SIMILAR PATTERNS OF AMINO ACIDS FOR 4LVC_B_ADNB501

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.
1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 LEU A 416
ASP A 253
GLU A  42
HIS A 423
GLY A 242
 None
 1.37A 4lvcB-1e1cA:
undetectable		 4lvcB-1e1cA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B

(Methanothermobacter
thermautotrophicus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 LEU A 161
ASP A 162
ASP A 183
MET A 147
PHE A 146
 None
 1.16A 4lvcB-1g7rA:
undetectable		 4lvcB-1g7rA:
23.21
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.
1q3k CREATININASE

(Pseudomonas
putida) 		PF02633
(Creatininase) 		5 HIS A 178
THR A 226
HIS A 120
GLY A 180
MET A  40
 ZN  A 300 ( 4.9A)
None
ZN  A 300 (-3.5A)
None
None
 1.35A 4lvcB-1q3kA:
3.2		 4lvcB-1q3kA:
19.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  53
HIS A  54
THR A  56
ASP A 134
GLU A 200
LYS A 230
ASP A 234
GLY A 397
HIS A 398
MET A 403
PHE A 407
 None
ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-3.1A)
ADN  A 502 (-4.0A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
 0.24A 4lvcB-1v8bA:
58.8		 4lvcB-1v8bA:
53.25
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.
2hfq HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF09630
(DUF2024) 		5 LEU A  40
LYS A  80
GLY A  15
HIS A  16
MET A  18
 None
 1.21A 4lvcB-2hfqA:
undetectable		 4lvcB-2hfqA:
10.90
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 THR A 275
ASP A 300
GLU A 299
LYS A 205
ASP A 201
 None
 1.38A 4lvcB-2pqdA:
undetectable		 4lvcB-2pqdA:
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.
2r2d ZN-DEPENDENT
HYDROLASES

(Agrobacterium
fabrum) 		PF00753
(Lactamase_B) 		5 LEU A 231
HIS A 191
HIS A 113
GLY A 258
HIS A 259
 None
ZN  A 278 ( 3.2A)
ZN  A 278 ( 3.2A)
None
ZN  A 277 (-3.2A)
 1.47A 4lvcB-2r2dA:
undetectable		 4lvcB-2r2dA:
21.88
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.
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)
 1.34A 4lvcB-2wabA:
5.3		 4lvcB-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y8u CHITIN DEACETYLASE

(Aspergillus
nidulans) 		PF01522
(Polysacc_deac_1) 		5 LEU A  73
HIS A  97
THR A  98
ASP A  48
HIS A 196
 None
CO  A1239 ( 3.3A)
None
CO  A1239 ( 2.4A)
PO4  A1238 (-4.1A)
 1.33A 4lvcB-2y8uA:
3.6		 4lvcB-2y8uA:
17.34
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 HIS A 215
THR A 172
ASP A  83
ASP A 119
HIS A 240
 ZN  A5648 (-3.4A)
None
ZN  A5648 (-2.7A)
THM  A6510 (-3.7A)
ZN  A5647 ( 3.5A)
 1.42A 4lvcB-2z1aA:
2.2		 4lvcB-2z1aA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		5 LEU A 293
ASP A 290
HIS A   9
GLY A 241
PHE A 299
 None
None
None
SAH  A 376 (-3.1A)
None
 1.38A 4lvcB-2zwvA:
3.9		 4lvcB-2zwvA:
24.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  69
THR A  74
ASP A 156
ASP A 252
HIS A 363
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
 1.26A 4lvcB-3ce6A:
59.2		 4lvcB-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
HIS A 363
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 4lvcB-3ce6A:
59.2		 4lvcB-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  52
THR A  57
ASP A 130
HIS A 300
MET A 357
 ADN  A 438 (-4.0A)
ADN  A 438 (-4.6A)
ADN  A 438 (-4.1A)
ADN  A 438 ( 4.0A)
ADN  A 438 (-3.7A)
 1.35A 4lvcB-3g1uA:
55.7		 4lvcB-3g1uA:
60.17
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 LEU A  51
HIS A  52
THR A  54
ASP A 130
GLU A 155
HIS A 300
GLY A 351
HIS A 352
MET A 357
PHE A 361
 None
ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-4.1A)
ADN  A 438 (-3.8A)
ADN  A 438 ( 4.0A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
 0.50A 4lvcB-3g1uA:
55.7		 4lvcB-3g1uA:
60.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  62
THR A  67
ASP A 139
ASP A 233
HIS A 344
MET A 399
 RAB  A 602 (-3.8A)
RAB  A 602 (-4.5A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 3.5A)
RAB  A 602 (-3.6A)
 1.32A 4lvcB-3glqA:
61.1		 4lvcB-3glqA:
65.45
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) 		12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 199
LYS A 229
ASP A 233
HIS A 344
GLY A 393
HIS A 394
MET A 399
PHE A 403
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 3.5A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.38A 4lvcB-3glqA:
61.1		 4lvcB-3glqA:
65.45
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 HIS A  52
THR A  57
ASP A 130
ASP A 189
HIS A 300
 ADN  A 439 ( 4.7A)
ADN  A 439 (-4.7A)
None
NAD  A 438 ( 4.4A)
None
 1.31A 4lvcB-3h9uA:
57.6		 4lvcB-3h9uA:
58.85
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 LEU A  51
HIS A  52
THR A  54
ASP A 130
GLU A 155
LYS A 185
ASP A 189
HIS A 300
GLY A 351
HIS A 352
MET A 357
PHE A 361
 None
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
None
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
 0.19A 4lvcB-3h9uA:
57.6		 4lvcB-3h9uA:
58.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  55
THR A  60
ASP A 132
ASP A 226
HIS A 337
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
 1.24A 4lvcB-3n58A:
62.6		 4lvcB-3n58A:
69.73
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 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
HIS A 337
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.20A 4lvcB-3n58A:
62.6		 4lvcB-3n58A:
69.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 350
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
 1.27A 4lvcB-3oneA:
57.6		 4lvcB-3oneA:
62.65
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 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
HIS A 350
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.47A 4lvcB-3oneA:
57.6		 4lvcB-3oneA:
62.65
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.
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B

