SIMILAR PATTERNS OF AMINO ACIDS FOR 1LQU_A_ACTA1429

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.
1bxk PROTEIN
(DTDP-GLUCOSE
4,6-DEHYDRATASE)

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		4 SER A 163
ASN A 101
ALA A  83
GLU A  84
 None
None
NAD  A 380 (-3.6A)
None
 1.37A 1lquA-1bxkA:
6.5
1lquB-1bxkA:
5.9		 1lquA-1bxkA:
23.60
1lquB-1bxkA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g1a DTDP-D-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		4 SER A 170
ASN A 100
ALA A  82
GLU A  83
 None
None
NAD  A 400 (-3.2A)
None
 1.38A 1lquA-1g1aA:
6.3
1lquB-1g1aA:
5.7		 1lquA-1g1aA:
22.85
1lquB-1g1aA:
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.
1j4a D-LACTATE
DEHYDROGENASE

(Lactobacillus
delbrueckii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ASN A 316
ALA A 326
ASP A 315
GLU A 327
 None
 1.33A 1lquA-1j4aA:
5.1
1lquB-1j4aA:
undetectable		 1lquA-1j4aA:
24.27
1lquB-1j4aA:
24.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lqt FPRA

(Mycobacterium
tuberculosis) 		PF07992
(Pyr_redox_2) 		4 SER A 274
ASN A 292
ALA A 304
ASP A 306
 ACT  A1872 ( 3.1A)
ACT  A1872 (-2.2A)
ACT  A1872 (-2.5A)
None
 0.04A 1lquA-1lqtA:
64.3
1lquB-1lqtA:
62.7		 1lquA-1lqtA:
100.00
1lquB-1lqtA:
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.
1mpy CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase) 		4 ASN A 273
ALA A 177
ASP A 271
GLU A 178
 None
 1.24A 1lquA-1mpyA:
undetectable
1lquB-1mpyA:
undetectable		 1lquA-1mpyA:
21.19
1lquB-1mpyA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pk0 CALMODULIN-SENSITIVE
ADENYLATE CYCLASE

(Bacillus
anthracis) 		PF03497
(Anthrax_toxA) 		4 SER A 354
ASN A 332
ALA A 335
ASP A 356
 EMA  A1999 (-3.0A)
None
None
None
 1.20A 1lquA-1pk0A:
undetectable
1lquB-1pk0A:
undetectable		 1lquA-1pk0A:
21.20
1lquB-1pk0A:
21.20
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.
1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Homo sapiens) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		4 SER A 554
ASN A 463
ALA A 462
ASP A 460
 None
 1.14A 1lquA-1pl0A:
3.1
1lquB-1pl0A:
2.2		 1lquA-1pl0A:
23.86
1lquB-1pl0A:
23.86
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.
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 SER A 231
ASN A 228
ALA A 170
GLU A 174
 None
 1.36A 1lquA-1qe0A:
undetectable
1lquB-1qe0A:
undetectable		 1lquA-1qe0A:
23.06
1lquB-1qe0A:
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.
1qfx PROTEIN (PH 2.5 ACID
PHOSPHATASE)

(Aspergillus
niger) 		PF00328
(His_Phos_2) 		4 ASN A 239
ALA A  79
ASP A  75
GLU A  78
 None
 1.30A 1lquA-1qfxA:
undetectable
1lquB-1qfxA:
undetectable		 1lquA-1qfxA:
22.24
1lquB-1qfxA:
22.24
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.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASN A 138
ALA A 134
ASP A 146
GLU A 130
 None
 1.26A 1lquA-1qgdA:
3.6
1lquB-1qgdA:
3.3		 1lquA-1qgdA:
23.07
1lquB-1qgdA:
23.07
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.
1qua ACUTOLYSIN-C

(Deinagkistrodon
acutus) 		PF01421
(Reprolysin) 		4 SER A  54
ASN A  92
ALA A  95
ASP A  93
 None
 1.44A 1lquA-1quaA:
3.9
1lquB-1quaA:
3.4		 1lquA-1quaA:
17.18
1lquB-1quaA:
17.18
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.
1r66 TDP-GLUCOSE-4,6-DEHY
DRATASE

