SIMILAR PATTERNS OF AMINO ACIDS FOR 3LD6_A_KKKA602

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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		5 TYR B 274
PHE B 260
GLY A 223
THR A 204
ILE A 199
 None
 0.89A 3ld6A-1b5fB:
undetectable		 3ld6A-1b5fB:
10.63
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.
1cpt CYTOCHROME P450-TERP

(Pseudomonas sp.) 		PF00067
(p450) 		5 PHE A 153
PHE A 390
GLY A 277
ALA A 279
ILE A 300
 None
 1.41A 3ld6A-1cptA:
32.4		 3ld6A-1cptA:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		5 GLY A  16
ALA A 317
THR A 319
ILE A 159
ILE A 139
 None
 1.14A 3ld6A-1dctA:
0.0		 3ld6A-1dctA:
19.52
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.
1f07 COENZYME
F420-DEPENDENT
N5,N10-METHYLENETETR
AHYDROMETHANOPTERIN
REDUCTASE

(Methanothermobacter
thermautotrophicus) 		PF00296
(Bac_luciferase) 		5 PHE A 236
PHE A 273
GLY A 246
ALA A 229
ILE A 170
 None
None
None
None
MPD  A 335 (-4.8A)
 1.32A 3ld6A-1f07A:
0.0		 3ld6A-1f07A:
20.25
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 TYR A 399
GLY A 734
ALA A 736
THR A 729
ILE A 392
 None
 1.34A 3ld6A-1h17A:
0.0		 3ld6A-1h17A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hr7 MITOCHONDRIAL
PROCESSING PEPTIDASE
BETA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 PHE B 163
GLY B 337
ALA B 271
THR B 170
ILE B 258
 None
 1.17A 3ld6A-1hr7B:
0.0		 3ld6A-1hr7B:
22.00
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.
1kkr 3-METHYLASPARTATE
AMMONIA-LYASE

(Citrobacter
amalonaticus) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		5 PHE A 170
GLY A 174
ALA A 195
ILE A 272
ILE A 304
 None
 1.41A 3ld6A-1kkrA:
0.0		 3ld6A-1kkrA:
21.49
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.
1pw4 GLYCEROL-3-PHOSPHATE
TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		5 TYR A 266
TYR A 270
THR A 306
ILE A 368
MET A 329
 None
 1.21A 3ld6A-1pw4A:
0.0		 3ld6A-1pw4A:
23.17
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 TYR A 218
GLY A 246
ALA A 356
THR A 323
ILE A  86
 None
PCD  A1920 (-3.2A)
PCD  A1920 ( 4.2A)
None
None
 1.26A 3ld6A-1sb3A:
undetectable		 3ld6A-1sb3A:
21.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 PHE A  83
ALA A 256
THR A 260
ILE A 323
MET A 325
 None
ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
None
None
 0.99A 3ld6A-1x8vA:
41.5		 3ld6A-1x8vA:
34.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 TYR A  76
PHE A  83
THR A 260
ILE A 323
MET A 325
 ESL  A 471 ( 3.8A)
None
HEM  A 470 (-3.6A)
None
None
 0.99A 3ld6A-1x8vA:
41.5		 3ld6A-1x8vA:
34.32
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.
1x9n DNA LIGASE I

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 PHE A 660
GLY A 571
ALA A 622
ILE A 576
ILE A 617
 None
 1.10A 3ld6A-1x9nA:
undetectable		 3ld6A-1x9nA:
21.79
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.
1xr6 GENOME POLYPROTEIN

(Rhinovirus A) 		PF00680
(RdRP_1) 		5 TYR A 238
PHE A 233
GLY A 346
ILE A 322
ILE A 323
 None
 1.08A 3ld6A-1xr6A:
undetectable		 3ld6A-1xr6A:
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.
1zbm HYPOTHETICAL PROTEIN
AF1704