(Azoarcus
evansii) 		no annotation 5 LEU A 427
HIS A 423
LYS A 398
HIS A 406
PHE A 395
 None
 0.93A 4lvcB-3pf7A:
undetectable		 4lvcB-3pf7A:
20.49
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 THR A 171
ASP A  55
ASP A   5
GLY A 173
HIS A 198
 None
GOL  A 496 (-3.1A)
GOL  A 496 (-2.9A)
None
None
 1.40A 4lvcB-3rreA:
5.5		 4lvcB-3rreA:
25.13
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 LEU A 162
THR A 148
ASP A 346
HIS A 411
GLY A 364
 None
 1.41A 4lvcB-3szeA:
undetectable		 4lvcB-3szeA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 LEU A 139
GLU A 128
ASP A  94
GLY A  98
HIS A  46
 None
None
ZN  A1595 (-2.4A)
None
ZN  A1596 (-3.3A)
 1.22A 4lvcB-3zu0A:
undetectable		 4lvcB-3zu0A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c1n CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE,
IRON-SULFUR PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF03599
(CdhD) 		5 LEU B 305
ASP B  31
GLY B 287
HIS B 288
PHE B  36
 None
 1.44A 4lvcB-4c1nB:
undetectable		 4lvcB-4c1nB:
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		5 THR A 213
ASP A 300
HIS A 296
HIS A 240
PHE A 115
 None
ZN  A 401 (-2.6A)
None
None
None
 1.42A 4lvcB-4gxwA:
undetectable		 4lvcB-4gxwA:
22.49
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU B1073
HIS A  73
LYS B1102
ASP B1106
GLY A  75
 None
ZN  A1002 (-3.1A)
None
None
None
 1.29A 4lvcB-4qiwB:
undetectable		 4lvcB-4qiwB:
18.43
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.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Sus scrofa) 		PF00149
(Metallophos) 		5 LEU A  95
HIS A  92
ASP A 146
GLY A  51
HIS A 186
 None
PO4  A 404 (-3.7A)
PO4  A 404 ( 4.6A)
None
FE  A 403 ( 3.4A)
 1.38A 4lvcB-5uq6A:
undetectable		 4lvcB-5uq6A:
21.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  52
HIS A  53
THR A  55
ASP A 137
GLU A 211
LYS A 241
ASP A 245
GLY A 409
HIS A 410
MET A 415
PHE A 419
 None
SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.17A 4lvcB-5utuA:
54.7		 4lvcB-5utuA:
51.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  58
HIS A  59
THR A  61
ASP A 136
GLU A 197
LYS A 227
ASP A 231
GLY A 394
HIS A 395
MET A 400
PHE A 404
 None
ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 (-3.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.14A 4lvcB-5v96A:
60.6		 4lvcB-5v96A:
62.47
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.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 604
THR A 665
GLU A 567
ASP A 756
HIS A 730
 None
 1.33A 4lvcB-5vywA:
2.1		 4lvcB-5vywA:
18.71
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 LEU A  54
ASP A 131
LYS A 186
ASP A 190
HIS A 353
MET A 358
PHE A 362
 None
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.89A 4lvcB-5w4bA:
48.2		 4lvcB-5w4bA:
57.47
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) 		9 LEU A  54
HIS A  55
THR A  57
ASP A 131
GLU A 156
LYS A 186
ASP A 190
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
 0.77A 4lvcB-5w4bA:
48.2		 4lvcB-5w4bA:
57.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LYS A 186
ASP A 190
GLY A 352
HIS A 353
MET A 358
PHE A 362
 None
NAD  A 501 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.94A 4lvcB-5w4bA:
48.2		 4lvcB-5w4bA:
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.
5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		5 LEU A 187
HIS A 185
GLY A 255
HIS A 241
PHE A 244
 None
 1.37A 4lvcB-5xgsA:
undetectable		 4lvcB-5xgsA:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  58
THR A  63
ASP A 136
ASP A 195
HIS A 306
 ADN  A 501 (-3.9A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 3.7A)
 1.22A 4lvcB-6aphA:
58.3		 4lvcB-6aphA:
60.62
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 LEU A  57
HIS A  58
THR A  60
ASP A 136
GLU A 161
LYS A 191
ASP A 195
GLY A 357
HIS A 358
MET A 363
PHE A 367
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.54A 4lvcB-6aphA:
58.3		 4lvcB-6aphA:
60.62
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 LEU A  57
HIS A  58
THR A  60
ASP A 136
LYS A 191
ASP A 195
HIS A 306
GLY A 357
HIS A 358
MET A 363
PHE A 367
 None
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)
ADN  A 501 ( 3.7A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.18A 4lvcB-6aphA:
58.3		 4lvcB-6aphA:
60.62
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 5 LEU A 247
ASP A 405
GLY A 311
HIS A 310
PHE A 305
 None
 1.47A 4lvcB-6ceyA:
undetectable		 4lvcB-6ceyA:
10.11
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.
6f3m -