(Streptomyces
venezuelae) 		PF16363
(GDP_Man_Dehyd) 		4 SER A 154
ASN A 103
ALA A  85
GLU A  86
 None
None
NAD  A 900 (-3.4A)
None
 1.38A 1lquA-1r66A:
5.4
1lquB-1r66A:
5.1		 1lquA-1r66A:
23.68
1lquB-1r66A:
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.
1u3h T-CELL RECEPTOR
ALPHA-CHAIN

(Mus musculus) 		PF07686
(V-set) 		4 SER A 100
ASN A  99
ALA A  28
ASP A  30
 None
 1.25A 1lquA-1u3hA:
undetectable
1lquB-1u3hA:
undetectable		 1lquA-1u3hA:
13.17
1lquB-1u3hA:
13.17
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.
1uw4 UPF3X

(Homo sapiens) 		PF03467
(Smg4_UPF3) 		4 SER A  51
ASN A 100
ALA A 139
ASP A  78
 None
 1.23A 1lquA-1uw4A:
undetectable
1lquB-1uw4A:
undetectable		 1lquA-1uw4A:
12.38
1lquB-1uw4A:
12.38
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.
1yp1 FII

(Deinagkistrodon
acutus) 		PF01421
(Reprolysin) 		4 SER A  54
ASN A  92
ALA A  95
ASP A  93
 None
 1.40A 1lquA-1yp1A:
3.7
1lquB-1yp1A:
3.7		 1lquA-1yp1A:
16.74
1lquB-1yp1A:
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.
2pbz HYPOTHETICAL PROTEIN

(Thermococcus
kodakarensis) 		PF06849
(DUF1246)
PF06973
(DUF1297) 		4 SER A   6
ASN A  59
ALA A  84
ASP A  61
 None
 1.16A 1lquA-2pbzA:
3.9
1lquB-2pbzA:
undetectable		 1lquA-2pbzA:
22.31
1lquB-2pbzA:
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.
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		4 SER X 333
ASN X 122
ASP X 181
GLU X 121
 None
 1.36A 1lquA-2pmoX:
undetectable
1lquB-2pmoX:
undetectable		 1lquA-2pmoX:
19.83
1lquB-2pmoX:
19.83
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.
2pzk PUTATIVE NUCLEOTIDE
SUGAR EPIMERASE/
DEHYDRATASE

(Bordetella
bronchiseptica) 		PF01370
(Epimerase) 		4 SER A 143
ASN A  92
ALA A  78
GLU A  87
 None
None
NAD  A 401 ( 4.5A)
None
 1.39A 1lquA-2pzkA:
4.2
1lquB-2pzkA:
3.8		 1lquA-2pzkA:
20.68
1lquB-2pzkA:
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.
2qe7 ATP SYNTHASE SUBUNIT
BETA

(Bacillus sp.
TA2.A1) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 SER D 292
ALA D 229
ASP D 234
GLU D 230
 None
 1.34A 1lquA-2qe7D:
undetectable
1lquB-2qe7D:
undetectable		 1lquA-2qe7D:
23.63
1lquB-2qe7D:
23.63
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ASN A 936
ALA A 939
ASP A 496
GLU A 853
 None
 1.45A 1lquA-2zxqA:
undetectable
1lquB-2zxqA:
2.1		 1lquA-2zxqA:
15.41
1lquB-2zxqA:
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.
3dzd TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat) 		4 ASN A 187
ALA A 189
ASP A 230
GLU A 231
 None
None
ADP  A 370 ( 4.6A)
None
 1.35A 1lquA-3dzdA:
2.2
1lquB-3dzdA:
2.5		 1lquA-3dzdA:
22.48
1lquB-3dzdA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fcx S-FORMYLGLUTATHIONE
HYDROLASE

(Homo sapiens) 		PF00756
(Esterase) 		4 SER A  52
ALA A  80
ASP A  82
GLU A  58
 None
 1.01A 1lquA-3fcxA:
undetectable
1lquB-3fcxA:
undetectable		 1lquA-3fcxA:
21.12
1lquB-3fcxA:
21.12
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.
3gaf 7-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		4 SER A 145
ASN A 167
ALA A 164
GLU A 150
 None
 1.21A 1lquA-3gafA:
5.8
1lquB-3gafA:
5.2		 1lquA-3gafA:
20.92
1lquB-3gafA:
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.
3k31 ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE

