SIMILAR PATTERNS OF AMINO ACIDS FOR 4LV9_A_20JA601

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.
1abr ABRIN-A

(Abrus
precatorius) 		PF00652
(Ricin_B_lectin) 		4 ASP B 234
SER B 231
ALA B 217
TYR B 233
 None
 1.06A 4lv9A-1abrB:
undetectable
4lv9B-1abrB:
undetectable		 4lv9A-1abrB:
20.61
4lv9B-1abrB:
20.61
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.
1bev BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4

(Enterovirus E) 		PF00073
(Rhv) 		4 ARG 2 200
SER 1 192
ALA 1 188
SER 1 186
 None
 1.15A 4lv9A-1bev2:
0.0
4lv9B-1bev2:
0.0		 4lv9A-1bev2:
18.88
4lv9B-1bev2:
18.88
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.
1chk CHITOSANASE

(Streptomyces
sp. N174) 		PF01374
(Glyco_hydro_46) 		4 PHE A 141
ASP A 145
ALA A  21
SER A  20
 None
 1.05A 4lv9A-1chkA:
0.0
4lv9B-1chkA:
0.0		 4lv9A-1chkA:
19.04
4lv9B-1chkA:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f82 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 PHE A 271
ASP A 275
SER A 374
ARG A 369
 None
 1.06A 4lv9A-1f82A:
0.0
4lv9B-1f82A:
0.0		 4lv9A-1f82A:
22.43
4lv9B-1f82A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gk2 HISTIDINE
AMMONIA-LYASE

(Pseudomonas
putida) 		PF00221
(Lyase_aromatic) 		4 ASP A 145
SER A 139
ALA A 420
SER A 418
 None
 0.96A 4lv9A-1gk2A:
0.0
4lv9B-1gk2A:
0.0		 4lv9A-1gk2A:
21.10
4lv9B-1gk2A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 ARG A 172
SER A 460
ALA A 456
SER A 455
 None
 1.06A 4lv9A-1h0hA:
0.0
4lv9B-1h0hA:
0.0		 4lv9A-1h0hA:
19.43
4lv9B-1h0hA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jvw MACROPHAGE
INFECTIVITY
POTENTIATOR

(Trypanosoma
cruzi) 		PF00254
(FKBP_C) 		4 PHE A 102
SER A 159
ALA A 145
TYR A 146
 None
 0.94A 4lv9A-1jvwA:
0.0
4lv9B-1jvwA:
undetectable		 4lv9A-1jvwA:
13.10
4lv9B-1jvwA:
13.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pem RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
ALPHA CHAIN

(Salmonella
enterica) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF08343
(RNR_N) 		4 ASP A 313
SER A 310
ALA A 219
TYR A 312
 None
 1.18A 4lv9A-1pemA:
4.4
4lv9B-1pemA:
4.4		 4lv9A-1pemA:
20.57
4lv9B-1pemA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pvl LEUCOCIDIN

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		4 ARG A 271
ASP A 165
SER A 152
ARG A 181
 None
 1.01A 4lv9A-1pvlA:
undetectable
4lv9B-1pvlA:
undetectable		 4lv9A-1pvlA:
20.90
4lv9B-1pvlA:
20.90
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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		4 PHE A 156
SER A 212
ALA A 199
TYR A 200
 None
 1.07A 4lv9A-1q6hA:
undetectable
4lv9B-1q6hA:
undetectable		 4lv9A-1q6hA:
20.32
4lv9B-1q6hA:
20.32
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.
1s5p NAD-DEPENDENT
DEACETYLASE

(Escherichia
coli) 		PF02146
(SIR2) 		4 PHE A  81
ASP A  82
SER A 156
ARG A 184
 None
 1.15A 4lv9A-1s5pA:
undetectable
4lv9B-1s5pA:
undetectable		 4lv9A-1s5pA:
20.65
4lv9B-1s5pA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tvz 3-HYDROXY-3-METHYLGL
UTARYL-COA SYNTHASE

(Staphylococcus
aureus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 SER A 229
ALA A 266
SER A 284
TYR A 263
 None
 1.11A 4lv9A-1tvzA:
undetectable
4lv9B-1tvzA:
undetectable		 4lv9A-1tvzA:
22.81
4lv9B-1tvzA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u79 FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
3

(Arabidopsis
thaliana) 		PF00254
(FKBP_C) 		4 PHE A  47
SER A 117
ALA A  98
TYR A  99
 None
 1.02A 4lv9A-1u79A:
undetectable
4lv9B-1u79A:
undetectable		 4lv9A-1u79A:
14.74
4lv9B-1u79A:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vs0 PUTATIVE DNA
LIGASE-LIKE PROTEIN
RV0938/MT0965

