4.0A)
OCS  B 249 ( 4.3A)
None
 1.37A 4pfjB-3fgtB:
undetectable		 4pfjB-3fgtB:
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.
3fhg N-GLYCOSYLASE/DNA
LYASE

(Sulfolobus
solfataricus) 		PF00730
(HhH-GPD) 		4 GLU A 201
THR A 202
THR A  43
HIS A 132
 None
None
GOL  A 208 ( 4.8A)
GOL  A 208 (-3.8A)
 1.11A 4pfjB-3fhgA:
undetectable		 4pfjB-3fhgA:
19.90
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.
3fus EXTERIOR MEMBRANE
GLYCOPROTEIN GP120

(Simian
immunodeficiency
virus) 		PF00516
(GP120) 		4 GLU A  84
THR A  81
THR A 296
HIS A 290
 None
 1.18A 4pfjB-3fusA:
undetectable		 4pfjB-3fusA:
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.
3fvr ACETYL XYLAN
ESTERASE

(Bacillus
pumilus) 		PF05448
(AXE1) 		4 THR A 244
THR A 129
HIS A 133
ASN A 232
 None
 1.31A 4pfjB-3fvrA:
3.9		 4pfjB-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  57
GLN A  82
THR A 156
HIS A 300
ASN A 345
 ADN  A 438 (-4.6A)
None
NAD  A 439 ( 3.0A)
ADN  A 438 ( 4.0A)
NAD  A 439 (-3.1A)
 0.27A 4pfjB-3g1uA:
60.5		 4pfjB-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.
3gbf PHPD

(Streptomyces
viridochromogenes) 		no annotation 4 THR A 303
GLN A 296
THR A 198
HIS A 129
 None
CD  A 512 ( 3.7A)
None
CD  A 513 ( 3.5A)
 1.26A 4pfjB-3gbfA:
undetectable		 4pfjB-3gbfA:
22.22
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  67
GLN A  92
THR A 200
HIS A 344
ASN A 387
 RAB  A 602 (-4.5A)
None
NAD  A 601 ( 2.9A)
RAB  A 602 ( 3.5A)
NAD  A 601 (-3.0A)
 0.42A 4pfjB-3glqA:
58.7		 4pfjB-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  57
GLN A  82
THR A 156
HIS A 300
ASN A 345
 ADN  A 439 (-4.7A)
None
NAD  A 438 (-3.8A)
None
NAD  A 438 (-2.9A)
 0.39A 4pfjB-3h9uA:
62.9		 4pfjB-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.
3jby V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Danio rerio) 		PF12940
(RAG1) 		4 GLU A 808
THR A 809
THR A 691
HIS A 687
 None
 1.34A 4pfjB-3jbyA:
undetectable		 4pfjB-3jbyA:
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.
3k50 PUTATIVE S41
PROTEASE

(Bacteroides
fragilis) 		PF03572
(Peptidase_S41) 		4 GLU A 328
THR A 323
THR A 389
ASN A 335
 None
 1.37A 4pfjB-3k50A:
3.0		 4pfjB-3k50A:
22.08
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		4 GLU A 170
GLN A 190
THR A  78
HIS A  84
 None
None
None
ZN  A 303 (-3.4A)
 1.33A 4pfjB-3kl7A:
undetectable		 4pfjB-3kl7A:
20.72
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.
3m8y PHOSPHOPENTOMUTASE

(Bacillus cereus) 		PF01676
(Metalloenzyme) 		4 GLU A 117
THR A 120
THR A 184
ASN A 127
 None
 1.19A 4pfjB-3m8yA:
undetectable		 4pfjB-3m8yA:
22.85
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.
3mkq COATOMER
BETA'-SUBUNIT

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD) 		4 GLU A  43
THR A   8
THR A 278
HIS A 237
 None
 1.34A 4pfjB-3mkqA:
undetectable		 4pfjB-3mkqA:
20.02
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.
3n0q PUTATIVE
AROMATIC-RING
HYDROXYLATING
DIOXYGENASE

(Ruegeria sp.
TM1040) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 GLU A 185
THR A 322
THR A  24
ASN A 363
 None
 1.27A 4pfjB-3n0qA:
undetectable		 4pfjB-3n0qA:
22.74
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  60
GLN A  85
THR A 193
HIS A 337
ASN A 380
 ADN  A 500 (-4.6A)
None
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-3.0A)
 0.52A 4pfjB-3n58A:
58.5		 4pfjB-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.
3olq UNIVERSAL STRESS
PROTEIN E