(-) 		no annotation 11 HIS B  61
THR B  63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
HIS B 323
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)
ZN  B 505 (-3.2A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.25A 4lvcB-6f3mB:
53.4		 4lvcB-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 5 HIS B  61
THR B  66
ASP B 139
ASP B 198
HIS B 323
 ADN  B 502 ( 4.0A)
ADN  B 502 (-4.6A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-2.7A)
ZN  B 505 (-3.2A)
 1.24A 4lvcB-6f3mB:
53.4		 4lvcB-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 5 HIS B 323
ASP B 139
GLU B 164
LYS B 194
GLY B 322
 ZN  B 505 (-3.2A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
ADN  B 502 (-2.8A)
NAD  B 501 (-3.4A)
 1.48A 4lvcB-6f3mB:
53.4		 4lvcB-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 5 HIS A  56
THR A  61
ASP A 134
ASP A 193
HIS A 304
 ADN  A 501 (-3.9A)
ADN  A 501 (-4.6A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 3.6A)
 1.21A 4lvcB-6gbnA:
58.3		 4lvcB-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 5 HIS A 304
ASP A 134
GLU A 159
LYS A 189
GLY A 303
 ADN  A 501 ( 3.6A)
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
NAD  A 502 (-3.4A)
 1.50A 4lvcB-6gbnA:
58.3		 4lvcB-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 12 LEU A  55
HIS A  56
THR A  58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
HIS A 304
GLY A 355
HIS A 356
MET A 361
PHE A 365
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 3.6A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.17A 4lvcB-6gbnA:
58.3		 4lvcB-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.
6gy5 -

(-) 		no annotation 5 LEU A 379
HIS A 373
THR A 404
ASP A 374
GLY A 423
 NA  A 722 ( 4.4A)
None
None
NA  A 721 ( 4.8A)
None
 1.48A 4lvcB-6gy5A:
undetectable		 4lvcB-6gy5A:
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.
1avv NEGATIVE FACTOR

(Human
immunodeficiency
virus 1) 		PF00469
(F-protein) 		4 GLN A 118
THR A 117
LEU A  97
LEU A  91
 None
 1.08A 4lvcB-1avvA:
undetectable		 4lvcB-1avvA:
14.64
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.
1ck7 PROTEIN (GELATINASE
A)

(Homo sapiens) 		PF00040
(fn2)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 GLN A 442
THR A 155
LEU A 420
LEU A 433
 None
 1.01A 4lvcB-1ck7A:
undetectable		 4lvcB-1ck7A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eak 72 KDA TYPE IV
COLLAGENASE

(Homo sapiens) 		PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 GLN A 442
THR A 155
LEU A 420
LEU A 433
 None
 1.00A 4lvcB-1eakA:
undetectable		 4lvcB-1eakA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ewr DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 THR A 582
THR A 678
LEU A 705
LEU A 708
 None
 1.09A 4lvcB-1ewrA:
undetectable		 4lvcB-1ewrA:
22.55
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.
1hfs STROMELYSIN-1

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 GLN A 243
THR A 128
LEU A 218
LEU A 234
 None
None
L04  A 256 ( 4.7A)
None
 1.00A 4lvcB-1hfsA:
undetectable		 4lvcB-1hfsA:
16.74
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.
1hyl HYPODERMA LINEATUM
COLLAGENASE

(Hypoderma
lineatum) 		PF00089
(Trypsin) 		4 GLN A 239
THR A 242
LEU A 209
LEU A 123
 None
 1.07A 4lvcB-1hylA:
undetectable		 4lvcB-1hylA:
18.53
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.
1ozn RETICULON 4 RECEPTOR

(Homo sapiens) 		PF13855
(LRR_8) 		4 THR A 125
THR A 173
LEU A 161
LEU A 137
 None
 1.11A 4lvcB-1oznA:
undetectable		 4lvcB-1oznA:
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.
1qib 72 KDA TYPE IV
COLLAGENASE

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 GLN A 243
THR A 128
LEU A 218
LEU A 234
 None
 1.06A 4lvcB-1qibA:
undetectable		 4lvcB-1qibA:
16.18
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.
1r4n AMYLOID BETA
PRECURSOR
PROTEIN-BINDING
PROTEIN 1