(Mycobacterium
tuberculosis) 		PF01068
(DNA_ligase_A_M)
PF04679
(DNA_ligase_A_C) 		4 ARG A 486
ASP A 560
SER A 622
TYR A 624
 APK  A 481 ( 4.0A)
None
None
None
 0.99A 4lv9A-1vs0A:
undetectable
4lv9B-1vs0A:
undetectable		 4lv9A-1vs0A:
19.49
4lv9B-1vs0A:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w36 EXODEOXYRIBONUCLEASE
V GAMMA CHAIN

(Escherichia
coli) 		PF04257
(Exonuc_V_gamma) 		4 ARG C 687
ASP C 441
SER C 651
SER C  39
 None
 1.14A 4lv9A-1w36C:
undetectable
4lv9B-1w36C:
undetectable		 4lv9A-1w36C:
17.75
4lv9B-1w36C:
17.75
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.
1y56 HYPOTHETICAL PROTEIN
PH1363
SARCOSINE OXIDASE

(Pyrococcus
horikoshii) 		PF01266
(DAO)
PF07992
(Pyr_redox_2)
PF13510
(Fer2_4) 		4 ARG A 490
ALA B 250
SER B 244
TYR B 287
 None
 1.05A 4lv9A-1y56A:
undetectable
4lv9B-1y56A:
undetectable		 4lv9A-1y56A:
23.47
4lv9B-1y56A:
23.47
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.
1yat FK506 BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		4 PHE A  36
SER A  95
ALA A  81
TYR A  82
 FK5  A 108 ( 4.8A)
None
None
FK5  A 108 ( 4.7A)
 1.13A 4lv9A-1yatA:
undetectable
4lv9B-1yatA:
undetectable		 4lv9A-1yatA:
13.59
4lv9B-1yatA:
13.59
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.
1yir NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE 2

(Pseudomonas
aeruginosa) 		PF04095
(NAPRTase) 		4 PHE A 178
ARG A 181
ARG A 287
TYR A  22
 None
SO4  A2001 (-3.5A)
SO4  A2001 (-3.1A)
SO4  A2001 (-4.6A)
 0.43A 4lv9A-1yirA:
6.4
4lv9B-1yirA:
4.5		 4lv9A-1yirA:
24.62
4lv9B-1yirA:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2akz GAMMA ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ARG A 402
ASP A 208
ALA A  38
SER A  39
 None
None
PO4  A 442 (-3.5A)
MG  A 441 (-2.1A)
 1.01A 4lv9A-2akzA:
2.2
4lv9B-2akzA:
undetectable		 4lv9A-2akzA:
23.91
4lv9B-2akzA:
23.91
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.
2bd0 SEPIAPTERIN
REDUCTASE

(Chlorobaculum
tepidum) 		PF00106
(adh_short) 		4 PHE A  99
SER A 161
ALA A 147
SER A 145
 None
None
None
NAP  A 800 (-3.4A)
 1.14A 4lv9A-2bd0A:
undetectable
4lv9B-2bd0A:
undetectable		 4lv9A-2bd0A:
19.57
4lv9B-2bd0A:
19.57
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.
2fv5 ADAM 17

(Homo sapiens) 		PF13688
(Reprolysin_5) 		4 ASP A 416
SER A 451
ALA A 413
SER A 457
 None
 0.98A 4lv9A-2fv5A:
undetectable
4lv9B-2fv5A:
undetectable		 4lv9A-2fv5A:
19.01
4lv9B-2fv5A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gsk PROTEIN TONB
VITAMIN B12
TRANSPORTER BTUB

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF03544
(TonB_C)
PF07715
(Plug) 		4 ARG B 166
SER A 388
ALA A 421
SER A 434
 None
 1.06A 4lv9A-2gskB:
undetectable
4lv9B-2gskB:
undetectable		 4lv9A-2gskB:
11.11
4lv9B-2gskB:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ptz ENOLASE

(Trypanosoma
brucei) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ARG A 403
ASP A 207
ALA A  39
SER A  40
 None
None
PAH  A 600 (-3.6A)
ZN  A 501 ( 2.1A)
 1.00A 4lv9A-2ptzA:
2.9
4lv9B-2ptzA:
3.5		 4lv9A-2ptzA:
22.33
4lv9B-2ptzA:
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.
2pz1 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4

(Homo sapiens) 		PF00018
(SH3_1)
PF00169
(PH)
PF00621
(RhoGEF) 		4 ARG A 605
ASP A 525
SER A 498
ARG A 496
 None
 1.12A 4lv9A-2pz1A:
undetectable
4lv9B-2pz1A:
undetectable		 4lv9A-2pz1A:
20.70
4lv9B-2pz1A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uyo HYPOTHETICAL PROTEIN
ML2640

