SIMILAR PATTERNS OF AMINO ACIDS FOR 3LCV_B_SAMB301_0

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.
1egz ENDOGLUCANASE Z

(Dickeya
chrysanthemi) 		PF00150
(Cellulase) 		5 HIS A 192
SER A 171
ILE A  94
LEU A 162
LEU A 216
 None
 1.10A 3lcvB-1egzA:
undetectable		 3lcvB-1egzA:
22.98
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.
1hr7 MITOCHONDRIAL
PROCESSING PEPTIDASE
BETA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ARG B 245
TYR B 203
ASP B  55
LEU B 241
LEU B  31
 None
 1.36A 3lcvB-1hr7B:
undetectable		 3lcvB-1hr7B:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hup MANNOSE-BINDING
PROTEIN

(Homo sapiens) 		PF00059
(Lectin_C) 		5 ARG A 146
THR A 218
ILE A 166
ASP A 177
LEU A 178
 None
 1.21A 3lcvB-1hupA:
undetectable		 3lcvB-1hupA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ii2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Trypanosoma
cruzi) 		PF01293
(PEPCK_ATP) 		5 ARG A  30
THR A  41
ALA A 262
ILE A 295
LEU A 265
 None
 1.39A 3lcvB-1ii2A:
undetectable		 3lcvB-1ii2A:
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		5 PHE A 376
SER A 148
THR A 147
ILE A  89
LEU A 124
 None
 1.24A 3lcvB-1k1dA:
undetectable		 3lcvB-1k1dA:
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.
1mbx ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT CLP A

(Escherichia
coli) 		PF02861
(Clp_N) 		5 SER A  83
THR A  81
ALA A 120
LEU A 124
LEU A  30
 None
 1.24A 3lcvB-1mbxA:
undetectable		 3lcvB-1mbxA:
21.45
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.
1ndf CARNITINE
ACETYLTRANSFERASE

(Mus musculus) 		PF00755
(Carn_acyltransf) 		5 SER A 282
ILE A 330
ASP A 289
LEU A 288
LEU A 214
 None
 1.20A 3lcvB-1ndfA:
undetectable		 3lcvB-1ndfA:
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 SER A 574
ALA A 608
ASP A 617
LEU A 618
LEU A 603
 None
 1.34A 3lcvB-1ogyA:
2.1		 3lcvB-1ogyA:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		5 THR K 193
ALA K  52
ILE K  50
ASP K  55
LEU K  54
 None
 1.07A 3lcvB-1oxxK:
undetectable		 3lcvB-1oxxK:
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.
1r6b CLPA PROTEIN

(Escherichia
coli) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 PHE X 283
SER X 247
THR X 174
ALA X 228
LEU X 179
 None
 1.39A 3lcvB-1r6bX:
undetectable		 3lcvB-1r6bX:
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.
1skx ORPHAN NUCLEAR
RECEPTOR PXR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 SER A 247
THR A 248
ILE A 414
LEU A 412
LEU A 428
 RFP  A   1 (-3.1A)
None
RFP  A   1 ( 4.2A)
None
None
 1.19A 3lcvB-1skxA:
undetectable		 3lcvB-1skxA:
22.39
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.
1u1z (3R)-HYDROXYMYRISTOY
L-[ACYL CARRIER
PROTEIN] DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF07977
(FabA) 		5 PHE A  45
ALA A  64
ILE A  61
LEU A 109
LEU A  18
 None
 1.13A 3lcvB-1u1zA:
undetectable		 3lcvB-1u1zA:
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.
1xd6 GASTRODIANIN-4

(Gastrodia elata) 		PF01453
(B_lectin) 		5 TYR A  96
THR A  76
ILE A  86
ASP A   2
LEU A  16
 None
 1.27A 3lcvB-1xd6A:
undetectable		 3lcvB-1xd6A:
15.58
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.
1y0g PROTEIN YCEI