(Proteus
mirabilis) 		PF00582
(Usp) 		4 THR A 155
GLN A 188
THR A 244
ASN A 181
 None
UNL  A 321 ( 4.2A)
None
None
 1.37A 4pfjB-3olqA:
2.6		 4pfjB-3olqA:
20.85
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  67
GLN A  92
THR A 206
HIS A 350
ASN A 397
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
None
NAD  A 501 (-3.0A)
 0.50A 4pfjB-3oneA:
55.4		 4pfjB-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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 GLU A  64
THR A  65
THR A 201
ASN A  46
 None
 1.04A 4pfjB-3pvcA:
2.9		 4pfjB-3pvcA:
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.
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
 1.27A 4pfjB-3qefA:
undetectable		 4pfjB-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.
3rg1 CD180 MOLECULE
LY86 PROTEIN

(Bos taurus) 		PF00560
(LRR_1)
PF02221
(E1_DerP2_DerF2)
PF13855
(LRR_8) 		4 GLU C 115
GLN A 181
THR A 105
HIS A 129
 None
 1.28A 4pfjB-3rg1C:
undetectable		 4pfjB-3rg1C:
16.35
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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 GLU C1065
THR C1066
THR C1044
HIS C 579
 None
 0.97A 4pfjB-3sr6C:
undetectable		 4pfjB-3sr6C:
20.77
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.
3tlk FERRIENTEROBACTIN-BI
NDING PERIPLASMIC
PROTEIN

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		4 GLU A 212
THR A 210
GLN A 237
ASN A 146
 None
 1.30A 4pfjB-3tlkA:
2.3		 4pfjB-3tlkA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsm OCCLUSION-DERIVED
VIRUS ENVELOPE
PROTEIN E66

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF04850
(Baculo_E66) 		4 THR A 306
GLN A  93
THR A 188
HIS A 128
 None
 1.27A 4pfjB-3vsmA:
undetectable		 4pfjB-3vsmA:
20.73
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.
3w3a V-TYPE ATP SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 THR D 133
GLN D 425
THR D 371
HIS D 375
 None
 1.27A 4pfjB-3w3aD:
undetectable		 4pfjB-3w3aD:
21.13
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.
3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Bacillus
circulans) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		4 GLU A 706
GLN A 131
THR A 605
HIS A 175
 None
MES  A 809 (-4.5A)
None
None
 1.33A 4pfjB-3wnpA:
undetectable		 4pfjB-3wnpA:
21.94
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.
4af2 THIOL PEROXIDASE

(Escherichia
coli) 		PF08534
(Redoxin) 		4 THR A 155
GLN A 148
THR A  58
ASN A  51
 None
 1.28A 4pfjB-4af2A:
2.3		 4pfjB-4af2A:
21.00
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.
4bjp PENICILLIN BINDING
PROTEIN
TRANSPEPTIDASE
DOMAIN PROTEIN

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 GLU A 164
GLN A 142
THR A 201
ASN A 183
 None
 1.36A 4pfjB-4bjpA:
undetectable		 4pfjB-4bjpA:
23.25
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.
4d1t METALLO-B-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 GLU A 241
THR A 286
HIS A 224
ASN A 200
 None
 1.34A 4pfjB-4d1tA:
undetectable		 4pfjB-4d1tA:
21.67
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  63
GLN A  88
THR A 198
HIS A 342
ASN A 385
 ADN  A 501 (-4.5A)
NH4  A 502 ( 4.9A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
NAD  A 503 (-3.1A)
 0.20A 4pfjB-4lvcA:
57.7		 4pfjB-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.
4nf0 PROBABLE
C4-DICARBOXYLATE-BIN
DING PROTEIN

(Pseudomonas
aeruginosa) 		PF03480
(DctP) 		4 GLU A 210
THR A 209
GLN A 173
ASN A 148
 None
None
LMR  A 401 (-3.6A)
None
 1.11A 4pfjB-4nf0A:
undetectable		 4pfjB-4nf0A:
24.33
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.
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 4pfjB-4unfA:
undetectable		 4pfjB-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.
4uwq SULFUR OXIDATION
PROTEIN SOXB