(Mycobacterium
leprae) 		PF04072
(LCM) 		5 PHE A 175
ARG A 171
ASP A 176
ALA A 209
SER A 212
 None
 1.11A 4lv9A-2uyoA:
undetectable
4lv9B-2uyoA:
undetectable		 4lv9A-2uyoA:
21.13
4lv9B-2uyoA:
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.
2v8j PECTATE LYASE

(Yersinia
enterocolitica) 		PF06917
(Pectate_lyase_2) 		4 ARG A 530
ASP A 531
ALA A  62
SER A  61
 None
 1.18A 4lv9A-2v8jA:
undetectable
4lv9B-2v8jA:
undetectable		 4lv9A-2v8jA:
22.75
4lv9B-2v8jA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		4 PHE A1514
ARG A1515
SER A2039
SER A1475
 None
 1.08A 4lv9A-2vz9A:
undetectable
4lv9B-2vz9A:
undetectable		 4lv9A-2vz9A:
11.32
4lv9B-2vz9A:
11.32
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.
2x3n PROBABLE
FAD-DEPENDENT
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		4 ARG A  74
ALA A 259
SER A 256
ARG A 201
 None
 1.13A 4lv9A-2x3nA:
undetectable
4lv9B-2x3nA:
undetectable		 4lv9A-2x3nA:
22.61
4lv9B-2x3nA:
22.61
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.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE

(Pseudomonas sp.
P-501) 		no annotation 4 PHE A 178
ASP A 185
SER A 200
TYR A 187
 None
 1.18A 4lv9A-2yr5A:
undetectable
4lv9B-2yr5A:
undetectable		 4lv9A-2yr5A:
20.95
4lv9B-2yr5A:
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.
3a6p EXPORTIN-5

(Homo sapiens) 		PF08389
(Xpo1) 		4 PHE A 426
ASP A 425
SER A 364
SER A 369
 None
 1.17A 4lv9A-3a6pA:
undetectable
4lv9B-3a6pA:
undetectable		 4lv9A-3a6pA:
18.11
4lv9B-3a6pA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3akc CYTIDYLATE KINASE

(Thermus
thermophilus) 		PF02224
(Cytidylate_kin) 		4 ARG A 170
ASP A 175
ALA A 101
ARG A 102
 None
CDP  A 209 (-2.8A)
CDP  A 209 (-3.6A)
None
 1.09A 4lv9A-3akcA:
undetectable
4lv9B-3akcA:
undetectable		 4lv9A-3akcA:
17.30
4lv9B-3akcA:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b8i PA4872 OXALOACETATE
DECARBOXYLASE

(Pseudomonas
aeruginosa) 		PF13714
(PEP_mutase) 		4 PHE A 239
SER A  27
SER A  50
TYR A 238
 None
None
OXL  A 288 (-2.5A)
None
 1.17A 4lv9A-3b8iA:
4.2
4lv9B-3b8iA:
5.6		 4lv9A-3b8iA:
20.79
4lv9B-3b8iA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b97 ALPHA-ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ARG A 402
ASP A 208
ALA A  38
SER A  39
 None
None
SO4  A 436 (-3.7A)
MG  A 435 ( 2.3A)
 1.01A 4lv9A-3b97A:
2.5
4lv9B-3b97A:
2.9		 4lv9A-3b97A:
25.82
4lv9B-3b97A:
25.82
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.
3b9y AMMONIUM TRANSPORTER
FAMILY RH-LIKE
PROTEIN

(Nitrosomonas
europaea) 		PF00909
(Ammonium_transp) 		4 PHE A 384
ASP A 380
ALA A  69
TYR A  65
 None
 1.06A 4lv9A-3b9yA:
undetectable
4lv9B-3b9yA:
undetectable		 4lv9A-3b9yA:
20.48
4lv9B-3b9yA:
20.48
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.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		4 ARG A  65
SER A 189
ALA A 152
ARG A 153
 None
 1.06A 4lv9A-3bfgA:
undetectable
4lv9B-3bfgA:
undetectable		 4lv9A-3bfgA:
19.64
4lv9B-3bfgA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gde DNA LIGASE

(Archaeoglobus
fulgidus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ARG A 254
ASP A 338
SER A 404
TYR A 406
 None
 0.94A 4lv9A-3gdeA:
undetectable
4lv9B-3gdeA:
undetectable		 4lv9A-3gdeA:
23.85
4lv9B-3gdeA:
23.85
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.
3gdf PROBABLE
NADP-DEPENDENT
MANNITOL
DEHYDROGENASE