(Homo sapiens) 		PF00899
(ThiF) 		4 GLN A 503
THR A 129
LEU A  46
LEU A  49
 None
 1.09A 4lvcB-1r4nA:
2.2		 4lvcB-1r4nA:
21.93
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.
1slm STROMELYSIN-1

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 GLN A 243
THR A 128
LEU A 218
LEU A 234
 None
 0.99A 4lvcB-1slmA:
undetectable		 4lvcB-1slmA:
18.37
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.
1ujj ADP-RIBOSYLATION
FACTOR BINDING
PROTEIN GGA1

(Homo sapiens) 		PF00790
(VHS) 		4 GLN A  36
THR A   9
THR A  18
LEU A  51
 None
 1.04A 4lvcB-1ujjA:
undetectable		 4lvcB-1ujjA:
16.46
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.
1vqu ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE 2

(Nostoc sp. PCC
7120) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		4 GLN A 311
THR A 307
THR A 111
LEU A 252
 None
 1.05A 4lvcB-1vquA:
2.8		 4lvcB-1vquA:
23.45
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.
1wyr RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 6

(Homo sapiens) 		PF00307
(CH) 		4 THR A 114
THR A 106
LEU A  45
LEU A  48
 None
 1.04A 4lvcB-1wyrA:
undetectable		 4lvcB-1wyrA:
13.26
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.
1xeb HYPOTHETICAL PROTEIN
PA0115

(Pseudomonas
aeruginosa) 		PF13673
(Acetyltransf_10) 		4 GLN A  38
THR A  49
LEU A  21
LEU A  22
 None
 1.11A 4lvcB-1xebA:
undetectable		 4lvcB-1xebA:
15.86
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.
1zdx OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF13954
(PapC_N) 		4 GLN A 117
THR A  94
LEU A 113
LEU A  39
 None
 0.88A 4lvcB-1zdxA:
undetectable		 4lvcB-1zdxA:
13.54
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.
2bp1 AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 THR A  70
THR A  45
LEU A 131
LEU A  94
 None
 1.03A 4lvcB-2bp1A:
undetectable		 4lvcB-2bp1A:
22.04
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.
2ci6 NG,
NG-DIMETHYLARGININE
DIMETHYLAMINOHYDROLA
SE 1

(Bos taurus) 		PF02274
(Amidinotransf) 		4 GLN A  60
THR A  13
LEU A 108
LEU A 111
 None
 0.91A 4lvcB-2ci6A:
undetectable		 4lvcB-2ci6A:
21.50
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.
2e9f ARGININOSUCCINATE
LYASE

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		4 THR A 215
THR A 206
LEU A  51
LEU A  46
 None
 1.11A 4lvcB-2e9fA:
undetectable		 4lvcB-2e9fA:
23.15
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.
2exa PENICILLIN-BINDING
PROTEIN 4

(Escherichia
coli) 		PF02113
(Peptidase_S13) 		4 GLN A 158
THR A 157
LEU A 178
LEU A 244
 None
 1.03A 4lvcB-2exaA:
undetectable		 4lvcB-2exaA:
22.35
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.
2g7z CONSERVED
HYPOTHETICAL PROTEIN
SPY1493

(Streptococcus
pyogenes) 		PF02645
(DegV) 		4 GLN A 122
THR A 259
LEU A 192
LEU A 157
 None
HXA  A9136 ( 3.7A)
None
None
 0.98A 4lvcB-2g7zA:
undetectable		 4lvcB-2g7zA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l8b PROTEIN TRAI

(Escherichia
coli) 		no annotation 4 GLN A 531
THR A 504
THR A 535
LEU A 426
 None
 1.08A 4lvcB-2l8bA:
undetectable		 4lvcB-2l8bA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nef NEGATIVE FACTOR
(F-PROTEIN)

(Human
immunodeficiency
virus 1) 		PF00469
(F-protein) 		4 GLN A 118
THR A 117
LEU A  97
LEU A  91
 None
 0.94A 4lvcB-2nefA:
undetectable		 4lvcB-2nefA:
15.54
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.
2ob1 LEUCINE CARBOXYL
METHYLTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF04072
(LCM) 		4 GLN A 213
THR A 182
LEU A 203
LEU A 204
 None
 1.03A 4lvcB-2ob1A:
2.9		 4lvcB-2ob1A:
19.44
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		4 THR G 286
THR G 252
LEU G 156
LEU G 267
 None
 1.05A 4lvcB-2uv8G:
undetectable		 4lvcB-2uv8G:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		4 THR A  31
THR A 329
LEU A 208
LEU A 207
 None
None
None
FAD  A1373 (-3.9A)
 1.10A 4lvcB-2uzzA:
undetectable		 4lvcB-2uzzA:
20.17
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 GLN A  73
THR A  74
THR A 219
LEU A 407
LEU A 410
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
 0.61A 4lvcB-3ce6A:
59.2		 4lvcB-3ce6A:
58.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cq0 PUTATIVE
TRANSALDOLASE
YGR043C