(Archaeoglobus
fulgidus) 		PF02621
(VitK2_biosynth) 		5 PHE A 191
PHE A  17
ALA A  72
THR A 237
ILE A  38
 None
 1.41A 3ld6A-1zbmA:
undetectable		 3ld6A-1zbmA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		5 PHE A 205
GLY A 238
ALA A 240
ILE A 281
ILE A 188
 None
 1.39A 3ld6A-2bfeA:
undetectable		 3ld6A-2bfeA:
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.
2bfr HYPOTHETICAL PROTEIN
AF1521

(Archaeoglobus
fulgidus) 		PF01661
(Macro) 		5 GLY A  42
ALA A  46
THR A  22
ILE A  29
ILE A 135
 ADP  A1193 (-3.1A)
ADP  A1193 (-3.4A)
ADP  A1193 ( 4.9A)
None
None
 1.34A 3ld6A-2bfrA:
undetectable		 3ld6A-2bfrA:
17.21
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.
2bmy RIPENING-ASSOCIATED
PROTEIN

(Musa acuminata) 		PF01419
(Jacalin) 		5 PHE A  18
GLY A 128
ILE A  31
ILE A  65
MET A  76
 None
 1.33A 3ld6A-2bmyA:
undetectable		 3ld6A-2bmyA:
13.62
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.
2chq REPLICATION FACTOR C
SMALL SUBUNIT

(Archaeoglobus
fulgidus) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 PHE A 197
GLY A  21
ALA A 165
ILE A 190
ILE A 192
 ANP  A 700 (-4.0A)
None
None
None
None
 1.12A 3ld6A-2chqA:
undetectable		 3ld6A-2chqA:
20.76
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.
2d1g ACID PHOSPHATASE

(Francisella
tularensis) 		PF04185
(Phosphoesterase) 		5 GLY A 345
ALA A 343
ILE A  40
ILE A 382
MET A 417
 None
 1.28A 3ld6A-2d1gA:
undetectable		 3ld6A-2d1gA:
21.76
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.
2g5d GNA33

(Neisseria
gonorrhoeae) 		PF03562
(MltA)
PF06725
(3D) 		5 PHE A 105
ALA A  89
THR A 351
ILE A 389
MET A 354
 None
 1.17A 3ld6A-2g5dA:
undetectable		 3ld6A-2g5dA:
22.54
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.
2hur NUCLEOSIDE
DIPHOSPHATE KINASE

(Escherichia
coli) 		PF00334
(NDK) 		5 GLY A  49
ALA A  47
THR A  68
ILE A  72
ILE A  10
 None
 1.25A 3ld6A-2hurA:
undetectable		 3ld6A-2hurA:
16.04
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.
2jgv TAGATOSE-6-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 GLY A  57
ALA A  55
THR A  43
ILE A   2
ILE A 264
 None
 1.35A 3ld6A-2jgvA:
undetectable		 3ld6A-2jgvA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2osy ENDOGLYCOCERAMIDASE
II

(Rhodococcus sp.) 		PF00150
(Cellulase) 		5 PHE A 191
ALA A 160
THR A 165
ILE A 143
MET A 188
 None
 1.27A 3ld6A-2osyA:
undetectable		 3ld6A-2osyA:
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.
2pbj PROSTAGLANDIN E
SYNTHASE 2

(Macaca
fascicularis) 		PF13417
(GST_N_3) 		5 TYR A 107
PHE A 261
PHE A 270
GLY A 282
ILE A 140
 HEM  A 476 (-4.0A)
None
None
None
None
 1.20A 3ld6A-2pbjA:
undetectable		 3ld6A-2pbjA:
21.56
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.
2q2h SECRETION CHAPERONE,
PHAGE-DISPLAY
DERIVED PEPTIDE

(Agrobacterium
fabrum) 		PF01588
(tRNA_bind) 		5 PHE A  81
ALA A  51
THR A  87
ILE A  38
ILE A  46
 CIT  A 601 (-4.6A)
None
None
None
None
 1.38A 3ld6A-2q2hA:
undetectable		 3ld6A-2q2hA:
15.25
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.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 PHE A   2
PHE A  52
ALA A 184
ILE A  23
ILE A  24
 None
None
None
None
FAD  A 609 ( 4.9A)
 1.12A 3ld6A-2rghA:
undetectable		 3ld6A-2rghA:
21.53
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.
2w2k D-MANDELATE
DEHYDROGENASE