(Cladosporium
herbarum) 		PF13561
(adh_short_C2) 		4 ASP A 114
SER A 115
ALA A 124
SER A 121
 None
 1.09A 4lv9A-3gdfA:
undetectable
4lv9B-3gdfA:
2.6		 4lv9A-3gdfA:
20.21
4lv9B-3gdfA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0t FAB FRAGMENT, HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ARG B  70
ALA B  95
SER B  42
ARG B  45
 None
 0.83A 4lv9A-3h0tB:
undetectable
4lv9B-3h0tB:
undetectable		 4lv9A-3h0tB:
20.16
4lv9B-3h0tB:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ipo PUTATIVE THIOSULFATE
SULFURTRANSFERASE
YNJE

(Escherichia
coli) 		PF00581
(Rhodanese) 		4 SER A 382
ALA A 391
SER A 392
ARG A 238
 None
None
None
NA  A 436 ( 4.0A)
 1.04A 4lv9A-3ipoA:
undetectable
4lv9B-3ipoA:
undetectable		 4lv9A-3ipoA:
22.88
4lv9B-3ipoA:
22.88
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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 ASP A 420
ALA A 414
SER A 466
TYR A 418
 None
 1.15A 4lv9A-3k1dA:
2.8
4lv9B-3k1dA:
3.6		 4lv9A-3k1dA:
20.28
4lv9B-3k1dA:
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.
3kf3 INVERTASE

(Schwanniomyces
occidentalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 PHE A 502
ARG A 442
ALA A 317
TYR A 316
 None
 1.11A 4lv9A-3kf3A:
undetectable
4lv9B-3kf3A:
undetectable		 4lv9A-3kf3A:
21.13
4lv9B-3kf3A:
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.
3n00 NUCLEAR RECEPTOR
COREPRESSOR 1
REV-ERBA-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
no annotation 		4 PHE B2063
ARG B2065
ALA A 454
ARG A 461
 None
 1.17A 4lv9A-3n00B:
undetectable
4lv9B-3n00B:
undetectable		 4lv9A-3n00B:
3.72
4lv9B-3n00B:
3.72
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.
3n5m ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		4 PHE A 121
ARG A 125
SER A 141
ALA A 155
 None
 1.11A 4lv9A-3n5mA:
undetectable
4lv9B-3n5mA:
undetectable		 4lv9A-3n5mA:
22.37
4lv9B-3n5mA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nz4 PHENYLALANINE
AMMONIA-LYASE

(Taxus
canadensis) 		PF00221
(Lyase_aromatic) 		4 ASP A 178
SER A 172
ALA A 465
SER A 463
 MDO  A 176 ( 4.3A)
MDO  A 176 ( 3.7A)
None
MDO  A 176 ( 4.8A)
 0.94A 4lv9A-3nz4A:
undetectable
4lv9B-3nz4A:
undetectable		 4lv9A-3nz4A:
21.39
4lv9B-3nz4A:
21.39
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		4 ARG A 452
ASP A  84
ALA A  27
SER A  29
 None
 1.13A 4lv9A-3nztA:
undetectable
4lv9B-3nztA:
undetectable		 4lv9A-3nztA:
19.37
4lv9B-3nztA:
19.37
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.
3os4 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia pestis) 		PF04095
(NAPRTase) 		4 PHE A 174
ARG A 177
ARG A 282
TYR A  18
 None
 0.65A 4lv9A-3os4A:
5.0
4lv9B-3os4A:
2.4		 4lv9A-3os4A:
24.95
4lv9B-3os4A:
24.95
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.
3p8k HYDROLASE,
CARBON-NITROGEN
FAMILY

(Staphylococcus
aureus) 		PF00795
(CN_hydrolase) 		4 ASP A 109
ALA A  95
SER A  82
TYR A 108
 None
 1.08A 4lv9A-3p8kA:
2.4
4lv9B-3p8kA:
undetectable		 4lv9A-3p8kA:
22.29
4lv9B-3p8kA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tix CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Schizosaccharomyces
pombe) 		no annotation 4 ASP B 539
SER B 541
SER B 517
ARG B 521
 None
 1.01A 4lv9A-3tixB:
undetectable
4lv9B-3tixB:
undetectable		 4lv9A-3tixB:
25.23
4lv9B-3tixB:
25.23
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.
3toj SET1/ASH2 HISTONE
METHYLTRANSFERASE
COMPLEX SUBUNIT ASH2

(Homo sapiens) 		PF00622
(SPRY) 		4 ASP A 360
SER A 363
ALA A 355
TYR A 359
 None
 1.18A 4lv9A-3tojA:
undetectable
4lv9B-3tojA:
undetectable		 4lv9A-3tojA:
17.96
4lv9B-3tojA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w1g DNA LIGASE 4