(Saccharomyces
cerevisiae) 		PF00923
(TAL_FSA) 		4 THR A  45
THR A  24
LEU A 264
LEU A 261
 GOL  A 354 ( 4.4A)
None
None
None
 0.96A 4lvcB-3cq0A:
2.3		 4lvcB-3cq0A:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE

(Shewanella
oneidensis) 		PF03702
(AnmK) 		4 GLN A 288
THR A 189
LEU A 308
LEU A 312
 None
 1.10A 4lvcB-3cqyA:
undetectable		 4lvcB-3cqyA:
22.95
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 GLN A 229
THR A1195
THR A 608
LEU A 550
 None
 1.04A 4lvcB-3egwA:
undetectable		 4lvcB-3egwA:
17.83
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		4 GLN A 292
THR A 291
THR A 337
LEU A 332
 None
 0.85A 4lvcB-3eqnA:
undetectable		 4lvcB-3eqnA:
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.
3ew5 MACRO DOMAIN OF
NON-STRUCTURAL
PROTEIN 3

(Alphacoronavirus
1) 		PF01661
(Macro) 		4 GLN A 190
THR A 188
LEU A 170
LEU A 166
 None
 1.03A 4lvcB-3ew5A:
undetectable		 4lvcB-3ew5A:
17.44
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 GLN A  56
THR A  57
THR A 156
LEU A 343
LEU A 346
 ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
NAD  A 439 ( 3.0A)
NAD  A 439 ( 4.0A)
ADN  A 438 ( 4.8A)
 0.58A 4lvcB-3g1uA:
55.7		 4lvcB-3g1uA:
60.17
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.
3g5w MULTICOPPER OXIDASE
TYPE 1

(Nitrosomonas
europaea) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 THR A 220
THR A 247
LEU A 235
LEU A 184
 None
 1.10A 4lvcB-3g5wA:
undetectable		 4lvcB-3g5wA:
21.66
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 GLN A  66
THR A  67
THR A 200
LEU A 385
LEU A 388
 RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
NAD  A 601 ( 2.9A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
 0.51A 4lvcB-3glqA:
61.1		 4lvcB-3glqA:
65.45
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 GLN A  56
THR A  57
THR A 156
LEU A 343
LEU A 346
 ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
NAD  A 438 (-3.8A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
 0.42A 4lvcB-3h9uA:
57.6		 4lvcB-3h9uA:
58.85
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.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLN A 215
THR A 233
THR A   7
LEU A 450
 None
 1.05A 4lvcB-3hz6A:
undetectable		 4lvcB-3hz6A:
23.55
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.
3iv7 ALCOHOL
DEHYDROGENASE IV

(Corynebacterium
glutamicum) 		PF00465
(Fe-ADH) 		4 THR A 261
THR A 246
LEU A 341
LEU A 344
 None
 0.90A 4lvcB-3iv7A:
3.0		 4lvcB-3iv7A:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m19 VARIABLE LYMPHOCYTE
RECEPTOR A DIVERSITY
REGION

(Petromyzon
marinus) 		PF13855
(LRR_8) 		4 THR A  36
THR A  53
LEU A  65
LEU A  63
 None
 1.12A 4lvcB-3m19A:
undetectable		 4lvcB-3m19A:
19.87
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 GLN A  59
THR A  60
THR A 193
LEU A 378
LEU A 381
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
 0.50A 4lvcB-3n58A:
62.6		 4lvcB-3n58A:
69.73
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.
3n9x PHOSPHOTRANSFERASE

(Plasmodium
berghei) 		PF00069
(Pkinase) 		4 THR A 238
THR A 133
LEU A 162
LEU A 116
 None
 1.06A 4lvcB-3n9xA:
undetectable		 4lvcB-3n9xA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nie MAP2 KINASE

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		4 THR A 243
THR A 135
LEU A 164
LEU A 118
 None
 1.06A 4lvcB-3nieA:
undetectable		 4lvcB-3nieA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o2x COLLAGENASE 3

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 GLN A1263
THR A1149
LEU A1239
LEU A1254
 None
None
3O2  A1801 (-4.5A)
None
 0.99A 4lvcB-3o2xA:
undetectable		 4lvcB-3o2xA:
15.85
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 GLN A  66
THR A  67
THR A 206
LEU A 395
LEU A 398
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
 0.33A 4lvcB-3oneA:
57.6		 4lvcB-3oneA:
62.65
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT

(Komagataella
pastoris) 		no annotation 4 GLN I 279
THR I 281
LEU I  99
LEU I  95
 None
 1.12A 4lvcB-3opyI:
2.2		 4lvcB-3opyI:
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.
3sxp ADP-L-GLYCERO-D-MANN
OHEPTOSE-6-EPIMERASE

(Helicobacter
pylori) 		PF01370
(Epimerase) 		4 GLN A 117
THR A  16
LEU A  86
LEU A  83
 None
 1.09A 4lvcB-3sxpA:
5.4		 4lvcB-3sxpA:
22.78
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.
3sxp ADP-L-GLYCERO-D-MANN
OHEPTOSE-6-EPIMERASE

