SIMILAR PATTERNS OF AMINO ACIDS FOR 2X2N_C_X2NC1479

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.
1k2f SIAH-1A PROTEIN

(Mus musculus) 		PF03145
(Sina) 		5 PHE A 259
ALA A 264
ALA A 268
LEU A 166
MET A 180
 None
 1.08A 2x2nC-1k2fA:
undetectable		 2x2nC-1k2fA:
15.81
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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		5 MET A 288
PHE A   7
VAL A 230
THR A  80
LEU A 240
 None
 1.33A 2x2nC-1l2qA:
undetectable		 2x2nC-1l2qA:
21.59
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.
1ndl NUCLEOSIDE
DIPHOSPHATE KINASE

(Drosophila
melanogaster) 		PF00334
(NDK) 		5 MET A  11
PHE A   9
PRO A  14
VAL A  17
MET A  69
 None
 1.31A 2x2nC-1ndlA:
undetectable		 2x2nC-1ndlA:
17.12
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.
1nrz PTS SYSTEM,
SORBOSE-SPECIFIC IIB
COMPONENT

(Klebsiella
pneumoniae) 		PF03830
(PTSIIB_sorb) 		5 PRO A  87
VAL A  90
ALA A 120
THR A 118
LEU A 143
 None
 0.98A 2x2nC-1nrzA:
undetectable		 2x2nC-1nrzA:
14.85
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.
1q18 GLUCOKINASE

(Escherichia
coli) 		PF02685
(Glucokinase) 		5 PHE A 101
VAL A 300
ALA A 142
ALA A 131
THR A 254
 None
 1.25A 2x2nC-1q18A:
undetectable		 2x2nC-1q18A:
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.
1qi7 PROTEIN
(N-GLYCOSIDASE)

(Saponaria
officinalis) 		PF00161
(RIP) 		5 PHE A 191
PRO A 192
VAL A 187
LEU A   8
MET A 173
 None
 1.32A 2x2nC-1qi7A:
0.0		 2x2nC-1qi7A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uf2 CORE PROTEIN P3

(Rice dwarf
virus) 		PF09231
(RDV-p3) 		5 PHE A 778
VAL A 921
ALA A 813
ALA A 817
LEU A 907
 None
 1.31A 2x2nC-1uf2A:
0.3		 2x2nC-1uf2A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		5 MET A  43
ALA A  55
ALA A  59
THR A  63
LEU A 111
 BRF  A1397 (-4.1A)
BRF  A1397 (-3.2A)
BRF  A1397 (-3.5A)
BRF  A1397 ( 4.7A)
None
 1.06A 2x2nC-1uuoA:
undetectable		 2x2nC-1uuoA:
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.
1vky S-ADENOSYLMETHIONINE
:TRNA
RIBOSYLTRANSFERASE-I
SOMERASE

(Thermotoga
maritima) 		PF02547
(Queuosine_synth) 		5 PHE A  43
ALA A 286
ALA A 246
THR A 251
LEU A  58
 None
 1.20A 2x2nC-1vkyA:
0.0		 2x2nC-1vkyA:
22.75
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) 		6 MET A  79
PHE A  83
ALA A 256
THR A 260
LEU A 321
MET A 325
 ESL  A 471 ( 4.4A)
None
ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
HEM  A 470 (-4.1A)
None
 1.13A 2x2nC-1x8vA:
38.5		 2x2nC-1x8vA:
31.90
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) 		6 PHE A  78
MET A  79
PHE A  83
ALA A 256
LEU A 321
MET A 325
 ESL  A 471 ( 4.9A)
ESL  A 471 ( 4.4A)
None
ESL  A 471 ( 3.4A)
HEM  A 470 (-4.1A)
None
 1.14A 2x2nC-1x8vA:
38.5		 2x2nC-1x8vA:
31.90
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 PHE A 634
PHE A 639
ALA A 651
ALA A 653
LEU A 601
 HEM  A 901 ( 4.7A)
None
None
None
None
 1.27A 2x2nC-1yiqA:
undetectable		 2x2nC-1yiqA:
20.92
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.
1ym5 HYPOTHETICAL 32.6
KDA PROTEIN IN
DAP2-SLT2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF02567
(PhzC-PhzF) 		5 PHE A  13
MET A 264
VAL A  12
ALA A 233
THR A 158
 None
 1.25A 2x2nC-1ym5A:
undetectable		 2x2nC-1ym5A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f00 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 TYR A 141
PRO A 187
ALA A 300
ALA A 302
THR A 248
 None
 1.26A 2x2nC-2f00A:
undetectable		 2x2nC-2f00A:
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.
2mvu ACTINORHODIN
POLYKETIDE SYNTHASE
ACYL CARRIER PROTEIN