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ARG A 278
ASP A 368
SER A 436
TYR A 438
 ATP  A 701 (-4.3A)
None
None
None
 1.01A 4lv9A-3w1gA:
undetectable
4lv9B-3w1gA:
undetectable		 4lv9A-3w1gA:
21.15
4lv9B-3w1gA:
21.15
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.
3wla OXIDIZED POLYVINYL
ALCOHOL HYDROLASE

(Sphingopyxis
sp. 113P3) 		no annotation 4 ASP A 327
SER A 274
SER A 259
ARG A 324
 None
 0.80A 4lv9A-3wlaA:
undetectable
4lv9B-3wlaA:
undetectable		 4lv9A-3wlaA:
19.84
4lv9B-3wlaA:
19.84
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.
3x3y PHENYLETHYLAMINE
OXIDASE

(Arthrobacter
globiformis) 		PF01179
(Cu_amine_oxid)
PF02728
(Cu_amine_oxidN3) 		4 ARG A  49
ASP A  46
SER A 276
ARG A 438
 NA  A 709 ( 4.9A)
None
None
None
 0.95A 4lv9A-3x3yA:
undetectable
4lv9B-3x3yA:
undetectable		 4lv9A-3x3yA:
22.56
4lv9B-3x3yA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x3y PHENYLETHYLAMINE
OXIDASE

(Arthrobacter
globiformis) 		PF01179
(Cu_amine_oxid)
PF02728
(Cu_amine_oxidN3) 		4 ARG A  61
ALA A 278
SER A 276
TYR A 552
 None
 0.94A 4lv9A-3x3yA:
undetectable
4lv9B-3x3yA:
undetectable		 4lv9A-3x3yA:
22.56
4lv9B-3x3yA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zuq BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		4 PHE A 272
ASP A 276
SER A 375
ARG A 370
 None
 1.05A 4lv9A-3zuqA:
undetectable
4lv9B-3zuqA:
undetectable		 4lv9A-3zuqA:
21.07
4lv9B-3zuqA:
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.
4bf8 FPR4

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		4 PHE A 323
SER A 380
ALA A 367
TYR A 368
 None
 0.96A 4lv9A-4bf8A:
undetectable
4lv9B-4bf8A:
undetectable		 4lv9A-4bf8A:
12.30
4lv9B-4bf8A:
12.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4blp PACKAGING ENZYME P4

(Pseudomonas
phage phi13) 		PF11602
(NTPase_P4) 		4 PHE A 111
ASP A  78
SER A  64
SER A  53
 None
 1.11A 4lv9A-4blpA:
undetectable
4lv9B-4blpA:
undetectable		 4lv9A-4blpA:
21.26
4lv9B-4blpA:
21.26
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.
4e1l ACETOACETYL-COA
THIOLASE 2

(Clostridioides
difficile) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ARG A  11
SER A 248
ALA A 346
SER A 182
 None
 1.01A 4lv9A-4e1lA:
undetectable
4lv9B-4e1lA:
undetectable		 4lv9A-4e1lA:
22.09
4lv9B-4e1lA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ecn LEUCINE-RICH REPEAT
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14660
(DUF4458) 		4 SER A 469
ALA A 505
SER A 502
TYR A 508
 None
 1.17A 4lv9A-4ecnA:
undetectable
4lv9B-4ecnA:
undetectable		 4lv9A-4ecnA:
21.31
4lv9B-4ecnA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eq5 DNA LIGASE

(Thermococcus
sibiricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ARG A 266
ASP A 352
SER A 419
TYR A 421
 AMP  A 601 (-4.4A)
None
None
None
 0.94A 4lv9A-4eq5A:
undetectable
4lv9B-4eq5A:
undetectable		 4lv9A-4eq5A:
24.33
4lv9B-4eq5A:
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.
4ily CHITOSANASE

(Streptomyces
sp. SirexAA-E) 		PF01374
(Glyco_hydro_46) 		4 PHE A 193
ASP A 197
ALA A  73
SER A  72
 None
 1.08A 4lv9A-4ilyA:
undetectable
4lv9B-4ilyA:
undetectable		 4lv9A-4ilyA:
20.27
4lv9B-4ilyA:
20.27
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.
4j1l TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27) 		4 PHE A 275
ASP A 279
SER A 377
ARG A 372
 None
 1.17A 4lv9A-4j1lA:
undetectable
4lv9B-4j1lA:
undetectable		 4lv9A-4j1lA:
21.89
4lv9B-4j1lA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Thermobifida
fusca) 		PF02011
(Glyco_hydro_48) 		4 ASP A 308
SER A 306
ALA A  96
SER A  95
 None
 1.10A 4lv9A-4jjjA:
undetectable
4lv9B-4jjjA:
undetectable		 4lv9A-4jjjA:
21.89
4lv9B-4jjjA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mks ENOLASE 2