(Escherichia
coli) 		PF04264
(YceI) 		5 SER A  79
THR A  78
ALA A 105
LEU A 125
LEU A  97
 None
None
8PP  A 320 (-3.6A)
8PP  A 320 ( 4.4A)
None
 1.36A 3lcvB-1y0gA:
undetectable		 3lcvB-1y0gA:
24.19
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 ARG A 195
TYR A 225
PHE A 298
ILE A 305
LEU A 217
 None
A70  A 500 ( 4.0A)
None
A70  A 500 (-4.8A)
None
 1.26A 3lcvB-1zapA:
undetectable		 3lcvB-1zapA:
20.06
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.
1zh8 OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 TYR A 125
ILE A  98
ASP A  75
LEU A  76
LEU A 116
 None
 1.33A 3lcvB-1zh8A:
3.7		 3lcvB-1zh8A:
25.42
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.
2cav PROTEIN (CANAVALIN)

(Canavalia
ensiformis) 		PF00190
(Cupin_1) 		5 TYR A 147
PHE A 146
ALA A 117
ILE A 149
LEU A 157
 None
 1.24A 3lcvB-2cavA:
undetectable		 3lcvB-2cavA:
19.10
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.
2dvk UPF0130 PROTEIN
APE0816

(Aeropyrum
pernix) 		PF02676
(TYW3) 		5 ARG A  27
HIS A  66
THR A  64
ASP A 175
LEU A 174
 None
 1.35A 3lcvB-2dvkA:
undetectable		 3lcvB-2dvkA:
21.40
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.
2een HYPOTHETICAL PROTEIN
PH1819

(Pyrococcus
horikoshii) 		PF01928
(CYTH) 		5 ARG A 111
PHE A 165
ALA A  10
ASP A 125
LEU A 124
 None
 1.36A 3lcvB-2eenA:
undetectable		 3lcvB-2eenA:
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.
2ejc PANTOATE--BETA-ALANI
NE LIGASE

(Thermotoga
maritima) 		PF02569
(Pantoate_ligase) 		5 ARG A 121
SER A 205
ALA A 263
ILE A 274
LEU A 116
 None
 1.00A 3lcvB-2ejcA:
undetectable		 3lcvB-2ejcA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		5 ARG A 195
TYR A 225
PHE A 298
ILE A 305
LEU A 217
 None
 1.29A 3lcvB-2h6tA:
undetectable		 3lcvB-2h6tA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q5o PHENYLPYRUVATE
DECARBOXYLASE

(Azospirillum
brasilense) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 TYR A 312
ALA A 300
ILE A 315
LEU A 317
LEU A 275
 None
 1.38A 3lcvB-2q5oA:
undetectable		 3lcvB-2q5oA:
23.79
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.
2qjf BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1

(Homo sapiens) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 TYR A 330
ALA A 336
ASP A 385
LEU A 384
LEU A 338
 None
 1.38A 3lcvB-2qjfA:
undetectable		 3lcvB-2qjfA:
22.08
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.
2wp9 SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT

(Escherichia
coli) 		PF13085
(Fer2_3)
PF13534
(Fer4_17) 		5 PHE B 162
SER B 156
ASP B 199
LEU B 197
LEU B 176
 None
None
None
None
SF4  B 303 ( 4.7A)
 1.15A 3lcvB-2wp9B:
undetectable		 3lcvB-2wp9B:
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.
2y7c TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN

(Escherichia
coli) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 PHE B 181
ALA B 306
ILE B 262
LEU B 300
LEU B 355
 None
 1.38A 3lcvB-2y7cB:
7.9		 3lcvB-2y7cB:
18.98
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		5 TYR A 254
SER A 208
ALA A 201
LEU A  87
LEU A 206
 HAS  A1016 (-4.4A)
None
None
None
None
 1.37A 3lcvB-2yevA:
undetectable		 3lcvB-2yevA:
15.34
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.
2yyz SUGAR ABC
TRANSPORTER,
ATP-BINDING PROTEIN