(Anaplasma
phagocytophilum) 		PF13561
(adh_short_C2) 		4 SER A  22
ASN A  19
ALA A  18
ASP A  20
 None
None
NAD  A 300 ( 4.1A)
None
 1.15A 1lquA-3k31A:
5.2
1lquB-3k31A:
3.6		 1lquA-3k31A:
22.57
1lquB-3k31A:
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.
3l6c SERINE RACEMASE

(Rattus
norvegicus) 		PF00291
(PALP) 		4 SER A 243
ASN A 229
ALA A 214
GLU A 210
 None
MN  A 340 ( 4.6A)
MN  A 340 (-4.0A)
MN  A 340 (-3.0A)
 1.37A 1lquA-3l6cA:
undetectable
1lquB-3l6cA:
undetectable		 1lquA-3l6cA:
23.23
1lquB-3l6cA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m49 TRANSKETOLASE

(Bacillus
anthracis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASN A 140
ALA A 136
ASP A 148
GLU A 132
 None
 1.27A 1lquA-3m49A:
undetectable
1lquB-3m49A:
undetectable		 1lquA-3m49A:
21.36
1lquB-3m49A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ozq SERPIN48

(Tenebrio
molitor) 		PF00079
(Serpin) 		4 SER A 335
ALA A 341
ASP A 333
GLU A 340
 None
 1.48A 1lquA-3ozqA:
undetectable
1lquB-3ozqA:
undetectable		 1lquA-3ozqA:
22.27
1lquB-3ozqA:
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.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASN A 158
ALA A 154
ASP A 166
GLU A 150
 None
 1.23A 1lquA-3uk1A:
3.3
1lquB-3uk1A:
undetectable		 1lquA-3uk1A:
21.36
1lquB-3uk1A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 SER A1247
ASN A 979
ALA A 975
ASP A1182
 None
 1.42A 1lquA-3zyvA:
undetectable
1lquB-3zyvA:
undetectable		 1lquA-3zyvA:
17.22
1lquB-3zyvA:
17.22
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.
4b6g PUTATIVE ESTERASE

(Neisseria
meningitidis) 		PF00756
(Esterase) 		4 SER A  50
ALA A  78
ASP A  80
GLU A  56
 None
 1.12A 1lquA-4b6gA:
undetectable
1lquB-4b6gA:
undetectable		 1lquA-4b6gA:
18.22
1lquB-4b6gA:
18.22
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.
4i5j SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'' SUBUNIT ALPHA

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 ASN A 306
ALA A 309
ASP A 307
GLU A 438
 None
 1.27A 1lquA-4i5jA:
undetectable
1lquB-4i5jA:
undetectable		 1lquA-4i5jA:
20.69
1lquB-4i5jA:
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.
4kqc PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Brachyspira
murdochii) 		PF13407
(Peripla_BP_4) 		4 ASN A 234
ALA A 236
ASP A 272
GLU A 235
 None
 1.36A 1lquA-4kqcA:
3.2
1lquB-4kqcA:
4.7		 1lquA-4kqcA:
25.86
1lquB-4kqcA:
25.86
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.
4lba CONJUGATIVE
TRANSPOSON
LIPOPROTEIN

(Bacteroides
eggerthii) 		PF12988
(DUF3872) 		4 ASN A 145
ALA A 123
ASP A 121
GLU A 122
 None
 1.28A 1lquA-4lbaA:
undetectable
1lquB-4lbaA:
undetectable		 1lquA-4lbaA:
15.06
1lquB-4lbaA:
15.06
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.
4on1 PUTATIVE
METALLOPROTEASE II

(Bacteroides
fragilis) 		PF00413
(Peptidase_M10)
PF16376
(fragilysinNterm) 		4 SER A 383
ASN A 386
ALA A 359
GLU A 360
 None
 1.44A 1lquA-4on1A:
3.0
1lquB-4on1A:
3.2		 1lquA-4on1A:
20.68
1lquB-4on1A:
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.
4per RIBONUCLEASE
INHIBITOR
ANGIOGENIN