(Lactobacillus
gasseri) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ARG A 399
ASP A 204
ALA A  41
SER A  42
 None
 1.06A 4lv9A-4mksA:
2.9
4lv9B-4mksA:
2.7		 4lv9A-4mksA:
23.70
4lv9B-4mksA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n8g TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens) 		PF03480
(DctP) 		4 ASP A 180
SER A 182
ALA A 110
SER A 109
 None
 1.09A 4lv9A-4n8gA:
undetectable
4lv9B-4n8gA:
undetectable		 4lv9A-4n8gA:
22.96
4lv9B-4n8gA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nao PUTATIVE OXYGENASE

(Claviceps
purpurea) 		PF05721
(PhyH) 		4 ASP A 244
ALA A 127
ARG A  86
TYR A 125
 None
 1.09A 4lv9A-4naoA:
undetectable
4lv9B-4naoA:
undetectable		 4lv9A-4naoA:
20.36
4lv9B-4naoA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgg PUTATIVE PHAGE
STRUCTURAL PROTEIN

(Lactococcus
phage 1358) 		no annotation 4 PHE A 240
ASP A 235
ALA A 292
SER A 291
 GN1  A 401 ( 4.3A)
None
GN1  A 401 (-3.6A)
GN1  A 401 (-3.0A)
 1.15A 4lv9A-4rggA:
undetectable
4lv9B-4rggA:
undetectable		 4lv9A-4rggA:
23.09
4lv9B-4rggA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wcj POLYSACCHARIDE
DEACETYLASE

(Ammonifex
degensii) 		PF01522
(Polysacc_deac_1) 		4 PHE A 151
ASP A 117
SER A 119
ALA A  68
 None
 1.10A 4lv9A-4wcjA:
3.2
4lv9B-4wcjA:
3.1		 4lv9A-4wcjA:
18.33
4lv9B-4wcjA:
18.33
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.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Pseudomonas
aeruginosa) 		PF01425
(Amidase) 		4 ASP A 209
ALA A 126
SER A 152
TYR A 204
 None
 1.04A 4lv9A-4wj3A:
undetectable
4lv9B-4wj3A:
undetectable		 4lv9A-4wj3A:
22.53
4lv9B-4wj3A:
22.53
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.
4wp6 MRNA EXPORT PROTEIN

(Chaetomium
thermophilum) 		PF14580
(LRR_9) 		4 ARG A 206
ASP A 216
SER A 267
ALA A 219
 None
 1.16A 4lv9A-4wp6A:
3.2
4lv9B-4wp6A:
2.4		 4lv9A-4wp6A:
17.04
4lv9B-4wp6A:
17.04
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.
4wva UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		PF01204
(Trehalase) 		4 ASP A 234
SER A 286
ALA A 301
SER A 300
 None
 1.15A 4lv9A-4wvaA:
undetectable
4lv9B-4wvaA:
undetectable		 4lv9A-4wvaA:
20.94
4lv9B-4wvaA:
20.94
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.
4wyr ACETYL-COA
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ARG A  11
SER A 247
ALA A 345
SER A 182
 None
 1.01A 4lv9A-4wyrA:
undetectable
4lv9B-4wyrA:
undetectable		 4lv9A-4wyrA:
23.19
4lv9B-4wyrA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x8n SET1/ASH2 HISTONE
METHYLTRANSFERASE
COMPLEX SUBUNIT ASH2

(Homo sapiens) 		PF00622
(SPRY) 		4 ASP A 360
SER A 363
ALA A 355
TYR A 359
 None
 1.15A 4lv9A-4x8nA:
undetectable
4lv9B-4x8nA:
undetectable		 4lv9A-4x8nA:
19.07
4lv9B-4x8nA:
19.07
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.
4xkq NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF00496
(SBP_bac_5) 		4 PHE A 134
ARG A 376
SER A  96
ALA A 392
 HIS  A 503 ( 4.8A)
None
None
None
 1.05A 4lv9A-4xkqA:
undetectable
4lv9B-4xkqA:
undetectable		 4lv9A-4xkqA:
21.06
4lv9B-4xkqA:
21.06
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.
4yqy PUTATIVE
DEHYDROGENASE

(Sulfitobacter
sp. NAS-14.1) 		PF13561
(adh_short_C2) 		4 ARG A  97
SER A 158
ALA A 143
SER A 141
 None
 1.17A 4lv9A-4yqyA:
undetectable
4lv9B-4yqyA:
undetectable		 4lv9A-4yqyA:
19.16
4lv9B-4yqyA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bn4 NEQ263
V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		4 ARG A 294
SER A 334
ALA B 253
SER B 247
 None
 1.11A 4lv9A-5bn4A:
undetectable
4lv9B-5bn4A:
undetectable		 4lv9A-5bn4A:
24.60
4lv9B-5bn4A:
24.60
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.
5doz JAMJ