(Thermotoga
maritima) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		5 PHE A  31
SER A 187
THR A 186
ILE A 204
LEU A 156
 None
 1.39A 3lcvB-2yyzA:
undetectable		 3lcvB-2yyzA:
22.73
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		5 TYR A 102
ALA A 125
ASP A  51
LEU A 107
LEU A 155
 None
 1.39A 3lcvB-2zwvA:
8.2		 3lcvB-2zwvA:
24.94
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.
3a9v 4-COUMARATE--COA
LIGASE

(Populus
tomentosa) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 THR A  58
ALA A  94
ILE A  71
ASP A  75
LEU A  92
 None
 1.15A 3lcvB-3a9vA:
undetectable		 3lcvB-3a9vA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3adr PUTATIVE
UNCHARACTERIZED
PROTEIN ST1585

(Sulfurisphaera
tokodaii) 		PF00753
(Lactamase_B) 		5 TYR A 188
HIS A 152
THR A  57
ILE A 183
LEU A  59
 None
 1.39A 3lcvB-3adrA:
undetectable		 3lcvB-3adrA:
19.86
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN
ETHANOLAMINE
AMMONIA-LYASE LIGHT
CHAIN

(Escherichia
coli;
Escherichia
coli) 		PF06751
(EutB)
PF05985
(EutC) 		5 TYR B 133
HIS A 368
THR A 366
ASP B 138
LEU A 335
 None
 1.15A 3lcvB-3anyB:
undetectable		 3lcvB-3anyB:
25.57
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.
3auz DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
MRE11

(Methanocaldococcus
jannaschii) 		PF00149
(Metallophos) 		6 TYR A 225
SER A  47
ILE A 239
ASP A 238
LEU A 234
LEU A 155
 None
 1.48A 3lcvB-3auzA:
undetectable		 3lcvB-3auzA:
23.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b89 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 ARG A  26
ALA A 111
ILE A 132
ASP A 157
LEU A 171
 None
5GP  A 500 (-3.1A)
5GP  A 500 (-4.1A)
5GP  A 500 (-2.7A)
None
 0.97A 3lcvB-3b89A:
27.3		 3lcvB-3b89A:
34.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b89 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		8 ARG A  26
HIS A  81
SER A  83
THR A  84
ALA A 111
ILE A 132
ASP A 157
LYS A 174
 None
5GP  A 500 (-4.7A)
5GP  A 500 (-2.7A)
None
5GP  A 500 (-3.1A)
5GP  A 500 (-4.1A)
5GP  A 500 (-2.7A)
5GP  A 500 (-4.9A)
 0.86A 3lcvB-3b89A:
27.3		 3lcvB-3b89A:
34.47
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.
3bww PROTEIN OF UNKNOWN
FUNCTION
DUF692/COG3220

(Histophilus
somni) 		PF05114
(DUF692) 		5 PHE A 112
SER A 149
THR A 150
ALA A 116
ILE A 160
 None
 1.29A 3lcvB-3bwwA:
undetectable		 3lcvB-3bwwA:
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.
3da1 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Bacillus
halodurans) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 SER A  57
ILE A  33
ASP A  36
LEU A  35
LEU A 174
 FAD  A 609 (-2.9A)
None
None
None
None
 1.31A 3lcvB-3da1A:
undetectable		 3lcvB-3da1A:
20.11
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.
3ddn D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		5 HIS A 203
SER A 201
ALA A 103
ILE A 100
LEU A 110
 None
 1.36A 3lcvB-3ddnA:
3.9		 3lcvB-3ddnA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ff6 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 SER A1929
ALA A1940
ILE A1936
LEU A1959
LEU A1945
 None
 1.36A 3lcvB-3ff6A:
undetectable		 3lcvB-3ff6A:
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.
3fg2 PUTATIVE RUBREDOXIN
REDUCTASE

