SIMILAR PATTERNS OF AMINO ACIDS FOR 4PFJ_B_ADNB502_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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