(Gallus gallus;
Gallus gallus) 		PF13516
(LRR_6)
PF00074
(RnaseA) 		4 SER B  90
ASN B  28
ALA B  24
GLU A 145
 None
 1.07A 1lquA-4perB:
undetectable
1lquB-4perB:
undetectable		 1lquA-4perB:
13.02
1lquB-4perB:
13.02
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.
4pm3 AM32

(Enterococcus
faecalis) 		no annotation 4 SER A  70
ALA A  81
ASP A  77
GLU A  78
 None
 1.32A 1lquA-4pm3A:
undetectable
1lquB-4pm3A:
undetectable		 1lquA-4pm3A:
14.62
1lquB-4pm3A:
14.62
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 ASN A 169
ALA A 166
ASP A 170
GLU A 171
 None
 1.50A 1lquA-4r1dA:
undetectable
1lquB-4r1dA:
undetectable		 1lquA-4r1dA:
22.30
1lquB-4r1dA:
22.30
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.
4rk9 CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN MSME

(Bacillus
licheniformis) 		PF01547
(SBP_bac_1) 		4 ASN A 281
ALA A 260
ASP A 283
GLU A 262
 None
 1.30A 1lquA-4rk9A:
undetectable
1lquB-4rk9A:
undetectable		 1lquA-4rk9A:
22.47
1lquB-4rk9A:
22.47
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.
4ru0 PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		4 SER A 118
ASN A 147
ALA A 138
GLU A 137
 None
 1.35A 1lquA-4ru0A:
4.4
1lquB-4ru0A:
3.9		 1lquA-4ru0A:
24.04
1lquB-4ru0A:
24.04
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.
4thi PROTEIN (THIAMINASE
I)

(Bacillus
subtilis) 		PF01547
(SBP_bac_1) 		4 SER A 259
ALA A 262
ASP A 130
GLU A 134
 None
 1.29A 1lquA-4thiA:
undetectable
1lquB-4thiA:
undetectable		 1lquA-4thiA:
22.93
1lquB-4thiA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
fructosivorans) 		PF00374
(NiFeSe_Hases) 		4 SER Q 449
ASN Q  98
ALA Q  97
ASP Q 453
 None
 1.22A 1lquA-4upeQ:
undetectable
1lquB-4upeQ:
undetectable		 1lquA-4upeQ:
24.70
1lquB-4upeQ:
24.70
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.
4v36 LYSYL-TRNA-DEPENDENT
L-YSYL-PHOSPHATIDYLG
YCEROL SYNTHASE

(Bacillus
licheniformis) 		PF09924
(DUF2156) 		4 ASN A 544
ALA A 545
ASP A 581
GLU A 613
 None
 1.48A 1lquA-4v36A:
undetectable
1lquB-4v36A:
undetectable		 1lquA-4v36A:
21.71
1lquB-4v36A:
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.
4wj3 ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT C

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02686
(Glu-tRNAGln) 		4 ASN B  52
ALA B  55
ASP C  65
GLU B  54
 None
 1.37A 1lquA-4wj3B:
undetectable
1lquB-4wj3B:
undetectable		 1lquA-4wj3B:
22.65
1lquB-4wj3B:
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.
4xeu TRANSKETOLASE

(Pseudomonas
aeruginosa) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASN A 138
ALA A 134
ASP A 146
GLU A 130
 None
 1.24A 1lquA-4xeuA:
2.8
1lquB-4xeuA:
3.3		 1lquA-4xeuA:
21.21
1lquB-4xeuA:
21.21
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.
4ztb PROTEASE NSP2

(Chikungunya
virus) 		PF01707
(Peptidase_C9) 		4 SER A  66
ASN A  91
ALA A  94
GLU A  93
 None
 1.41A 1lquA-4ztbA:
undetectable
1lquB-4ztbA:
undetectable		 1lquA-4ztbA:
20.39
1lquB-4ztbA:
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.
5aa6 VANADIUM-DEPENDENT
BROMOPEROXIDASE 2

(Ascophyllum
nodosum) 		no annotation 4 SER A 481
ASN A 482
ALA A 484
ASP A 487
 None
 1.39A 1lquA-5aa6A:
undetectable
1lquB-5aa6A:
undetectable		 1lquA-5aa6A:
22.55
1lquB-5aa6A:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		4 ASN A 204
ALA A 216
ASP A 206
GLU A 214
 None
 1.27A 1lquA-5aeeA:
undetectable
1lquB-5aeeA:
undetectable		 1lquA-5aeeA:
21.81
1lquB-5aeeA:
21.81
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.
5gnx BETA-GLUCOSIDASE