(Rhodotorula
graminis) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 PHE B  91
TYR B  67
PHE B 106
ALA B  87
THR B 320
 None
 1.25A 3ld6A-2w2kB:
undetectable		 3ld6A-2w2kB:
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.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 PHE A 235
GLY A 232
THR A  36
ILE A 104
ILE A 152
 None
 1.39A 3ld6A-2z4gA:
undetectable		 3ld6A-2z4gA:
20.17
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.
3bjs MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A 294
GLY A 319
ALA A 323
ILE A 282
MET A 297
 None
 1.14A 3ld6A-3bjsA:
undetectable		 3ld6A-3bjsA:
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.
3bjs MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A 294
GLY A 319
ALA A 323
ILE A 331
MET A 297
 None
 1.15A 3ld6A-3bjsA:
undetectable		 3ld6A-3bjsA:
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.
3c4q PREDICTED
GLYCOSYLTRANSFERASES

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 TYR A 402
GLY A  39
ALA A  36
ILE A  44
ILE A   6
 None
 1.23A 3ld6A-3c4qA:
undetectable		 3ld6A-3c4qA:
22.94
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.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 PHE A 275
GLY A  35
ALA A  38
ILE A  52
ILE A 271
 None
None
None
None
NAP  A 327 (-4.9A)
 1.17A 3ld6A-3cavA:
undetectable		 3ld6A-3cavA:
22.71
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.
3dsm UNCHARACTERIZED
PROTEIN BACUNI_02894

(Bacteroides
uniformis) 		no annotation 5 PHE A 105
GLY A  70
ALA A  82
ILE A 124
ILE A 123
 None
 1.40A 3ld6A-3dsmA:
undetectable		 3ld6A-3dsmA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB11
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3

(Schizosaccharomyces
pombe) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF13656
(RNA_pol_L_2) 		5 PHE C  19
TRP K 108
ALA C  29
THR C  24
ILE K 100
 None
 1.30A 3ld6A-3h0gC:
undetectable		 3ld6A-3h0gC:
18.59
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.
3h9m P-AMINOBENZOATE
SYNTHETASE,
COMPONENT I

(Cytophaga
hutchinsonii) 		PF00425
(Chorismate_bind) 		5 PHE A 394
GLY A 104
ALA A 358
ILE A 351
MET A 339
 None
 1.38A 3ld6A-3h9mA:
undetectable		 3ld6A-3h9mA:
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.
3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2

(Salmonella
enterica) 		PF04131
(NanE) 		5 GLY A 106
ALA A 131
THR A 129
ILE A 101
ILE A  69
 None
 1.32A 3ld6A-3igsA:
undetectable		 3ld6A-3igsA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ipc ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (AMINO ACID)

(Agrobacterium
fabrum) 		PF13458
(Peripla_BP_6) 		5 PHE A  65
GLY A  58
ALA A  85
ILE A 286
MET A 283
 None
 1.20A 3ld6A-3ipcA:
undetectable		 3ld6A-3ipcA:
21.96
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.
3k6j PROTEIN F01G10.3,
CONFIRMED BY
TRANSCRIPT EVIDENCE