(Thermus
thermophilus) 		PF02872
(5_nucleotid_C) 		4 GLU A 157
THR A 154
THR A 144
ASN A 164
 None
 1.19A 4pfjB-4uwqA:
undetectable		 4pfjB-4uwqA:
22.15
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.
4wwx V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		PF12940
(RAG1) 		4 GLU B 786
THR B 787
THR B 669
HIS B 665
 None
 1.37A 4pfjB-4wwxB:
undetectable		 4pfjB-4wwxB:
21.27
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.
4yjf D-AMINO-ACID OXIDASE

(Sus scrofa) 		PF01266
(DAO) 		4 THR B 317
THR B  56
HIS B 217
ASN B 134
 FAD  B 401 (-3.7A)
None
None
None
 1.15A 4pfjB-4yjfB:
3.6		 4pfjB-4yjfB:
25.39
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 GLU A1065
THR A1066
THR A1044
HIS A 579
 None
 0.97A 4pfjB-4yswA:
undetectable		 4pfjB-4yswA:
14.93
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.
5c3m PUTATIVE
6-PHOSPHO-BETA-GLUCO
SIDASE

(Geobacillus
stearothermophilus) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 GLN A  87
THR A 113
HIS A 202
ASN A 147
 None
None
MN  A 501 (-3.4A)
None
 1.33A 4pfjB-5c3mA:
6.0		 4pfjB-5c3mA:
24.32
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.
5cyu CONSERVED MEMBRANE
PROTEIN

(Mycolicibacterium
smegmatis) 		PF05108
(T7SS_ESX1_EccB) 		4 THR A 361
GLN A 442
THR A 201
HIS A 206
 None
 1.31A 4pfjB-5cyuA:
undetectable		 4pfjB-5cyuA:
21.82
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.
5dlk TQAA

(Penicillium
aethiopicum) 		PF00668
(Condensation) 		4 THR A 328
GLN A  59
THR A 206
HIS A  96
 None
 1.20A 4pfjB-5dlkA:
undetectable		 4pfjB-5dlkA:
21.18
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.
5doz JAMJ

(Lyngbya
majuscula) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 GLU A 213
THR A 215
THR A 182
HIS A 158
 None
 1.07A 4pfjB-5dozA:
9.9		 4pfjB-5dozA:
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.
5efv PHI ETA ORF 56-LIKE
PROTEIN

(Staphylococcus
virus 11) 		no annotation 4 THR A 323
GLN A 355
THR A 211
HIS A 212
 None
 1.26A 4pfjB-5efvA:
undetectable		 4pfjB-5efvA:
20.59
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.
5gqt NITRILE-SPECIFIER
PROTEIN 1

(Arabidopsis
thaliana) 		PF01344
(Kelch_1)
PF01419
(Jacalin)
PF13415
(Kelch_3) 		4 THR A  59
GLN A  31
THR A 131
HIS A 135
 None
 1.37A 4pfjB-5gqtA:
undetectable		 4pfjB-5gqtA:
21.07
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.
5hl4 RING-HYDROXYLATING
DIOXYGENASE

(Sinorhizobium
meliloti) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 GLU A 188
THR A 326
THR A  27
ASN A 367
 None
 1.28A 4pfjB-5hl4A:
undetectable		 4pfjB-5hl4A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m6j NITROPHORIN-7

(Rhodnius
prolixus) 		no annotation 4 GLU A  49
THR A  53
THR A 108
ASN A  80
 None
 0.92A 4pfjB-5m6jA:
undetectable		 4pfjB-5m6jA:
11.39
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.
5m85 SENSORY TRANSDUCTION
HISTIDINE KINASE

(Synechocystis
sp. PCC 6803) 		no annotation 4 GLU A 451
THR A 448
GLN A 581
THR A 543
 None
None
None
CYC  A 701 ( 4.0A)
 1.24A 4pfjB-5m85A:
undetectable		 4pfjB-5m85A:
10.72
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.
5mmd METALLO-BETA-LACTAMA
SE 1

(Acinetobacter
baumannii) 		PF00753
(Lactamase_B) 		4 GLU E 144
GLN E 167
THR E 197
HIS E 118
 None
None
ZN  E 403 ( 4.9A)
ZN  E 403 (-3.1A)
 1.36A 4pfjB-5mmdE:
undetectable		 4pfjB-5mmdE:
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.
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo sapiens) 		PF01663
(Phosphodiest) 		4 GLU A 352
GLN A 347
HIS A 308
ASN A 283
 IOD  A 532 ( 4.8A)
None
None
None
 1.33A 4pfjB-5udyA:
undetectable		 4pfjB-5udyA:
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.
5uoh CARBOXYLESTERASE A