(metagenome) 		PF00232
(Glyco_hydro_1) 		4 SER A  88
ALA A 131
ASP A  41
GLU A  37
 None
 1.43A 1lquA-5gnxA:
undetectable
1lquB-5gnxA:
undetectable		 1lquA-5gnxA:
24.00
1lquB-5gnxA:
24.00
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 SER A 684
ASN A 689
ALA A  57
ASP A 688
 None
None
NAG  A 901 ( 3.8A)
None
 1.26A 1lquA-5ju6A:
undetectable
1lquB-5ju6A:
2.2		 1lquA-5ju6A:
21.72
1lquB-5ju6A:
21.72
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.
5jx5 GLUCANASE

(Orpinomyces sp.
Y102) 		PF01341
(Glyco_hydro_6) 		4 SER A 423
ASN A 375
ALA A 427
ASP A 409
 None
 1.35A 1lquA-5jx5A:
undetectable
1lquB-5jx5A:
undetectable		 1lquA-5jx5A:
21.48
1lquB-5jx5A:
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.
5t9j FLAP ENDONUCLEASE
GEN HOMOLOG 1

(Homo sapiens) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 SER A  32
ASN A  30
ALA A 135
GLU A 134
 MG  A 608 ( 4.8A)
MG  A 608 ( 3.9A)
MG  A 608 ( 4.2A)
MG  A 608 (-1.7A)
 1.20A 1lquA-5t9jA:
undetectable
1lquB-5t9jA:
undetectable		 1lquA-5t9jA:
20.22
1lquB-5t9jA:
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.
5u9c DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Yersinia
enterocolitica) 		PF04321
(RmlD_sub_bind) 		4 SER A 130
ASN A  80
ALA A  62
GLU A  63
 None
 1.42A 1lquA-5u9cA:
3.4
1lquB-5u9cA:
3.2		 1lquA-5u9cA:
22.39
1lquB-5u9cA:
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.
5v6n PROTON-GATED ION
CHANNEL

(Gloeobacter
violaceus) 		no annotation 4 SER C 218
ASN C 224
ALA C 223
GLU C 222
 None
 1.03A 1lquA-5v6nC:
undetectable
1lquB-5v6nC:
undetectable		 1lquA-5v6nC:
22.34
1lquB-5v6nC:
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.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASN A 135
ALA A 131
ASP A 143
GLU A 127
 None
 1.24A 1lquA-5vrbA:
undetectable
1lquB-5vrbA:
undetectable		 1lquA-5vrbA:
21.91
1lquB-5vrbA:
21.91
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 4 SER A 725
ASN A 753
ALA A 761
ASP A 754
 None
 1.21A 1lquA-5wugA:
undetectable
1lquB-5wugA:
undetectable		 1lquA-5wugA:
undetectable
1lquB-5wugA:
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.
5xau LAMININ SUBUNIT
ALPHA-5

(Homo sapiens) 		PF02210
(Laminin_G_2)
PF06009
(Laminin_II) 		4 SER A3263
ASN A3264
ALA A2758
ASP A2755
 None
 1.18A 1lquA-5xauA:
undetectable
1lquB-5xauA:
undetectable		 1lquA-5xauA:
21.02
1lquB-5xauA:
21.02
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.
6b9r HYDROXYETHYLPHOSPHON
ATE DIOXYGENASE

(Streptomyces
albus) 		no annotation 4 ASN A  31
ALA A  34
ASP A  32
GLU A  36
 None
 1.36A 1lquA-6b9rA:
undetectable
1lquB-6b9rA:
undetectable		 1lquA-6b9rA:
undetectable
1lquB-6b9rA:
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.
6g1t -

(-) 		no annotation 4 SER A  70
ALA A  81
ASP A  77
GLU A  78
 None
 1.31A 1lquA-6g1tA:
undetectable
1lquB-6g1tA:
undetectable		 1lquA-6g1tA:
undetectable
1lquB-6g1tA:
undetectable