(Caenorhabditis
elegans) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 PHE A  58
PHE A 174
ALA A 203
ILE A 186
ILE A 187
 None
 1.12A 3ld6A-3k6jA:
undetectable		 3ld6A-3k6jA:
22.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 TYR A 103
PHE A 110
ALA A 291
THR A 295
MET A 360
 None
None
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
 0.81A 3ld6A-3kswA:
27.5		 3ld6A-3kswA:
36.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 TYR A 103
PHE A 110
ALA A 291
THR A 295
MET A 460
 None
None
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
 1.07A 3ld6A-3kswA:
27.5		 3ld6A-3kswA:
36.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 TYR A 103
PHE A 110
TYR A 116
ALA A 291
MET A 360
 None
None
VNF  A 490 (-4.6A)
VNF  A 490 ( 4.0A)
None
 0.90A 3ld6A-3kswA:
27.5		 3ld6A-3kswA:
36.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		5 TYR A 102
TYR A 115
ALA A 290
THR A 294
MET A 359
 HEM  A 481 (-4.7A)
HEM  A 481 ( 4.9A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
None
 0.64A 3ld6A-3l4dA:
46.0		 3ld6A-3l4dA:
35.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3msu CITRATE SYNTHASE

(Francisella
tularensis) 		PF00285
(Citrate_synt) 		5 TYR A  88
TYR A 196
PHE A 109
ALA A 164
MET A 226
 OAA  A 430 (-4.4A)
OAA  A 430 (-4.5A)
OAA  A 430 (-4.5A)
None
None
 1.36A 3ld6A-3msuA:
undetectable		 3ld6A-3msuA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3td7 FAD-LINKED
SULFHYDRYL OXIDASE
R596

(Acanthamoeba
polyphaga
mimivirus) 		PF04777
(Evr1_Alr) 		5 PHE A 113
ALA A 119
THR A  96
ILE A  91
ILE A  72
 None
 1.20A 3ld6A-3td7A:
undetectable		 3ld6A-3td7A:
19.70
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.
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum) 		PF13407
(Peripla_BP_4) 		5 TYR A 150
GLY A 112
ALA A 116
THR A 120
ILE A 134
 None
 1.29A 3ld6A-3uugA:
undetectable		 3ld6A-3uugA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wyw GLUTATHIONE
S-TRANSFERASE

(Nilaparvata
lugens) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 PHE A 110
GLY A 207
ALA A 170
ILE A 165
ILE A 161
 None
 1.41A 3ld6A-3wywA:
undetectable		 3ld6A-3wywA:
20.71
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.
4abk POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF01661
(Macro) 		5 GLY A1257
ALA A1261
THR A1237
ILE A1244
ILE A1326
 AR6  A2389 (-3.4A)
AR6  A2389 (-3.5A)
None
None
None
 1.33A 3ld6A-4abkA:
undetectable		 3ld6A-4abkA:
16.96
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.
4crn ERF1 IN
RIBOSOME-BOUND
ERF1-ERF3-GDPNP
COMPLEX
ERF3 IN RIBOSOME
BOUND
ERF1-ERF3-GDPNP
COMPLEX

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		5 PHE X 401
PHE X 298
GLY X 400
ALA P 596
ILE P 593
 None
 1.41A 3ld6A-4crnX:
undetectable		 3ld6A-4crnX:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4u MANDALATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A 267
GLY A 287
ALA A 292
ILE A 306
ILE A 278
 None
 1.08A 3ld6A-4e4uA:
undetectable		 3ld6A-4e4uA:
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.
4fbz DELTARHODOPSIN

(Haloterrigena
thermotolerans) 		PF01036
(Bac_rhodopsin) 		5 GLY A  64
ALA A  58
ILE A  51
ILE A  48
MET A  19
 None
 1.38A 3ld6A-4fbzA:
undetectable		 3ld6A-4fbzA:
19.74
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.
4fdj N-ACETYLGALACTOSAMIN
E-6-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 TYR A 254
GLY A 201
ALA A 241
THR A 206
ILE A 261
 None
 1.29A 3ld6A-4fdjA:
undetectable		 3ld6A-4fdjA:
24.43
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.
4fwg TTC1975 PEPTIDASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C)
PF13654
(AAA_32) 		5 GLY A 614
ALA A 677
ILE A 645
ILE A 671
MET A   1
 None
 1.05A 3ld6A-4fwgA:
undetectable		 3ld6A-4fwgA:
21.14
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.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 PHE A 395
GLY A 499
ALA A 501
THR A 334
ILE A 324
 None
NAG  A1010 ( 4.4A)
None
None
None
 1.14A 3ld6A-4fysA:
undetectable		 3ld6A-4fysA:
17.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		5 PHE A 110
TYR A 116
ALA A 291
THR A 295
MET A 360
 VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 (-4.5A)
 0.89A 3ld6A-4g3jA:
45.7		 3ld6A-4g3jA:
35.47
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 PHE A 617
PHE A 559
GLY A 460
ALA A 457
THR A 448
 None
 1.15A 3ld6A-4gfhA:
undetectable		 3ld6A-4gfhA:
16.81
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.
4ina SACCHAROPINE
DEHYDROGENASE