(Rhodopseudomonas
palustris) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 TYR P  25
HIS P 101
ILE P  29
LEU P  31
LEU P 104
 None
 1.32A 3lcvB-3fg2P:
2.4		 3lcvB-3fg2P:
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.
3fzg 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		6 HIS A  83
SER A  85
THR A  86
ILE A 138
LEU A 179
LYS A 180
 SAM  A 300 (-4.4A)
SAM  A 300 (-3.1A)
SAM  A 300 (-4.7A)
SAM  A 300 (-3.7A)
SAM  A 300 (-4.0A)
SAM  A 300 (-4.7A)
 0.56A 3lcvB-3fzgA:
19.9		 3lcvB-3fzgA:
25.09
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.
3fzg 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 HIS A  83
SER A  85
THR A  86
LEU A 185
LEU A 179
 SAM  A 300 (-4.4A)
SAM  A 300 (-3.1A)
SAM  A 300 (-4.7A)
None
SAM  A 300 (-4.0A)
 0.95A 3lcvB-3fzgA:
19.9		 3lcvB-3fzgA:
25.09
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.
3g79 NDP-N-ACETYL-D-GALAC
TOSAMINURONIC ACID
DEHYDROGENASE

(Methanosarcina
mazei) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ARG A 326
ALA A 248
ILE A 246
ASP A 243
LEU A 244
 None
 1.23A 3lcvB-3g79A:
2.9		 3lcvB-3g79A:
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.
3hgo 12-OXOPHYTODIENOATE
REDUCTASE 3

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 THR A  70
ALA A 113
ILE A 139
LEU A 245
LEU A 191
 None
 1.32A 3lcvB-3hgoA:
undetectable		 3lcvB-3hgoA:
23.08
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.
3hsa PLECKSTRIN HOMOLOGY
DOMAIN

(Shewanella
amazonensis) 		PF08000
(bPH_1) 		5 THR A 118
ALA A  36
ASP A  15
LEU A  19
LEU A  51
 MLY  A 117 ( 4.3A)
GOL  A 127 ( 4.2A)
GOL  A 128 (-3.4A)
MLY  A  18 ( 4.6A)
None
 1.36A 3lcvB-3hsaA:
undetectable		 3lcvB-3hsaA:
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.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom) 		5 HIS A2001
SER A2002
ILE A1932
ASP A1933
LEU A1936
 None
 1.27A 3lcvB-3jbzA:
undetectable		 3lcvB-3jbzA:
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.
3k6k ESTERASE/LIPASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 TYR A  85
PHE A  86
SER A 166
THR A 164
ILE A  83
 None
 1.32A 3lcvB-3k6kA:
2.3		 3lcvB-3k6kA:
23.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lcv SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM

(Micromonospora
zionensis) 		PF07091
(FmrO) 		6 ARG B  33
ALA B 133
ILE B 157
ASP B 182
LEU B 183
LEU B 196
 SAM  B 301 ( 4.7A)
SAM  B 301 (-3.4A)
SAM  B 301 (-4.2A)
SAM  B 301 (-3.1A)
SAM  B 301 (-4.0A)
None
 1.15A 3lcvB-3lcvB:
46.2		 3lcvB-3lcvB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lcv SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM

(Micromonospora
zionensis) 		PF07091
(FmrO) 		12 ARG B  33
TYR B  61
PHE B  64
HIS B 102
SER B 104
THR B 105
ALA B 133
ILE B 157
ASP B 182
LEU B 183
LEU B 198
LYS B 199
 SAM  B 301 ( 4.7A)
SAM  B 301 (-4.9A)
SAM  B 301 (-3.7A)
SAM  B 301 (-4.3A)
SAM  B 301 (-3.0A)
SAM  B 301 (-3.8A)
SAM  B 301 (-3.4A)
SAM  B 301 (-4.2A)
SAM  B 301 (-3.1A)
SAM  B 301 (-4.0A)
SAM  B 301 (-4.1A)
SAM  B 301 (-4.9A)
 0.01A 3lcvB-3lcvB:
46.2		 3lcvB-3lcvB:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mve UPF0255 PROTEIN
VV1_0328