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		4 GLU A 181
THR A 182
GLN A 167
ASN A 159
 None
 1.37A 4pfjB-5uohA:
undetectable		 4pfjB-5uohA:
21.70
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) 		5 GLU A  57
THR A  58
GLN A  83
THR A 212
ASN A 403
 SAH  A 502 (-3.7A)
SAH  A 502 (-4.2A)
None
NAD  A 501 ( 4.1A)
NAD  A 501 (-2.9A)
 0.56A 4pfjB-5utuA:
53.0		 4pfjB-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) 		5 GLU A  63
THR A  64
GLN A  89
THR A 198
ASN A 388
 ADN  A 502 (-3.6A)
ADN  A 502 (-4.4A)
None
NAD  A 501 ( 2.9A)
NAD  A 501 (-3.1A)
 0.23A 4pfjB-5v96A:
56.9		 4pfjB-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) 		4 GLU A  59
THR A  60
GLN A  85
THR A 157
 9W4  A 502 (-3.8A)
None
None
None
 0.76A 4pfjB-5w4bA:
55.6		 4pfjB-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.
5wt4 CYSTEINE DESULFURASE
ISCS

(Helicobacter
pylori) 		no annotation 4 GLU A  43
THR A  42
GLN A  39
THR A 241
 None
 1.19A 4pfjB-5wt4A:
2.5		 4pfjB-5wt4A:
12.23
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.
5y4k DMSP LYASE DDDY

(Acinetobacter
bereziniae) 		no annotation 4 GLU A 248
THR A 362
GLN A 369
THR A 330
 None
 1.36A 4pfjB-5y4kA:
undetectable		 4pfjB-5y4kA:
19.83
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  63
GLN A  88
THR A 162
HIS A 306
ASN A 351
 ADN  A 501 (-4.5A)
None
NAD  A 500 ( 2.9A)
ADN  A 501 ( 3.7A)
NAD  A 500 (-3.1A)
 0.25A 4pfjB-6aphA:
63.0		 4pfjB-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.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 4 GLU A 231
THR A 230
THR A 239
ASN A 317
 None
None
None
SAM  A 701 (-4.9A)
 1.20A 4pfjB-6b3bA:
5.2		 4pfjB-6b3bA:
21.57
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.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 4 GLU A 275
GLN A 244
THR A 214
HIS A 221
 None
 1.21A 4pfjB-6c01A:
undetectable		 4pfjB-6c01A:
9.39
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.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		no annotation 4 GLU A 786
THR A 787
THR A 669
HIS A 665
 None
 1.31A 4pfjB-6cg0A:
undetectable		 4pfjB-6cg0A:
11.52
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.
6d6v TELOMERASE
HOLOENZYME TEB2
SUBUNIT
TELOMERASE-ASSOCIATE
D PROTEIN 82

(Tetrahymena
thermophila) 		no annotation 4 GLU E 155
THR E  70
THR E  31
ASN D 540
 None
 1.34A 4pfjB-6d6vE:
undetectable		 4pfjB-6d6vE:
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 5 THR B  66
GLN B  91
THR B 165
HIS B 323
ASN B 375
 ADN  B 502 (-4.6A)
K  B 504 ( 4.9A)
NAD  B 501 ( 2.8A)
ZN  B 505 (-3.2A)
NAD  B 501 (-3.0A)
 0.50A 4pfjB-6f3mB:
56.6		 4pfjB-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.
6f5d ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL
ATP SYNTHASE SUBUNIT
BETA

(Trypanosoma
brucei) 		no annotation 4 GLU D 299
GLN D 132
THR D 337
ASN A 225
 None
 1.36A 4pfjB-6f5dD:
2.4		 4pfjB-6f5dD:
11.60
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.
6f5u ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1

(Zaire
ebolavirus) 		no annotation 4 THR A 283
GLN A 255
THR A  77
HIS A 139
 None
 1.35A 4pfjB-6f5uA:
undetectable		 4pfjB-6f5uA:
11.17
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.
6gbn -

(-) 		no annotation 5 THR A  61
GLN A  86
THR A 160
HIS A 304
ASN A 349
 ADN  A 501 (-4.6A)
NA  A 503 ( 4.8A)
NAD  A 502 ( 2.8A)
ADN  A 501 ( 3.6A)
NAD  A 502 (-3.1A)
 0.24A 4pfjB-6gbnA:
63.0		 4pfjB-6gbnA:
undetectable