(Wolinella
succinogenes) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 PHE A 183
THR A 306
ILE A 308
ILE A 167
MET A 251
 None
 1.28A 3ld6A-4inaA:
undetectable		 3ld6A-4inaA:
22.52
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.
4irn PROLYL-ACP
DEHYDROGENASE

([Oscillatoria]
sp. PCC 6506) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 TRP A  94
GLY A 162
ALA A 165
ILE A  55
MET A  98
 None
 1.05A 3ld6A-4irnA:
undetectable		 3ld6A-4irnA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jkx BETA-GALACTOSIDE-SPE
CIFIC LECTIN 1 A
CHAIN

(Viscum album) 		PF00161
(RIP) 		5 TYR A  17
PHE A 186
GLY A 183
ILE A 158
ILE A 160
 None
None
None
None
H35  A 305 ( 4.5A)
 1.41A 3ld6A-4jkxA:
undetectable		 3ld6A-4jkxA:
18.84
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.
4kh3 ANTIGEN 43

(Escherichia
coli) 		PF16168
(AIDA) 		5 TYR A 207
GLY A 194
ALA A 196
THR A 182
ILE A 184
 None
 1.38A 3ld6A-4kh3A:
undetectable		 3ld6A-4kh3A:
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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		5 TYR A 604
PHE A  28
GLY A  25
ALA A 331
THR A 337
 None
 1.33A 3ld6A-4mifA:
undetectable		 3ld6A-4mifA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE

(Magnetospirillum
magneticum) 		PF00378
(ECH_1) 		5 PHE A 162
GLY A 104
ALA A 102
THR A 122
ILE A 173
 None
 1.19A 3ld6A-4nekA:
undetectable		 3ld6A-4nekA:
17.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pfy ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 TYR A  29
TRP A 523
GLY A 236
ALA A 234
ILE A 223
 None
 1.33A 3ld6A-4pfyA:
undetectable		 3ld6A-4pfyA:
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		5 TYR A 261
GLY A 247
ALA A 249
THR A 234
ILE A 236
 None
 1.39A 3ld6A-4q1qA:
undetectable		 3ld6A-4q1qA:
19.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		6 PHE A 139
GLY A 307
ALA A 311
THR A 315
ILE A 379
MET A 487
 VFV  A 580 (-4.2A)
VFV  A 580 (-2.9A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
VFV  A 600 (-4.7A)
VFV  A 580 (-3.6A)
 0.97A 3ld6A-4uhiA:
61.6		 3ld6A-4uhiA:
99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 139
TRP A 239
THR A 315
ILE A 379
MET A 487
 VFV  A 580 (-4.2A)
VFV  A 580 ( 3.5A)
HEM  A 540 (-3.6A)
VFV  A 600 (-4.7A)
VFV  A 580 (-3.6A)
 1.30A 3ld6A-4uhiA:
61.6		 3ld6A-4uhiA:
99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		6 TYR A 131
PHE A 139
PHE A 234
TRP A 239
THR A 315
ILE A 379
 VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
VFV  A 580 (-3.5A)
VFV  A 580 ( 3.5A)
HEM  A 540 (-3.6A)
VFV  A 600 (-4.7A)
 1.17A 3ld6A-4uhiA:
61.6		 3ld6A-4uhiA:
99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		10 TYR A 131
PHE A 139
TYR A 145
PHE A 234
GLY A 307
ALA A 311
THR A 315
ILE A 377
ILE A 379
MET A 381
 VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
HEM  A 540 (-4.5A)
VFV  A 580 (-3.5A)
VFV  A 580 (-2.9A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
HEM  A 540 ( 3.9A)
VFV  A 600 (-4.7A)
VFV  A 600 (-3.8A)
 0.77A 3ld6A-4uhiA:
61.6		 3ld6A-4uhiA:
99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		6 TYR A 122
PHE A 130
TYR A 136
PHE A 229
ALA A 307
ILE A 373
 VOR  A 590 (-3.8A)
VOR  A 590 (-4.6A)
HEM  A 580 (-4.6A)
None
VOR  A 590 ( 4.0A)
HEM  A 580 (-4.1A)
 0.82A 3ld6A-4uymA:
48.4		 3ld6A-4uymA:
39.63
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.
4y96 TRIOSEPHOSPHATE
ISOMERASE