(Helicobacter
pylori) 		PF01370
(Epimerase) 		4 GLN A 117
THR A 114
LEU A  86
LEU A  83
 None
NAD  A2402 ( 4.9A)
None
None
 0.96A 4lvcB-3sxpA:
5.4		 4lvcB-3sxpA:
22.78
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		4 THR A 162
THR A  26
LEU A 395
LEU A 200
 None
 1.12A 4lvcB-3t3oA:
undetectable		 4lvcB-3t3oA:
23.01
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.
3ttl POLYAMINE TRANSPORT
PROTEIN

(Pseudomonas
aeruginosa) 		PF13416
(SBP_bac_8) 		4 GLN A 354
THR A 357
LEU A 192
LEU A 187
 None
 0.90A 4lvcB-3ttlA:
undetectable		 4lvcB-3ttlA:
22.36
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.
3u9w LEUKOTRIENE A-4
HYDROLASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 THR A1302
THR A1421
LEU A1389
LEU A1390
 None
 0.99A 4lvcB-3u9wA:
undetectable		 4lvcB-3u9wA:
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.
3v96 STROMELYSIN-2

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 GLN B 259
THR B 144
LEU B 234
LEU B 250
 None
 0.99A 4lvcB-3v96B:
undetectable		 4lvcB-3v96B:
14.23
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.
4arv PHYTASE

(Yersinia
kristensenii) 		PF00328
(His_Phos_2) 		4 GLN A 290
THR A 291
LEU A  15
LEU A 303
 None
 1.12A 4lvcB-4arvA:
undetectable		 4lvcB-4arvA:
24.47
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.
4auo INTERSTITIAL
COLLAGENASE

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		4 GLN A 238
THR A 126
LEU A 216
LEU A 229
 None
 1.11A 4lvcB-4auoA:
undetectable		 4lvcB-4auoA:
21.19
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.
4bc5 XYLULOSE KINASE

(Homo sapiens) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLN A 223
THR A 163
LEU A 241
LEU A 234
 None
 0.99A 4lvcB-4bc5A:
undetectable		 4lvcB-4bc5A:
22.89
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.
4bc5 XYLULOSE KINASE

(Homo sapiens) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLN A 223
THR A 172
LEU A 241
LEU A 234
 None
 1.08A 4lvcB-4bc5A:
undetectable		 4lvcB-4bc5A:
22.89
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.
4ccs CBIX

(Paracoccus
pantotrophus) 		PF01903
(CbiX) 		4 GLN A 113
THR A 112
LEU A 178
LEU A 206
 None
 1.07A 4lvcB-4ccsA:
undetectable		 4lvcB-4ccsA:
20.46
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.
4fek PUTATIVE DIFLAVIN
FLAVOPROTEIN A 5

(Nostoc sp. PCC
7120) 		no annotation 4 GLN A  10
THR A  18
LEU A 226
LEU A 234
 None
 1.10A 4lvcB-4fekA:
undetectable		 4lvcB-4fekA:
19.13
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.
4fvl COLLAGENASE 3

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		4 GLN A 263
THR A 149
LEU A 239
LEU A 254
 None
 1.00A 4lvcB-4fvlA:
undetectable		 4lvcB-4fvlA:
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.
4fvl COLLAGENASE 3

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		4 GLN A 401
THR A 394
LEU A 373
LEU A 375
 PGO  A 522 (-2.9A)
None
None
None
 0.85A 4lvcB-4fvlA:
undetectable		 4lvcB-4fvlA:
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.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 THR A 299
THR A 418
LEU A 386
LEU A 387
 None
 0.98A 4lvcB-4gaaA:
undetectable		 4lvcB-4gaaA:
20.98
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.
4ha7 2,5-DIAMINO-6-RIBOSY
LAMINO-4(3H)-PYRIMID
INONE 5'-PHOSPHATE
REDUCTASE

(Saccharomyces
cerevisiae) 		PF01872
(RibD_C) 		4 THR A  33
THR A 202
LEU A  10
LEU A  14
 None
 1.03A 4lvcB-4ha7A:
undetectable		 4lvcB-4ha7A:
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.
4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN

(Bacillus
anthracis) 		PF00188
(CAP)
PF14504
(CAP_assoc_N) 		4 GLN A 250
THR A 338
LEU A 278
LEU A 282
 None
 1.06A 4lvcB-4ifaA:
undetectable		 4lvcB-4ifaA:
20.89
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.
4j6e UDP-2,3-DIACYLGLUCOS
AMINE
PYROPHOSPHATASE LPXI