(Streptomyces
coelicolor) 		PF00550
(PP-binding) 		5 PHE A  35
PRO A  71
VAL A  68
ALA A  18
LEU A  52
 None
 1.24A 2x2nC-2mvuA:
undetectable		 2x2nC-2mvuA:
10.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pfz PUTATIVE EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF03480
(DctP) 		5 PHE A  23
VAL A  55
ALA A 232
ALA A 228
LEU A 221
 None
 1.34A 2x2nC-2pfzA:
undetectable		 2x2nC-2pfzA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred) 		5 PHE A 415
VAL A 509
ALA A 571
ALA A 575
THR A 579
 None
 1.12A 2x2nC-2pziA:
undetectable		 2x2nC-2pziA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyg RIBULOSE
BISPHOSPHATE
CARBOXYLASE-LIKE
PROTEIN 2

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 TYR A 235
VAL A 282
ALA A 216
ALA A 212
LEU A 249
 None
 1.34A 2x2nC-2qygA:
undetectable		 2x2nC-2qygA:
24.61
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.
2r6r CELL DIVISION
PROTEIN FTSZ

(Aquifex
aeolicus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 PHE 1 326
VAL 1 324
ALA 1 156
ALA 1 126
LEU 1 101
 None
 1.14A 2x2nC-2r6r1:
undetectable		 2x2nC-2r6r1:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v1l HYPOTHETICAL PROTEIN

(Vibrio cholerae) 		PF10980
(DUF2787) 		5 PHE A  45
VAL A  60
ALA A  19
ALA A  22
LEU A  64
 None
 1.31A 2x2nC-2v1lA:
undetectable		 2x2nC-2v1lA:
13.80
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.
2vro ALDEHYDE
DEHYDROGENASE

(Paraburkholderia
xenovorans) 		PF00171
(Aldedh) 		5 PHE A 277
PRO A 272
ALA A 264
ALA A 302
LEU A 313
 None
 1.24A 2x2nC-2vroA:
undetectable		 2x2nC-2vroA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xtl CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		5 PRO A 195
VAL A 197
ALA A 297
ALA A 293
LEU A 286
 None
 1.17A 2x2nC-2xtlA:
undetectable		 2x2nC-2xtlA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xy4 ZINC ABC
TRANSPORTER,
PERIPLASMIC
ZINC-BINDING PROTEIN

(Salmonella
enterica) 		PF01297
(ZnuA) 		5 PHE A 184
TYR A 296
VAL A 195
ALA A 159
ALA A 157
 None
 1.35A 2x2nC-2xy4A:
undetectable		 2x2nC-2xy4A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a2l HALOALKANE
DEHALOGENASE

(Bradyrhizobium
japonicum) 		PF00561
(Abhydrolase_1) 		5 PHE A 128
VAL A 255
ALA A 235
ALA A 238
THR A 268
 None
 1.33A 2x2nC-3a2lA:
undetectable		 2x2nC-3a2lA:
22.65
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.
3dr5 PUTATIVE
O-METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13578
(Methyltransf_24) 		5 PHE A 134
TYR A  73
VAL A 160
ALA A  25
ALA A  29
 None
 1.33A 2x2nC-3dr5A:
undetectable		 2x2nC-3dr5A:
17.86
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.
3g6i PUTATIVE OUTER
MEMBRANE PROTEIN,
PART OF CARBOHYDRATE
BINDING COMPLEX

(Bacteroides
thetaiotaomicron) 		PF12875
(DUF3826) 		5 PHE A 115
TYR A  66
PRO A 116
ALA A 176
ALA A 173
 None
 1.27A 2x2nC-3g6iA:
undetectable		 2x2nC-3g6iA:
18.26
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.
3hpd HYDROXYETHYLTHIAZOLE
KINASE