(Gemmata
obscuriglobus) 		PF00121
(TIM) 		5 TYR A 152
PHE A 163
GLY A 203
ALA A 207
ILE A 168
 None
None
CA  A 304 ( 4.2A)
None
None
 1.13A 3ld6A-4y96A:
undetectable		 3ld6A-4y96A:
21.01
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.
4yep LAMININ SUBUNIT
ALPHA-2

(Homo sapiens) 		PF00052
(Laminin_B) 		5 PHE A1329
GLY A1250
ALA A1248
ILE A1339
ILE A1275
 None
None
None
None
EDO  A1405 ( 3.6A)
 1.07A 3ld6A-4yepA:
undetectable		 3ld6A-4yepA:
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.
4yep LAMININ SUBUNIT
ALPHA-2

(Homo sapiens) 		PF00052
(Laminin_B) 		5 PHE A1329
GLY A1251
ALA A1248
ILE A1339
ILE A1275
 None
None
None
None
EDO  A1405 ( 3.6A)
 1.35A 3ld6A-4yepA:
undetectable		 3ld6A-4yepA:
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.
4yeq LAMININ SUBUNIT
ALPHA-2

(Homo sapiens) 		PF00052
(Laminin_B) 		5 PHE U 154
GLY U  75
ALA U  73
ILE U 164
ILE U 100
 None
 0.89A 3ld6A-4yeqU:
undetectable		 3ld6A-4yeqU:
18.16
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.
4zpj EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Sphaerobacter
thermophilus) 		PF13458
(Peripla_BP_6) 		5 GLY A 129
ALA A 134
THR A 138
ILE A 150
ILE A  83
 None
 1.21A 3ld6A-4zpjA:
undetectable		 3ld6A-4zpjA:
23.00
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.
5dkv ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		5 PHE A  73
GLY A  40
ALA A  96
THR A 119
ILE A 124
 T6T  A 401 ( 4.5A)
None
None
None
None
 1.26A 3ld6A-5dkvA:
undetectable		 3ld6A-5dkvA:
20.17
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.
5e5d PEPTIDE DEFORMYLASE

(Xanthomonas
oryzae) 		PF01327
(Pep_deformylase) 		5 PHE A  63
PHE A 134
TRP A  96
GLY A  62
ILE A 109
 None
 1.41A 3ld6A-5e5dA:
undetectable		 3ld6A-5e5dA:
18.14
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.
5fgu GREEN FLUORESCENT
PROTEIN,EXTRACELLULA
R STREPTODORNASE D

(Aequorea
victoria;
Streptococcus
pyogenes) 		PF01353
(GFP)
PF13930
(Endonuclea_NS_2) 		5 TYR A1096
GLY A1188
ALA A1191
ILE A1112
ILE A1111
 None
SO4  A1403 (-3.7A)
SO4  A1403 (-3.9A)
None
None
 0.99A 3ld6A-5fguA:
undetectable		 3ld6A-5fguA:
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.
5fgw EXTRACELLULAR
STREPTODORNASE D