(Vibrio
vulnificus) 		PF06500
(DUF1100) 		5 ARG A  54
THR A 181
ASP A 203
LEU A 202
LEU A 247
 None
None
EDO  A 417 ( 4.7A)
EDO  A 417 (-4.1A)
None
 1.04A 3lcvB-3mveA:
undetectable		 3lcvB-3mveA:
23.26
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.
3ol2 SEMAPHORIN-4D

(Homo sapiens) 		PF00047
(ig)
PF01403
(Sema)
PF01437
(PSI) 		5 TYR A 310
THR A 428
ILE A 423
ASP A 295
LEU A 476
 None
 1.37A 3lcvB-3ol2A:
undetectable		 3lcvB-3ol2A:
19.45
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.
3p1u SUSD HOMOLOG

(Parabacteroides
distasonis) 		PF12741
(SusD-like) 		5 ALA A 233
ILE A 237
LEU A 389
LEU A 221
LYS A 228
 None
 1.37A 3lcvB-3p1uA:
undetectable		 3lcvB-3p1uA:
17.58
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.
3rgu FIMBRIAE-ASSOCIATED
PROTEIN FAP1

(Streptococcus
parasanguinis) 		no annotation 5 THR A 198
ILE A 189
ASP A 186
LEU A 176
LEU A 170
 None
 1.35A 3lcvB-3rguA:
undetectable		 3lcvB-3rguA:
21.80
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.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		5 PHE A 376
SER A 148
THR A 147
ILE A  89
LEU A 124
 None
 1.19A 3lcvB-3sfwA:
undetectable		 3lcvB-3sfwA:
23.13
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.
3t32 AMINOTRANSFERASE,
CLASS I/II

(Bacillus
anthracis) 		PF00155
(Aminotran_1_2) 		5 TYR A 116
HIS A 198
SER A 317
ILE A 115
LEU A 135
 LLP  A 230 ( 3.8A)
LLP  A 230 ( 3.9A)
None
None
None
 1.19A 3lcvB-3t32A:
undetectable		 3lcvB-3t32A:
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.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		5 TYR A 127
HIS A 124
THR A 121
ALA A 195
ILE A  29
 None
 1.31A 3lcvB-3tp9A:
undetectable		 3lcvB-3tp9A:
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ARG A1016
THR A1005
ALA A 959
LEU A1023
LEU A 961
 None
 1.31A 3lcvB-3va7A:
2.8		 3lcvB-3va7A:
14.17
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 SER L 131
ALA L 136
ASP L 141
LEU L 140
LYS L   1
 None
 1.30A 3lcvB-3wxrL:
undetectable		 3lcvB-3wxrL:
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.
3zgb PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Flaveria
pringlei) 		PF00311
(PEPcase) 		5 ARG A 227
HIS A 918
ILE A  92
ASP A 949
LEU A 947
 None
 1.21A 3lcvB-3zgbA:
undetectable		 3lcvB-3zgbA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c0n 2-ON-2 HEMOGLOBIN

(Arabidopsis
thaliana) 		PF01152
(Bac_globin) 		5 HIS A 139
SER A   9
ALA A 146
ILE A  95
LEU A 150
 None
None
None
CL  A1152 (-4.1A)
None
 1.35A 3lcvB-4c0nA:
undetectable		 3lcvB-4c0nA:
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.
4cgn GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Leishmania
major) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 PHE A 309
ALA A 343
ILE A 328
LEU A 341
LEU A 222
 None
 1.40A 3lcvB-4cgnA:
undetectable		 3lcvB-4cgnA:
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.
4cmr GLYCOSYL
HYDROLASE/DEACETYLAS
E FAMILY PROTEIN

(Pyrococcus sp.
ST04) 		no annotation 5 ARG A  68
PHE A 411
HIS A 407
ILE A  98
ASP A  64
 None
 1.31A 3lcvB-4cmrA:
undetectable		 3lcvB-4cmrA:
19.30
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.
4cvc ALCOHOL
DEHYDROGENASE