(Pyrococcus
horikoshii) 		PF02110
(HK) 		5 VAL A  26
ALA A 228
ALA A 224
THR A 220
LEU A 200
 None
 1.30A 2x2nC-3hpdA:
undetectable		 2x2nC-3hpdA:
19.29
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.
3i0z PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Streptococcus
pneumoniae) 		PF01380
(SIS) 		5 PHE A 286
VAL A 207
ALA A 244
THR A  65
MET A 185
 None
 1.00A 2x2nC-3i0zA:
1.9		 2x2nC-3i0zA:
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.
3iac GLUCURONATE
ISOMERASE

(Salmonella
enterica) 		PF02614
(UxaC) 		5 MET A 296
VAL A 377
THR A 279
LEU A 335
MET A 339
 None
 1.30A 2x2nC-3iacA:
undetectable		 2x2nC-3iacA:
22.44
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.
3ig4 XAA-PRO
AMINOPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 PHE A 118
MET A 114
VAL A 123
THR A 142
LEU A 128
 None
 1.01A 2x2nC-3ig4A:
undetectable		 2x2nC-3ig4A:
22.11
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.
3kdw PUTATIVE SUGAR
BINDING PROTEIN

(Bacteroides
vulgatus) 		PF12875
(DUF3826) 		5 PHE A 115
TYR A  67
PRO A 116
ALA A 176
ALA A 173
 None
 1.25A 2x2nC-3kdwA:
undetectable		 2x2nC-3kdwA:
18.34
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.
3kkj AMINE OXIDASE,
FLAVIN-CONTAINING

(Pseudomonas
syringae group
genomosp. 3) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		5 PHE A 192
MET A 265
PRO A 268
ALA A 256
LEU A 231
 None
 1.29A 2x2nC-3kkjA:
undetectable		 2x2nC-3kkjA:
20.99
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 MET A 106
ALA A 287
ALA A 291
THR A 295
MET A 360
 VNF  A 490 ( 3.8A)
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
 0.71A 2x2nC-3kswA:
39.1		 2x2nC-3kswA:
81.82
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 MET A 106
ALA A 291
THR A 295
LEU A 356
MET A 360
 VNF  A 490 ( 3.8A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
None
 0.85A 2x2nC-3kswA:
39.1		 2x2nC-3kswA:
81.82
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) 		6 MET A 106
PHE A 110
VAL A 102
ALA A 287
ALA A 291
THR A 295
 VNF  A 490 ( 3.8A)
None
None
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
 1.40A 2x2nC-3kswA:
39.1		 2x2nC-3kswA:
81.82
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) 		6 MET A 106
PHE A 110
VAL A 102
ALA A 291
THR A 295
LEU A 356
 VNF  A 490 ( 3.8A)
None
None
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
 1.42A 2x2nC-3kswA:
39.1		 2x2nC-3kswA:
81.82
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 MET A 106
TYR A 116
ALA A 287
ALA A 291
MET A 360
 VNF  A 490 ( 3.8A)
VNF  A 490 (-4.6A)
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
None
 0.94A 2x2nC-3kswA:
39.1		 2x2nC-3kswA:
81.82
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) 		12 PHE A 104
MET A 105
PHE A 109
TYR A 115
PRO A 209
VAL A 212
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 359
MET A 459
 None
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
None
None
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
None
TPF  A 490 (-4.7A)
 0.49A 2x2nC-3l4dA:
37.3		 2x2nC-3l4dA:
75.97
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) 		6 PHE A 104
MET A 105
PRO A 209
VAL A 212
ALA A 286
MET A 359
 None
TPF  A 490 ( 4.0A)
None
None
TPF  A 490 (-3.4A)
None
 1.34A 2x2nC-3l4dA:
37.3		 2x2nC-3l4dA:
75.97
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) 		6 PHE A 104
MET A 105
VAL A 101
ALA A 290
THR A 294
LEU A 355
 None
TPF  A 490 ( 4.0A)
None
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 1.34A 2x2nC-3l4dA:
37.3		 2x2nC-3l4dA:
75.97
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) 		6 PHE A 104
TYR A 115
PRO A 209
VAL A 212
ALA A 290
MET A 359
 None
HEM  A 481 ( 4.9A)
None
None
TPF  A 490 ( 3.4A)
None
 1.49A 2x2nC-3l4dA:
37.3		 2x2nC-3l4dA:
75.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m4a PUTATIVE TYPE I
TOPOISOMERASE