(Streptococcus
pyogenes) 		PF01223
(Endonuclease_NS) 		5 TYR A  96
GLY A 188
ALA A 191
ILE A 112
ILE A 111
 None
ZN  A 302 ( 4.5A)
None
None
None
 1.01A 3ld6A-5fgwA:
undetectable		 3ld6A-5fgwA:
19.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		6 TYR A 118
PHE A 126
TYR A 132
PHE A 228
GLY A 303
THR A 311
 X2N  A 590 ( 4.0A)
X2N  A 590 (-4.8A)
HEM  A 580 (-4.1A)
X2N  A 590 (-4.9A)
X2N  A 590 ( 4.8A)
HEM  A 580 (-3.6A)
 0.94A 3ld6A-5fsaA:
46.5		 3ld6A-5fsaA:
39.88
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.
5fsz MACRODOMAIN

(Trypanosoma
cruzi) 		PF01661
(Macro) 		5 GLY A 123
ALA A 127
THR A 103
ILE A 110
ILE A 197
 None
 1.36A 3ld6A-5fszA:
undetectable		 3ld6A-5fszA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hdm GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3) 		5 PHE A 366
PHE A 401
GLY A 365
THR A 411
ILE A 420
 None
 1.29A 3ld6A-5hdmA:
undetectable		 3ld6A-5hdmA:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		6 TYR A 126
PHE A 134
TYR A 140
GLY A 310
THR A 318
MET A 509
 VOR  A 602 ( 3.8A)
VOR  A 602 (-4.7A)
HEM  A 601 (-4.3A)
VOR  A 602 (-4.3A)
HEM  A 601 (-3.4A)
VOR  A 602 ( 4.2A)
 0.59A 3ld6A-5hs1A:
45.6		 3ld6A-5hs1A:
35.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		6 TYR A 126
PHE A 134
TYR A 140
PHE A 236
GLY A 310
THR A 318
 VOR  A 602 ( 3.8A)
VOR  A 602 (-4.7A)
HEM  A 601 (-4.3A)
VOR  A 602 (-4.4A)
VOR  A 602 (-4.3A)
HEM  A 601 (-3.4A)
 0.74A 3ld6A-5hs1A:
45.6		 3ld6A-5hs1A:
35.73
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.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 PHE A 948
GLY A 906
ALA A 920
THR A 939
ILE A 965
 None
 1.39A 3ld6A-5hy7A:
undetectable		 3ld6A-5hy7A:
17.14
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.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		5 PHE A 509
ALA A 193
THR A 195
ILE A 204
ILE A 127
 None
 1.24A 3ld6A-5jfmA:
undetectable		 3ld6A-5jfmA:
20.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		6 TYR A 127
PHE A 135
TYR A 141
PHE A 237
GLY A 311
THR A 319
 1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.6A)
HEM  A 601 (-4.2A)
1YN  A 602 (-4.5A)
1YN  A 602 (-3.9A)
HEM  A 601 ( 3.5A)
 0.75A 3ld6A-5jlcA:
45.1		 3ld6A-5jlcA:
35.95
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 PHE A 173
GLY A  82
ALA A 110
ILE A 121
MET A 124
 None
 1.34A 3ld6A-5kvaA:
undetectable		 3ld6A-5kvaA:
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.
5mpx MULTIPLE ORGANELLAR
RNA EDITING FACTOR
1, MITOCHONDRIAL

(Arabidopsis
thaliana) 		no annotation 5 TYR A 112
PHE A 154
GLY A 119
ALA A 117
ILE A 186
 None
 1.29A 3ld6A-5mpxA:
undetectable		 3ld6A-5mpxA:
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.
5mz8 ALDEHYDE
DEHYDROGENASE 21

(Physcomitrella
patens) 		PF00171
(Aldedh) 		5 TYR A 405
GLY A 365
ALA A 360
ILE A 397
MET A 305
 None
 1.30A 3ld6A-5mz8A:
undetectable		 3ld6A-5mz8A:
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.
5ui3 DIHYDRODIPICOLINATE
SYNTHASE