(Pseudogluconobacter
saccharoketogenes) 		PF13360
(PQQ_2) 		5 TYR A 562
SER A  79
THR A 521
ILE A 564
ASP A 565
 None
 1.32A 3lcvB-4cvcA:
undetectable		 3lcvB-4cvcA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4emi TODA

(Pseudomonas
putida) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 PHE A  26
THR A  17
ALA A   6
LEU A  98
LEU A  32
 None
 1.32A 3lcvB-4emiA:
undetectable		 3lcvB-4emiA:
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.
4flc ADENYLOSUCCINATE
LYASE

(Homo sapiens) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 TYR A  34
ALA A 342
ILE A 123
ASP A 120
LEU A  17
 None
 1.17A 3lcvB-4flcA:
undetectable		 3lcvB-4flcA:
21.27
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.
4g9i HYDROGENASE
MATURATION PROTEIN
HYPF

(Thermococcus
kodakarensis) 		PF00708
(Acylphosphatase)
PF00814
(Peptidase_M22)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 ARG A 245
HIS A 313
THR A 312
ALA A 227
LEU A 356
 None
 1.34A 3lcvB-4g9iA:
undetectable		 3lcvB-4g9iA:
15.83
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.
4h27 L-SERINE
DEHYDRATASE/L-THREON
INE DEAMINASE

(Homo sapiens) 		PF00291
(PALP) 		5 ARG A  43
SER A 297
THR A  25
ILE A 301
ASP A  32
 None
 1.16A 3lcvB-4h27A:
undetectable		 3lcvB-4h27A:
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.
4mdp BETA-GLUCOSIDASE

(Humicola grisea) 		PF00232
(Glyco_hydro_1) 		5 ARG A  27
PHE A 134
ALA A 181
ASP A  33
LEU A 173
 None
None
None
None
BGC  A 501 ( 4.9A)
 1.21A 3lcvB-4mdpA:
undetectable		 3lcvB-4mdpA:
21.64
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.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 ARG A 587
HIS A 501
ASP A 563
LEU A 562
LEU A 540
 None
 1.28A 3lcvB-4nsxA:
undetectable		 3lcvB-4nsxA:
17.27
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.
4ojz PUTATIVE ALGINATE
LYASE

(Saccharophagus
degradans) 		PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III) 		5 TYR A 605
HIS A 659
SER A 674
ALA A 596
LEU A 640
 None
 1.35A 3lcvB-4ojzA:
undetectable		 3lcvB-4ojzA:
16.71
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.
4ol9 PUTATIVE
2-DEHYDROPANTOATE
2-REDUCTASE

(Mycobacterium
tuberculosis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 TYR A  26
ALA A  18
ILE A   5
LEU A  30
LEU A  41
 None
 1.29A 3lcvB-4ol9A:
undetectable		 3lcvB-4ol9A:
24.63
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.
4oqr CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 HIS A 242
THR A 176
ASP A 214
LEU A 216
LEU A 235
 None
 1.24A 3lcvB-4oqrA:
undetectable		 3lcvB-4oqrA:
23.29
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.
4ou4 ALPHA/BETA HYDROLASE
FOLD-3 DOMAIN
PROTEIN

(Pseudomonas sp.
ECU1011) 		PF07859
(Abhydrolase_3) 		5 ARG A  99
THR A 277
ALA A 307
ASP A 103
LEU A 104
 None
 1.20A 3lcvB-4ou4A:
undetectable		 3lcvB-4ou4A:
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 PHE A 231
SER A 195
THR A 161
ALA A 211
LEU A 206
 None
 1.28A 3lcvB-4ox2A:
undetectable		 3lcvB-4ox2A:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p2f ADENYLATE CYCLASE

(Mycobacterium
tuberculosis) 		PF00211
(Guanylate_cyc) 		5 HIS A 290
ALA A 320
ASP A 399
LEU A 396
LEU A 253
 PEG  A 519 (-3.2A)
None
None
None
None
 1.23A 3lcvB-4p2fA:
undetectable		 3lcvB-4p2fA:
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.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 PHE D 352
THR D 190
ALA D 347
LEU D 237
LEU D 345
 None
 1.36A 3lcvB-4x28D:
undetectable		 3lcvB-4x28D:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ah1 TRIACYLGLYCEROL
LIPASE