(Deinococcus
radiodurans) 		PF01028
(Topoisom_I) 		5 PHE A 136
ALA A 134
ALA A 182
THR A 166
MET A 192
 None
 1.34A 2x2nC-3m4aA:
undetectable		 2x2nC-3m4aA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mes CHOLINE KINASE

(Cryptosporidium
parvum) 		PF01633
(Choline_kinase) 		5 PHE A 199
ALA A 294
ALA A 259
LEU A 417
MET A 240
 None
 1.33A 2x2nC-3mesA:
undetectable		 2x2nC-3mesA:
22.92
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.
3o3o ALPHA-SUBUNIT
2-HYDROXYISOCAPROYL-
COA DEHYDRATASE

(Clostridioides
difficile) 		PF06050
(HGD-D) 		5 MET A 104
TYR A  19
PRO A 107
VAL A  32
ALA A  58
 None
 1.20A 2x2nC-3o3oA:
undetectable		 2x2nC-3o3oA:
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.
3pas TETR FAMILY
TRANSCRIPTION
REGULATOR

(Marinobacter
hydrocarbonoclasticus) 		PF00440
(TetR_N)
PF16295
(TetR_C_10) 		5 PHE A 155
MET A 154
ALA A 187
ALA A 189
LEU A  80
 None
 1.29A 2x2nC-3pasA:
undetectable		 2x2nC-3pasA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 PRO B 345
VAL B 361
ALA A  63
ALA A  61
THR B  21
 None
None
None
SF4  A 501 ( 4.3A)
None
 1.10A 2x2nC-3pdiB:
undetectable		 2x2nC-3pdiB:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pw9 UPF0603 PROTEIN
AT1G54780,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF04536
(TPM_phosphatase) 		5 PHE A 132
TYR A 216
VAL A 100
ALA A 224
LEU A 122
 None
GOL  A 302 ( 4.3A)
SER  A 305 (-4.5A)
None
None
 1.28A 2x2nC-3pw9A:
undetectable		 2x2nC-3pw9A:
15.37
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.
3qta CHEMOTAXIS PROTEIN
CHEC

(Haloarcula
marismortui) 		PF13690
(CheX) 		5 PHE A  79
VAL A  24
ALA A  84
ALA A  88
THR A  92
 None
 1.10A 2x2nC-3qtaA:
undetectable		 2x2nC-3qtaA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT J
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli) 		no annotation 5 PHE N 241
VAL N  21
ALA N 245
ALA N 249
MET J 146
 None
 1.09A 2x2nC-3rkoN:
undetectable		 2x2nC-3rkoN:
23.78
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.
3rqb UNCHARACTERIZED
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF13622
(4HBT_3) 		5 PHE A 109
PHE A 212
ALA A 183
ALA A  43
THR A  13
 None
 1.32A 2x2nC-3rqbA:
undetectable		 2x2nC-3rqbA:
19.40
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.
3siv NHP2-LIKE PROTEIN 1

(Homo sapiens) 		PF01248
(Ribosomal_L7Ae) 		5 PHE A  82
MET A  56
PRO A  12
ALA A  42
LEU A  71
 None
 1.34A 2x2nC-3sivA:
undetectable		 2x2nC-3sivA:
16.29
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.
3wa5 TSE3-SPECIFIC
IMMUNITY PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 PHE B  42
PHE B  24
ALA B 137
ALA B 133
THR B 131
 None
 1.28A 2x2nC-3wa5B:
undetectable		 2x2nC-3wa5B:
15.37
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.
4c4o CARBONYL REDUCTASE
CPCR2

(Candida
parapsilosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 237
PRO A 159
VAL A 260
ALA A 206
ALA A 210
 None
None
None
NAD  A1000 (-3.6A)
None
 1.35A 2x2nC-4c4oA:
undetectable		 2x2nC-4c4oA:
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.
4c4o CARBONYL REDUCTASE
CPCR2