(Lyngbya
majuscula) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 SER A 226
ALA A 159
SER A 202
ARG A 203
 NDP  A 502 (-3.7A)
NDP  A 502 (-3.3A)
NDP  A 502 (-2.4A)
NDP  A 502 (-3.4A)
 1.04A 4lv9A-5dozA:
undetectable
4lv9B-5dozA:
undetectable		 4lv9A-5dozA:
22.48
4lv9B-5dozA:
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 PHE A 202
ASP A 205
ALA A 385
SER A 382
 None
 1.18A 4lv9A-5favA:
3.1
4lv9B-5favA:
2.4		 4lv9A-5favA:
20.39
4lv9B-5favA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 PHE A 202
ASP A 205
SER A 207
ALA A 385
 None
 0.86A 4lv9A-5favA:
3.1
4lv9B-5favA:
2.4		 4lv9A-5favA:
20.39
4lv9B-5favA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		4 ASP M 213
SER M 168
SER M  58
ARG M  56
 None
 0.98A 4lv9A-5fmgM:
undetectable
4lv9B-5fmgM:
undetectable		 4lv9A-5fmgM:
21.23
4lv9B-5fmgM:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis) 		PF13354
(Beta-lactamase2) 		4 ARG A  65
SER A 189
ALA A 152
ARG A 153
 None
 1.09A 4lv9A-5gl9A:
undetectable
4lv9B-5gl9A:
undetectable		 4lv9A-5gl9A:
19.84
4lv9B-5gl9A:
19.84
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 PHE A1319
SER A1353
ALA A1356
SER A1267
 None
 1.19A 4lv9A-5gzuA:
2.1
4lv9B-5gzuA:
3.2		 4lv9A-5gzuA:
21.52
4lv9B-5gzuA:
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.
5hx0 UNCHARACTERIZED
PROTEIN DFER_1899

(Dyadobacter
fermentans) 		PF13088
(BNR_2) 		4 ASP A 293
SER A 291
ALA A 250
SER A 249
 None
 1.14A 4lv9A-5hx0A:
undetectable
4lv9B-5hx0A:
undetectable		 4lv9A-5hx0A:
23.30
4lv9B-5hx0A:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5isu LMO0135 PROTEIN

(Listeria
monocytogenes) 		PF00496
(SBP_bac_5) 		4 ASP A 490
SER A 281
ALA A 314
SER A 374
 None
 1.16A 4lv9A-5isuA:
undetectable
4lv9B-5isuA:
undetectable		 4lv9A-5isuA:
21.99
4lv9B-5isuA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j9c PEROXIREDOXIN ASP F3

(Aspergillus
fumigatus) 		PF08534
(Redoxin) 		4 PHE A  16
ASP A 114
SER A 120
ALA A  52
 None
 1.03A 4lv9A-5j9cA:
undetectable
4lv9B-5j9cA:
undetectable		 4lv9A-5j9cA:
17.59
4lv9B-5j9cA:
17.59
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.
5jrp MARBERG VIRUS
MONOCLONAL ANTIBODY
MR78 FAB HEAVY CHAIN

(Homo sapiens) 		no annotation 4 ASP H 137
SER H 108
SER H  36
TYR H 110
 None
 1.03A 4lv9A-5jrpH:
undetectable
4lv9B-5jrpH:
undetectable		 4lv9A-5jrpH:
17.19
4lv9B-5jrpH:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lf7 PROTEASOME SUBUNIT
BETA TYPE-1

(Homo sapiens) 		PF00227
(Proteasome) 		4 ASP L 186
SER L 140
SER L  30
ARG L  28
 None
None
None
K  L 302 ( 4.6A)
 0.95A 4lv9A-5lf7L:
undetectable
4lv9B-5lf7L:
undetectable		 4lv9A-5lf7L:
19.56
4lv9B-5lf7L:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mhf MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Mus musculus) 		no annotation 4 PHE A 649
ARG A 598
ASP A 638
SER A 703
 None
 1.07A 4lv9A-5mhfA:
undetectable
4lv9B-5mhfA:
undetectable		 4lv9A-5mhfA:
11.36
4lv9B-5mhfA:
11.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 4 ASP A1289
SER A1332
SER A1317
TYR A1336
 None
 1.04A 4lv9A-5ngyA:
1.8
4lv9B-5ngyA:
undetectable		 4lv9A-5ngyA:
17.31
4lv9B-5ngyA:
17.31
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.
5osn CAPSID PROTEIN