(Clostridium
botulinum) 		no annotation 5 PHE A 329
SER A 225
THR A 226
ILE A 412
LEU A 178
 None
 1.26A 3lcvB-5ah1A:
undetectable		 3lcvB-5ah1A:
19.18
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.
5awp ISOMALTODEXTRANASE

(Arthrobacter
globiformis) 		no annotation 5 ARG A 521
THR A 541
ALA A 544
ASP A 579
LEU A 578
 None
 1.39A 3lcvB-5awpA:
undetectable		 3lcvB-5awpA:
18.06
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.
5b7z UNCHARACTERIZED
PROTEIN TM_0416

(Thermotoga
maritima) 		PF01261
(AP_endonuc_2) 		5 HIS A 206
ALA A  37
ILE A  64
LEU A  62
LEU A   3
 None
None
None
None
1PG  A 307 ( 4.6A)
 1.19A 3lcvB-5b7zA:
undetectable		 3lcvB-5b7zA:
23.03
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.
5cxc RIBOSOME BIOGENESIS
PROTEIN ERB1

(Chaetomium
thermophilum) 		PF00400
(WD40) 		5 ARG B 724
HIS B 528
ALA B 469
ILE B 461
ASP B 780
 None
 1.39A 3lcvB-5cxcB:
undetectable		 3lcvB-5cxcB:
22.05
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.
5dh2 SIDEROPHORE
PERIPLASMIC BINDING
PROTEIN

(Thermobifida
fusca) 		PF01497
(Peripla_BP_2) 		5 THR A 200
ALA A 347
ILE A 349
ASP A 352
LEU A 351
 None
 1.07A 3lcvB-5dh2A:
undetectable		 3lcvB-5dh2A:
22.39
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.
5hb3 NUCLEOPORIN NIC96
NUCLEOPORIN NUP53

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		PF04097
(Nic96)
no annotation 		5 HIS A 696
SER B  78
ALA B  72
ILE B  70
ASP B  67
 None
 1.37A 3lcvB-5hb3A:
undetectable		 3lcvB-5hb3A:
17.09
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ARG A1016
THR A1005
ALA A 959
LEU A1023
LEU A 961
 None
 1.30A 3lcvB-5i8iA:
undetectable		 3lcvB-5i8iA:
9.53
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.
5ihs ENDOGLUCANASE,
GLYCOSIDE HYDROLASE
FAMILY 5 PROTEIN

(Cytophaga
hutchinsonii) 		PF00150
(Cellulase) 		5 SER A 165
THR A 164
ALA A 204
ILE A 209
LEU A 200
 None
 1.36A 3lcvB-5ihsA:
undetectable		 3lcvB-5ihsA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k2z PYRIDOXAL
5'-PHOSPHATE
SYNTHASE SUBUNIT
PDX1.3

(Arabidopsis
thaliana) 		PF01680
(SOR_SNZ) 		5 THR A 272
ALA A 266
ASP A 259
LEU A 287
LEU A 280
 None
 1.38A 3lcvB-5k2zA:
undetectable		 3lcvB-5k2zA:
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
3
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
6
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L

(Bos taurus;
Bos taurus;
Bos taurus) 		PF00507
(Oxidored_q4)
PF00499
(Oxidored_q3)
PF00420
(Oxidored_q2) 		5 ALA K  68
ILE J  59
ASP A  66
LEU A  63
LEU K  33
 None
 1.32A 3lcvB-5lc5K:
undetectable		 3lcvB-5lc5K:
15.41
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.
5lm8 'MULTICOPPER OXIDASE

(Aspergillus
niger) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 517
THR A 484
ILE A 577
LEU A 126
LEU A 452
 CU  A 601 ( 3.5A)
None
None
None
None
 1.25A 3lcvB-5lm8A:
undetectable		 3lcvB-5lm8A:
18.08
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.
5lst ATP-DEPENDENT DNA
HELICASE Q4