(Candida
parapsilosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 237
PRO A 159
VAL A 260
ALA A 210
ALA A 215
 None
 1.28A 2x2nC-4c4oA:
undetectable		 2x2nC-4c4oA:
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.
4cgr PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 TYR A  84
ALA A  38
ALA A  41
THR A  53
LEU A  50
 None
 1.08A 2x2nC-4cgrA:
undetectable		 2x2nC-4cgrA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		6 MET A  84
PHE A  73
TYR A  75
VAL A  33
ALA A  50
LEU A 193
 None
 1.40A 2x2nC-4cgyA:
undetectable		 2x2nC-4cgyA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dq7 MEMBRANE PROTEIN
PHI6 P5

(Pseudomonas
virus phi6) 		PF10464
(Peptidase_U40) 		5 PHE A 103
PRO A  93
VAL A  98
ALA A  73
ALA A  75
 None
 1.22A 2x2nC-4dq7A:
undetectable		 2x2nC-4dq7A:
16.49
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) 		6 MET A 106
PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 0.91A 2x2nC-4g3jA:
60.4		 2x2nC-4g3jA:
95.89
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) 		12 PHE A 105
MET A 106
PHE A 110
TYR A 116
PRO A 210
VAL A 213
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 360
MET A 460
 VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 4.8A)
None
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.5A)
VNT  A 502 (-4.9A)
 0.76A 2x2nC-4g3jA:
60.4		 2x2nC-4g3jA:
95.89
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) 		6 PHE A 105
MET A 106
PRO A 210
VAL A 213
ALA A 287
MET A 360
 VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 ( 4.8A)
None
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.5A)
 1.37A 2x2nC-4g3jA:
60.4		 2x2nC-4g3jA:
95.89
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.
4gx8 DNA POLYMERASE III
SUBUNIT EPSILON,DNA
POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF02811
(PHP) 		5 VAL A   8
ALA A  83
ALA A  85
THR A  87
LEU A 176
 None
 1.29A 2x2nC-4gx8A:
undetectable		 2x2nC-4gx8A:
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 11
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 12
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00420
(Oxidored_q2)
PF00662
(Proton_antipo_N) 		5 PHE K  11
VAL K  15
ALA N 151
ALA N 175
LEU L 601
 None
 1.29A 2x2nC-4heaK:
undetectable		 2x2nC-4heaK:
13.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 TYR A 141
PRO A 187
ALA A 300
ALA A 302
THR A 248
 None
 1.23A 2x2nC-4hv4A:
undetectable		 2x2nC-4hv4A:
21.71
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.
4iy9 30K PROTEIN 1

(Bombyx mori) 		PF03260
(Lipoprotein_11) 		5 PHE A 193
PRO A 184
VAL A 191
ALA A 133
MET A  58
 None
 1.27A 2x2nC-4iy9A:
undetectable		 2x2nC-4iy9A:
19.81
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.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		5 PHE A 269
PRO A 270
ALA A 128
ALA A 143
LEU A 110
 None
 0.99A 2x2nC-4mnrA:
undetectable		 2x2nC-4mnrA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pw8 TRYPTOPHAN
2,3-DIOXYGENASE

(Homo sapiens) 		PF03301
(Trp_dioxygenase) 		5 PHE A  97
VAL A  93
ALA A 288
ALA A 292
MET A 115
 None
 1.34A 2x2nC-4pw8A:
undetectable		 2x2nC-4pw8A:
20.00
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.
4pz0 SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Bacillus
anthracis) 		PF13407
(Peripla_BP_4) 		5 PHE A  47
PHE A  38
ALA A  55
ALA A 279
LEU A 331
 PAV  A 401 (-3.8A)
None
None
None
None
 1.07A 2x2nC-4pz0A:
undetectable		 2x2nC-4pz0A:
19.71
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.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		5 PHE A 370
PRO A 180
VAL A 184
ALA A 411
MET A 177
 None
 1.29A 2x2nC-4rp8A:
undetectable		 2x2nC-4rp8A:
21.71
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
TYR A 145
ALA A 311
THR A 315
MET A 381
 VFV  A 580 (-4.2A)
HEM  A 540 (-4.5A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
VFV  A 600 (-3.8A)
 1.08A 2x2nC-4uhiA:
38.6		 2x2nC-4uhiA:
35.27
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.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		5 PHE A 300
PRO A 297
ALA A 191
ALA A 270
LEU A 317
 None
 1.35A 2x2nC-4us4A:
undetectable		 2x2nC-4us4A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		5 PHE A 611
TYR A 664
ALA A 599
ALA A 626
MET A 690
 None
None
None
B12  A1101 (-3.6A)
None
 1.32A 2x2nC-5cjuA:
undetectable		 2x2nC-5cjuA:
16.80
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.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 PHE A 454
VAL A 442
ALA A 162
THR A 107
LEU A 104
 None
 1.27A 2x2nC-5cwaA:
undetectable		 2x2nC-5cwaA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d2e MLNE