(Caulobacter
vibrioides) 		PF06230
(DUF1009) 		4 GLN A 169
THR A 187
LEU A 134
LEU A 252
 UDG  A 301 (-3.8A)
UDG  A 301 (-3.8A)
None
None
 1.00A 4lvcB-4j6eA:
undetectable		 4lvcB-4j6eA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n1a CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 GLN A1309
THR A1310
THR A1305
LEU A1291
 ATP  A1402 ( 4.8A)
ATP  A1402 (-4.7A)
None
None
 0.95A 4lvcB-4n1aA:
undetectable		 4lvcB-4n1aA:
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.
4n6d TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Desulfovibrio
salexigens) 		PF03480
(DctP) 		4 THR A 154
THR A 230
LEU A 182
LEU A 164
 None
 1.06A 4lvcB-4n6dA:
undetectable		 4lvcB-4n6dA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nh0 CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 GLN A1309
THR A1310
THR A1305
LEU A1291
 ATP  A1404 ( 4.8A)
ATP  A1404 (-4.4A)
None
None
 1.00A 4lvcB-4nh0A:
2.4		 4lvcB-4nh0A:
18.23
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.
4nu7 RIBULOSE-PHOSPHATE
3-EPIMERASE

(Toxoplasma
gondii) 		PF00834
(Ribul_P_3_epim) 		4 THR A 169
THR A 128
LEU A 122
LEU A 145
 None
 1.04A 4lvcB-4nu7A:
undetectable		 4lvcB-4nu7A:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o38 CYCLIN-G-ASSOCIATED
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLN A 184
THR A 147
LEU A 130
LEU A 181
 None
 1.12A 4lvcB-4o38A:
undetectable		 4lvcB-4o38A:
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.
4p8s RETICULON-4
RECEPTOR-LIKE 2

(Rattus
norvegicus) 		PF13855
(LRR_8) 		4 THR A  79
THR A 126
LEU A 113
LEU A  89
 None
 1.04A 4lvcB-4p8sA:
undetectable		 4lvcB-4p8sA:
20.12
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.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 GLN A 410
THR A 409
LEU A 427
LEU A 431
 None
 1.07A 4lvcB-4phcA:
undetectable		 4lvcB-4phcA:
24.13
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.
4pw0 ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Chitinophaga
pinensis) 		PF00561
(Abhydrolase_1) 		4 GLN A  40
THR A  45
LEU A 178
LEU A 181
 None
 1.10A 4lvcB-4pw0A:
undetectable		 4lvcB-4pw0A:
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.
4r6l BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB1

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 THR A  72
THR A  52
LEU A  31
LEU A 118
 None
 1.06A 4lvcB-4r6lA:
undetectable		 4lvcB-4r6lA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl5 EXOCYST COMPLEX
COMPONENT EXO70A1

(Arabidopsis
thaliana) 		PF03081
(Exo70) 		4 GLN A 424
THR A 420
LEU A 332
LEU A 336
 None
 1.01A 4lvcB-4rl5A:
undetectable		 4lvcB-4rl5A:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		4 GLN A 223
THR A 222
LEU A 194
LEU A 190
 1PE  A 908 (-3.8A)
None
None
1PE  A 908 (-4.3A)
 1.03A 4lvcB-4s38A:
undetectable		 4lvcB-4s38A:
24.15
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.
4x0q DNA POLYMERASE THETA

(Homo sapiens) 		PF00476
(DNA_pol_A) 		4 GLN A2441
THR A2442
LEU A2064
LEU A2069
 None
 1.00A 4lvcB-4x0qA:
undetectable		 4lvcB-4x0qA:
20.78
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.
4x82 ZINC TRANSPORTER
ZIP4

(Pteropus alecto) 		no annotation 4 GLN B 140
THR B 143
LEU B 176
LEU B 179
 None
 1.01A 4lvcB-4x82B:
undetectable		 4lvcB-4x82B:
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.
4xzb CELA

(Geobacillus sp.
70PC53) 		PF00150
(Cellulase) 		4 GLN A  42
THR A  51
LEU A 292
LEU A 277
 None
 1.10A 4lvcB-4xzbA:
undetectable		 4lvcB-4xzbA:
21.36
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.
4zgs PUTATIVE D-LACTATE
DEHYDROGENASE

(Chlamydomonas
reinhardtii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 THR A 245
THR A 236
LEU A 228
LEU A 225
 NAD  A1000 (-4.0A)
None
None
None
 1.07A 4lvcB-4zgsA:
5.0		 4lvcB-4zgsA:
23.55
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A

(Oryctolagus
cuniculus) 		PF01399
(PCI) 		4 GLN A  79
THR A  42
LEU A  55
LEU A  52
 None
 1.02A 4lvcB-5a5tA:
undetectable		 4lvcB-5a5tA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 4 GLN A 315
THR A 319
LEU A 356
LEU A 340
 None
 1.02A 4lvcB-5c2vA:
undetectable		 4lvcB-5c2vA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ehk LANTIBIOTIC
DEHYDRATASE

(Microbispora
corallina) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		4 THR A 484
THR A 686
LEU A 394
LEU A 397
 None
 1.10A 4lvcB-5ehkA:
undetectable		 4lvcB-5ehkA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fbu PHOSPHOENOLPYRUVATE
SYNTHASE

(Listeria
monocytogenes) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N) 		4 GLN A 549
THR A 550
THR A 568
LEU A 606
 None
 0.98A 4lvcB-5fbuA:
undetectable		 4lvcB-5fbuA:
20.63
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.
5g06 EXOSOME COMPLEX
COMPONENT RRP4