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ARG A 629
TYR A 621
HIS A 608
THR A 643
ILE A 604
 None
 1.34A 3lcvB-5lstA:
undetectable		 3lcvB-5lstA:
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.
5nfr MALATE DEHYDROGENASE

(Plasmodium
falciparum) 		no annotation 5 PHE A 251
THR A 148
ALA A 234
ILE A 236
LEU A  19
 None
 1.36A 3lcvB-5nfrA:
2.9		 3lcvB-5nfrA:
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.
5nvr TELOMERE LENGTH
REGULATOR PROTEIN
RIF1

(Saccharomyces
cerevisiae) 		PF12231
(Rif1_N) 		5 TYR A 464
THR A 504
ASP A 533
LEU A 450
LEU A 523
 None
 1.38A 3lcvB-5nvrA:
undetectable		 3lcvB-5nvrA:
13.27
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 PHE T3344
HIS T3340
SER T3228
LEU T1345
LEU T3224
 None
 1.29A 3lcvB-5ojsT:
undetectable		 3lcvB-5ojsT:
5.72
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.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 5 ARG A 105
PHE A 271
SER A 188
THR A 187
ALA A 305
 HEM  A 601 (-2.8A)
None
None
None
HEM  A 601 (-3.4A)
 1.29A 3lcvB-5veuA:
undetectable		 3lcvB-5veuA:
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.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 SER A 263
THR A 262
ILE A 474
LEU A 372
LEU A 488
 None
 1.00A 3lcvB-5x49A:
undetectable		 3lcvB-5x49A:
20.13
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.
5x59 S PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind) 		5 TYR A 663
SER A 743
THR A 744
ALA A 671
ASP A 343
 None
 1.08A 3lcvB-5x59A:
undetectable		 3lcvB-5x59A:
11.92
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.
5xyn SUPPRESSOR OF
HYDROXYUREA
SENSITIVITY PROTEIN
2

(Saccharomyces
cerevisiae) 		no annotation 5 TYR D  33
PHE D  36
ALA D  44
LEU D  48
LEU D 179
 None
 1.28A 3lcvB-5xynD:
undetectable		 3lcvB-5xynD:
22.57
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.
5y7f UGGT

(Thermomyces
dupontii) 		PF01501
(Glyco_transf_8) 		5 PHE A1333
ILE A1350
ASP A1427
LEU A1387
LYS A1384
 None
None
CA  A2003 ( 2.2A)
None
None
 1.36A 3lcvB-5y7fA:
undetectable		 3lcvB-5y7fA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6btg FUCULOSE PHOSPHATE
ALDOLASE

(Bacillus
thuringiensis) 		no annotation 5 ARG A  35
TYR A  83
THR A  96
ALA A 169
ILE A  90
 None
 1.19A 3lcvB-6btgA:
undetectable		 3lcvB-6btgA:
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.
6c5v ENVELOPE
GLYCOPROTEIN L

(Human
gammaherpesvirus
4) 		no annotation 5 TYR B 115
PHE B 118
SER B  60
ILE B  90
LEU B 107
 None
 1.21A 3lcvB-6c5vB:
undetectable		 3lcvB-6c5vB:
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.
6ek2 SINGLE CHAIN FV
FRAGMENT

(Mus musculus) 		no annotation 5 TYR H 202
ALA H 218
ILE H 220
LEU H 250
LEU H 230
 None
 1.14A 3lcvB-6ek2H:
undetectable		 3lcvB-6ek2H:
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.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 SER A  87
ALA A 128
ILE A 246
ASP A 130
LEU A 338
 None
 1.17A 3lcvB-6et9A:
undetectable		 3lcvB-6et9A:
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.
6gun -

(-) 		no annotation 5 ALA A 122
ILE A 124
ASP A 127
LEU A 126
LEU A 159
 None
 1.23A 3lcvB-6gunA:
undetectable		 3lcvB-6gunA:
undetectable