(Bacillus
velezensis) 		PF08659
(KR) 		5 TYR A 292
VAL A 404
ALA A 477
ALA A 479
THR A  35
 None
 1.06A 2x2nC-5d2eA:
undetectable		 2x2nC-5d2eA:
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.
5d2e MLNE

(Bacillus
velezensis) 		PF08659
(KR) 		5 TYR A 346
VAL A 275
ALA A 332
THR A 313
LEU A 317
 PG4  A 603 (-3.4A)
None
PG4  A 603 (-3.9A)
None
None
 1.29A 2x2nC-5d2eA:
undetectable		 2x2nC-5d2eA:
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCOP1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT II

(Pseudomonas
stutzeri) 		PF00115
(COX1)
PF02433
(FixO)
PF13442
(Cytochrome_CBB3)
PF14715
(FixP_N) 		5 MET C   1
VAL B  39
ALA C  10
THR C  13
LEU A 271
 None
 0.95A 2x2nC-5djqC:
undetectable		 2x2nC-5djqC:
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.
5dp2 CURF

(Lyngbya
majuscula) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 PHE A 280
MET A 276
PHE A 274
ALA A 141
LEU A 294
 None
NAP  A 401 (-4.9A)
None
None
None
 1.11A 2x2nC-5dp2A:
undetectable		 2x2nC-5dp2A:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fv0 ESSC

(Geobacillus
thermodenitrificans) 		PF01580
(FtsK_SpoIIIE) 		5 PHE A1406
MET A1397
VAL A1372
THR A1386
LEU A1337
 None
 1.31A 2x2nC-5fv0A:
undetectable		 2x2nC-5fv0A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		5 PHE A 174
PRO A 234
ALA A 142
ALA A 144
THR A 105
 None
 1.17A 2x2nC-5ji5A:
undetectable		 2x2nC-5ji5A:
19.58
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.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		5 PHE A 135
PRO A 239
THR A 319
LEU A 381
MET A 512
 1YN  A 602 ( 4.6A)
1YN  A 602 ( 4.8A)
HEM  A 601 ( 3.5A)
1YN  A 602 ( 4.7A)
1YN  A 602 (-3.5A)
 1.08A 2x2nC-5jlcA:
37.4		 2x2nC-5jlcA:
29.74
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.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		5 PHE A 242
TYR A 141
THR A 319
LEU A 381
MET A 512
 1YN  A 602 ( 4.5A)
HEM  A 601 (-4.2A)
HEM  A 601 ( 3.5A)
1YN  A 602 ( 4.7A)
1YN  A 602 (-3.5A)
 1.11A 2x2nC-5jlcA:
37.4		 2x2nC-5jlcA:
29.74
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.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		5 TYR A 141
PRO A 239
THR A 319
LEU A 381
MET A 512
 HEM  A 601 (-4.2A)
1YN  A 602 ( 4.8A)
HEM  A 601 ( 3.5A)
1YN  A 602 ( 4.7A)
1YN  A 602 (-3.5A)
 0.94A 2x2nC-5jlcA:
37.4		 2x2nC-5jlcA:
29.74
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.
5jm7 AEROBACTIN SYNTHASE
IUCA

(Klebsiella
pneumoniae) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 PHE A  17
PHE A  50
PRO A 151
VAL A 109
LEU A  91
 None
 1.21A 2x2nC-5jm7A:
undetectable		 2x2nC-5jm7A:
22.65
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.
5l26 NUCLEOSIDE PERMEASE

(Neisseria
wadsworthii) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		5 PHE A  36
PHE A 216
VAL A  40
ALA A  17
ALA A  15
 None
 1.24A 2x2nC-5l26A:
undetectable		 2x2nC-5l26A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)