(Saccharomyces
cerevisiae) 		PF14382
(ECR1_N)
PF15985
(KH_6) 		4 GLN H 201
THR H 214
LEU H 194
LEU H 168
 None
 1.00A 4lvcB-5g06H:
undetectable		 4lvcB-5g06H:
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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		4 GLN B  40
THR B  21
THR B 695
LEU B 412
 None
AMP  B 801 (-4.0A)
AMP  B 801 (-3.8A)
None
 0.87A 4lvcB-5m45B:
undetectable		 4lvcB-5m45B:
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.
5nji PHTHIOCEROL/PHENOLPH
THIOCEROL SYNTHESIS
POLYKETIDE SYNTHASE
TYPE I PPSC

(Mycobacterium
tuberculosis) 		PF14765
(PS-DH) 		4 GLN A1133
THR A1142
LEU A1070
LEU A1096
 None
 0.82A 4lvcB-5njiA:
undetectable		 4lvcB-5njiA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o0l RETICULON-4 RECEPTOR

(Mus musculus) 		no annotation 4 THR A 125
THR A 173
LEU A 161
LEU A 137
 None
 1.10A 4lvcB-5o0lA:
undetectable		 4lvcB-5o0lA:
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.
5ocm NAD_GLY3P_DH,
NAD-DEPENDENT
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Streptosporangium
roseum) 		no annotation 4 THR A  93
THR A   7
LEU A  80
LEU A  77
 NAP  A 301 ( 4.3A)
None
None
None
 0.82A 4lvcB-5ocmA:
4.9		 4lvcB-5ocmA:
11.62
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.
5ojr -

(-) 		no annotation 4 GLN A  51
THR A  54
THR A  81
LEU A 335
 None
 1.04A 4lvcB-5ojrA:
undetectable		 4lvcB-5ojrA:
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.
5u6s UDP-GLYCOSYLTRANSFER
ASE 74F2

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		4 GLN A  24
THR A  20
LEU A 331
LEU A 328
 None
UDP  A 503 ( 4.3A)
None
None
 0.92A 4lvcB-5u6sA:
4.9		 4lvcB-5u6sA:
20.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 THR A  58
THR A 212
LEU A 401
LEU A 404
 SAH  A 502 (-4.2A)
NAD  A 501 ( 4.1A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 4.7A)
 0.45A 4lvcB-5utuA:
54.7		 4lvcB-5utuA:
51.28
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.
5v76 MICROCOMPARTMENTS
PROTEIN

(Haliangium
ochraceum) 		no annotation 4 GLN A  21
THR A 169
LEU A   9
LEU A  12
 None
 0.95A 4lvcB-5v76A:
undetectable		 4lvcB-5v76A:
19.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 THR A  64
THR A 198
LEU A 386
LEU A 389
 ADN  A 502 (-4.4A)
NAD  A 501 ( 2.9A)
NAD  A 501 (-3.9A)
ADN  A 502 ( 4.7A)
 0.18A 4lvcB-5v96A:
60.6		 4lvcB-5v96A:
62.47
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.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 4 GLN A 395
THR A 392
LEU A 366
LEU A 362
 None
 0.91A 4lvcB-5ve8A:
undetectable		 4lvcB-5ve8A:
18.62
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.
5xua METHYL-ACCEPTING
CHEMOTAXIS SENSORY
TRANSDUCER

(Comamonas
testosteroni) 		no annotation 4 THR A  82
THR A 108
LEU A 176
LEU A 173
 None
 1.08A 4lvcB-5xuaA:
undetectable		 4lvcB-5xuaA:
10.88
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.
5z9y THIAZOLE SYNTHASE

(Mycobacterium
tuberculosis) 		no annotation 4 GLN A  32
THR A  21
LEU A  61
LEU A  64
 None
 1.01A 4lvcB-5z9yA:
2.4		 4lvcB-5z9yA:
11.50
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 GLN A  62
THR A  63
THR A 162
LEU A 349
LEU A 352
 ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
NAD  A 500 ( 2.9A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
 0.59A 4lvcB-6aphA:
58.3		 4lvcB-6aphA:
60.62
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 4 GLN L 406
THR L 409
THR L 262
LEU L 413
 None
 1.06A 4lvcB-6ehsL:
undetectable		 4lvcB-6ehsL:
10.55
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.
6ewj PUTATIVE CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 GLN A 271
THR A 203
THR A  52
LEU A 175
 None
 1.03A 4lvcB-6ewjA:
undetectable		 4lvcB-6ewjA:
10.90
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.
6f3m -

(-) 		no annotation 5 GLN B  65
THR B  66
THR B 165
LEU B 373
LEU B 376
 K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
NAD  B 501 ( 2.8A)
NAD  B 501 ( 3.9A)
ADN  B 502 ( 4.8A)
 0.25A 4lvcB-6f3mB:
53.4		 4lvcB-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 5 GLN A  60
THR A  61
THR A 160
LEU A 347
LEU A 350
 NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
NAD  A 502 ( 2.8A)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
 0.19A 4lvcB-6gbnA:
58.3		 4lvcB-6gbnA:
undetectable