(Enterovirus E) 		PF00073
(Rhv) 		4 ARG B 198
SER A 185
ALA A 181
SER A 179
 None
 1.07A 4lv9A-5osnB:
undetectable
4lv9B-5osnB:
undetectable		 4lv9A-5osnB:
19.03
4lv9B-5osnB:
19.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		PF04095
(NAPRTase) 		7 PHE A 193
ARG A 196
ASP A 219
SER A 241
ALA A 244
SER A 275
ARG A 311
 7TA  A 504 (-3.6A)
SO4  A 501 ( 3.2A)
7TA  A 504 (-3.3A)
7TA  A 504 ( 3.8A)
7TA  A 504 (-3.5A)
7TA  A 504 (-2.7A)
SO4  A 501 ( 3.2A)
 0.24A 4lv9A-5u2nA:
58.7
4lv9B-5u2nA:
58.1		 4lv9A-5u2nA:
100.00
4lv9B-5u2nA:
100.00
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.
5v8f DNA REPLICATION
LICENSING FACTOR
MCM7

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		4 ASP 7 101
SER 7 104
ALA 7 219
SER 7 221
 None
 1.12A 4lv9A-5v8f7:
undetectable
4lv9B-5v8f7:
undetectable		 4lv9A-5v8f7:
21.34
4lv9B-5v8f7:
21.34
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.
5vf4 UNCHARACTERIZED
PROTEIN

(Thermus
aquaticus) 		PF03781
(FGE-sulfatase) 		4 ARG A 128
ASP A 133
SER A 144
ARG A 136
 None
None
None
ACT  A 403 ( 4.2A)
 1.16A 4lv9A-5vf4A:
undetectable
4lv9B-5vf4A:
undetectable		 4lv9A-5vf4A:
21.90
4lv9B-5vf4A:
21.90
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.
5w94 MAU2 CHROMATID
COHESION FACTOR
HOMOLOG

(Saccharomyces
cerevisiae) 		PF10345
(Cohesin_load) 		4 ALA A  17
SER A  47
ARG A  21
TYR A  14
 None
 1.02A 4lv9A-5w94A:
undetectable
4lv9B-5w94A:
undetectable		 4lv9A-5w94A:
22.90
4lv9B-5w94A:
22.90
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.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 4 PHE A 179
SER A 154
ALA A 145
SER A 183
 None
NDP  A 502 (-3.6A)
None
None
 1.16A 4lv9A-5yvsA:
undetectable
4lv9B-5yvsA:
undetectable		 4lv9A-5yvsA:
9.39
4lv9B-5yvsA:
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 4 ASP A 507
SER A 469
ALA A 477
SER A 480
 None
 1.04A 4lv9A-5z0uA:
4.5
4lv9B-5z0uA:
4.5		 4lv9A-5z0uA:
11.18
4lv9B-5z0uA:
11.18
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.
6a8m -

(-) 		no annotation 4 PHE A 373
ARG A 374
ALA A 418
SER A 303
 None
 1.18A 4lv9A-6a8mA:
undetectable
4lv9B-6a8mA:
undetectable		 4lv9A-6a8mA:
undetectable
4lv9B-6a8mA:
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.
6at7 PHENYLALANINE
AMMONIA-LYASE

(Sorghum bicolor) 		no annotation 4 ASP A 262
ALA A  55
SER A  59
TYR A 261
 None
 1.08A 4lv9A-6at7A:
undetectable
4lv9B-6at7A:
undetectable		 4lv9A-6at7A:
10.98
4lv9B-6at7A:
10.98
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.
6b4p PEPTIDYLPROLYL
ISOMERASE

(Naegleria
fowleri) 		no annotation 4 PHE A  48
SER A 107
ALA A  93
TYR A  94
 None
 1.14A 4lv9A-6b4pA:
undetectable
4lv9B-6b4pA:
undetectable		 4lv9A-6b4pA:
15.50
4lv9B-6b4pA:
15.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bn2 ACETYL-COA
ACETYLTRANSFERASE

(Elizabethkingia
anophelis) 		no annotation 4 ARG A  11
SER A 247
ALA A 345
SER A 181
 None
 1.02A 4lv9A-6bn2A:
undetectable
4lv9B-6bn2A:
undetectable		 4lv9A-6bn2A:
9.73
4lv9B-6bn2A:
9.73
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.
6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY

(Brevundimonas
sp. BAL3) 		no annotation 4 PHE A 455
ARG A 414
SER A  96
ALA A 270
 None
 1.10A 4lv9A-6frlA:
undetectable
4lv9B-6frlA:
undetectable		 4lv9A-6frlA:
9.39
4lv9B-6frlA:
9.39