(Chlamydomonas
reinhardtii) 		no annotation 5 PHE D 116
GLY D 149
ALA D 151
ILE D  63
ILE D  32
 None
None
None
AKG  D 401 ( 4.9A)
None
 1.06A 3ld6A-5ui3D:
undetectable		 3ld6A-5ui3D:
10.42
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.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 PHE A 515
ALA A 429
THR A 385
ILE A 362
ILE A 364
 None
 1.31A 3ld6A-5vrbA:
undetectable		 3ld6A-5vrbA:
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.
5w3w ARYLDIALKYLPHOSPHATA
SE

(Sulfolobus
solfataricus) 		no annotation 5 GLY A 144
ALA A 140
THR A 169
ILE A 197
ILE A 209
 None
 1.40A 3ld6A-5w3wA:
undetectable		 3ld6A-5w3wA:
10.18
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.
5x00 NUCLEOSIDE
DIPHOSPHATE KINASE

(Vibrio cholerae) 		no annotation 5 GLY A  49
ALA A  47
THR A  68
ILE A  72
ILE A  10
 None
 1.27A 3ld6A-5x00A:
undetectable		 3ld6A-5x00A:
13.57
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.
5xjh POLY(ETHYLENE
TEREPHTHALATE)
HYDROLASE

(Ideonella
sakaiensis) 		no annotation 5 TRP A  97
ALA A  65
ILE A 109
ILE A  81
MET A 157
 None
 1.05A 3ld6A-5xjhA:
undetectable		 3ld6A-5xjhA:
10.79
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.
5xtc NADH DEHYDROGENASE
[UBIQUINONE] 1
SUBUNIT C2
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Homo sapiens) 		no annotation 5 PHE g  67
GLY g  37
ALA i 331
THR i 334
ILE i 209
 PLX  g 203 (-4.3A)
None
None
CDL  i 401 ( 4.3A)
PLX  g 201 ( 4.6A)
 1.20A 3ld6A-5xtcg:
undetectable		 3ld6A-5xtcg:
13.42
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.
6ane POLY(ETHYLENE
TEREPHTHALATE)
HYDROLASE

(Ideonella
sakaiensis) 		no annotation 5 TRP A  70
ALA A  38
ILE A  82
ILE A  54
MET A 130
 None
 1.05A 3ld6A-6aneA:
undetectable		 3ld6A-6aneA:
10.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 6 TYR A 107
PHE A 114
TYR A 120
ALA A 293
THR A 297
MET A 362
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
None
 0.79A 3ld6A-6ay4A:
49.2		 3ld6A-6ay4A:
40.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 6 TYR A 107
TYR A 120
GLY A 290
ALA A 293
THR A 297
MET A 362
 TPF  A 506 (-4.2A)
None
TPF  A 506 ( 4.6A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
None
 1.01A 3ld6A-6ay4A:
49.2		 3ld6A-6ay4A:
40.88
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.
6az1 RIBOSOMAL PROTEIN
S4E

(Leishmania
donovani) 		no annotation 5 GLY E 190
ALA E 177
ILE E 170
ILE E 157
MET E 121
 None
None
G  1 789 ( 4.6A)
None
None
 1.42A 3ld6A-6az1E:
undetectable		 3ld6A-6az1E:
10.42
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.
6bq9 DNA TOPOISOMERASE 4
SUBUNIT A

(Pseudomonas
putida) 		no annotation 5 TYR A 102
GLY A 109
ALA A 130
THR A  73
ILE A  52
 None
 1.27A 3ld6A-6bq9A:
undetectable		 3ld6A-6bq9A:
13.25
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.
6ekv TOXIN COMPLEX
COMPONENT ORF-X2

(Clostridium
botulinum) 		no annotation 5 PHE A 508
GLY A 565
ALA A 660
ILE A 666
ILE A 487
 None
 1.29A 3ld6A-6ekvA:
undetectable		 3ld6A-6ekvA:
21.10