(Helicobacter
pylori) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 PHE A 302
PRO A 297
ALA A 267
ALA A 159
LEU A 275
 None
 0.96A 2x2nC-5lp4A:
undetectable		 2x2nC-5lp4A:
20.07
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.
5mog PHYTOENE
DEHYDROGENASE,
CHLOROPLASTIC/CHROMO
PLASTIC

(Oryza sativa) 		PF01593
(Amino_oxidase) 		5 MET A 188
PHE A 190
ALA A 276
ALA A 280
MET A 310
 NRF  A 601 ( 4.2A)
None
None
NRF  A 601 (-3.4A)
NRF  A 601 ( 4.6A)
 1.34A 2x2nC-5mogA:
undetectable		 2x2nC-5mogA:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 PRO A 317
VAL A 321
ALA A 338
ALA A 340
THR A 140
 None
 1.28A 2x2nC-5nvaA:
undetectable		 2x2nC-5nvaA:
9.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oce PHOSPHATIDYLINOSITOL
MANNOSIDE
ACYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		no annotation 5 PHE A 182
PRO A 220
VAL A 208
ALA A 186
LEU A 234
 None
 1.15A 2x2nC-5oceA:
undetectable		 2x2nC-5oceA:
11.09
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.
5tsq IUNH

(Leishmania
braziliensis) 		PF01156
(IU_nuc_hydro) 		5 PHE A 180
VAL A 179
ALA A 165
THR A 194
MET A 188
 None
 1.20A 2x2nC-5tsqA:
undetectable		 2x2nC-5tsqA:
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.
5um2 ABC TRANSPORTER
SULFATE BINDING
PROTEIN

(Xanthomonas
citri) 		PF13531
(SBP_bac_11) 		5 PHE A 151
VAL A 240
ALA A 194
ALA A 196
LEU A 168
 None
 1.11A 2x2nC-5um2A:
undetectable		 2x2nC-5um2A:
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.
5us8 ARGININOSUCCINATE
SYNTHASE

(Bordetella
pertussis) 		PF00764
(Arginosuc_synth) 		5 PHE A 241
VAL A 239
ALA A  87
ALA A  84
LEU A 297
 None
 1.29A 2x2nC-5us8A:
undetectable		 2x2nC-5us8A:
23.73
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 PHE B 510
PHE B 549
VAL B 525
ALA B 619
ALA B 623
 None
 1.21A 2x2nC-5vniB:
undetectable		 2x2nC-5vniB:
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 PHE B 803
VAL B 801
ALA B 842
LEU B 400
MET B 789
 None
 1.21A 2x2nC-5vniB:
undetectable		 2x2nC-5vniB:
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 PHE B 899
PRO B 900
VAL B 903
ALA B 403
ALA B 877
 None
 1.27A 2x2nC-5vniB:
undetectable		 2x2nC-5vniB:
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.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 TYR A 685
VAL A 725
ALA A 713
THR A 743
LEU A 731
 None
 1.32A 2x2nC-5vywA:
undetectable		 2x2nC-5vywA:
18.78
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.
5y51 -

(-) 		no annotation 5 PHE A 247
TYR A 100
PRO A 251
ALA A  88
ALA A 189
 None
 1.33A 2x2nC-5y51A:
undetectable		 2x2nC-5y51A:
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.
5zov -

(-) 		no annotation 5 PHE A 370
PRO A 180
VAL A 184
ALA A 416
MET A 177
 None
 1.35A 2x2nC-5zovA:
undetectable		 2x2nC-5zovA:
undetectable
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 9 PHE A 109
MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
MET A 362
 None
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
 1.15A 2x2nC-6ay4A:
46.1		 2x2nC-6ay4A:
35.77
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 5 TYR A 120
PRO A 213
THR A 297
LEU A 358
MET A 362
 None
None
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
 0.88A 2x2nC-6ay4A:
46.1		 2x2nC-6ay4A:
35.77
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.
6cwr -

(-) 		no annotation 5 MET A  59
ALA A 175
ALA A 128
THR A 131
LEU A  68
 None
 1.23A 2x2nC-6cwrA:
undetectable		 2x2nC-6cwrA:
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.
6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY

(Brevundimonas
sp. BAL3) 		no annotation 5 PHE A 170
VAL A  74
ALA A 354
THR A 358
MET A  23
 None
 1.32A 2x2nC-6frlA:
undetectable		 2x2nC-6frlA:
11.09