SIMILAR PATTERNS OF AMINO ACIDS FOR 2QL8_A_BEZA143

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.
1bo4 PROTEIN (SERRATIA
MARCESCENS
AMINOGLYCOSIDE-3-N-A
CETYLTRANSFERASE)

(Serratia
marcescens) 		PF00583
(Acetyltransf_1) 		4 ALA A 125
THR A 124
ALA A 123
ARG A 119
 None
COA  A 300 ( 3.6A)
COA  A 300 ( 3.2A)
COA  A 300 ( 4.0A)
 0.99A 2ql8A-1bo4A:
undetectable
2ql8B-1bo4A:
2.2		 2ql8A-1bo4A:
25.15
2ql8B-1bo4A:
25.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 ALA A 307
THR A 306
ALA A 309
ARG A 280
 None
 0.99A 2ql8A-1cygA:
0.0
2ql8B-1cygA:
0.0		 2ql8A-1cygA:
11.65
2ql8B-1cygA:
11.65
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.
1ebl BETA-KETOACYL-ACP
SYNTHASE III

(Escherichia
coli) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ALA A 255
THR A 254
ALA A 253
PRO A 243
 None
 0.83A 2ql8A-1eblA:
0.0
2ql8B-1eblA:
0.0		 2ql8A-1eblA:
19.48
2ql8B-1eblA:
19.48
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.
1hbz CATALASE

(Micrococcus
luteus) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ALA A 342
ALA A 346
PRO A 321
ARG A  58
 HEM  A 504 ( 3.9A)
HEM  A 504 ( 3.8A)
None
HEM  A 504 (-4.0A)
 0.95A 2ql8A-1hbzA:
undetectable
2ql8B-1hbzA:
0.0		 2ql8A-1hbzA:
13.45
2ql8B-1hbzA:
13.45
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.
1iir GLYCOSYLTRANSFERASE
GTFB

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		4 ALA A  79
THR A  82
ALA A  81
PRO A  55
 None
 0.97A 2ql8A-1iirA:
undetectable
2ql8B-1iirA:
undetectable		 2ql8A-1iirA:
17.66
2ql8B-1iirA:
17.66
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.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		4 ALA A  60
THR A  61
ALA A  26
ARG A  27
 None
 0.84A 2ql8A-1jdzA:
1.1
2ql8B-1jdzA:
1.1		 2ql8A-1jdzA:
21.78
2ql8B-1jdzA:
21.78
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.
1kwm PROCARBOXYPEPTIDASE
B

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ALA A 223
THR A 226
ALA A 225
TYR A 303
 None
 0.99A 2ql8A-1kwmA:
0.0
2ql8B-1kwmA:
1.5		 2ql8A-1kwmA:
16.29
2ql8B-1kwmA:
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.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		4 ALA A 280
THR A 281
ALA A 284
PRO A 332
 None
 0.96A 2ql8A-1lfwA:
0.6
2ql8B-1lfwA:
0.0		 2ql8A-1lfwA:
14.04
2ql8B-1lfwA:
14.04
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.
1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE

(Salvia
officinalis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ALA A 546
THR A 545
ALA A 548
ARG A 161
 None
 0.86A 2ql8A-1n21A:
undetectable
2ql8B-1n21A:
undetectable		 2ql8A-1n21A:
14.40
2ql8B-1n21A:
14.40
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.
1pxy FIMBRIN-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF00307
(CH) 		4 ALA A 319
THR A 320
ALA A 323
ARG A 329
 None
 0.84A 2ql8A-1pxyA:
undetectable
2ql8B-1pxyA:
undetectable		 2ql8A-1pxyA:
15.32
2ql8B-1pxyA:
15.32
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.
1q5d P450 EPOXIDASE

(Sorangium
cellulosum) 		PF00067
(p450) 		4 ALA A 180
THR A 179
ALA A 178
ARG A 174
 EPB  A 450 (-3.3A)
None
None
None
 0.99A 2ql8A-1q5dA:
undetectable
2ql8B-1q5dA:
0.0		 2ql8A-1q5dA:
14.94
2ql8B-1q5dA:
14.94
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.
1qu9 YJGF PROTEIN

(Escherichia
coli) 		PF01042
(Ribonuc_L-PSP) 		4 ALA A  89
THR A  90
ALA A  93
ARG A  51
 None
 0.46A 2ql8A-1qu9A:
undetectable
2ql8B-1qu9A:
undetectable		 2ql8A-1qu9A:
25.00
2ql8B-1qu9A:
25.00
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.
1qy9 HYPOTHETICAL PROTEIN
YDDE

(Escherichia
coli) 		PF02567
(PhzC-PhzF) 		4 ALA A  75
THR A  76
ALA A  79
ARG A  83
 None
 0.84A 2ql8A-1qy9A:
undetectable
2ql8B-1qy9A:
undetectable		 2ql8A-1qy9A:
18.52
2ql8B-1qy9A:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1si8 CATALASE

(Enterococcus
faecalis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ALA A 336
ALA A 340
PRO A 315
ARG A  51
 HEM  A 501 ( 3.9A)
HEM  A 501 (-3.6A)
None
HEM  A 501 (-4.0A)
 0.86A 2ql8A-1si8A:
undetectable
2ql8B-1si8A:
undetectable		 2ql8A-1si8A:
15.16
2ql8B-1si8A:
15.16
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.
1t8w AMP NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1)
PF10423
(AMNp_N) 		4 ALA A 407
THR A 408
ALA A 411
PRO A 282
 None
 0.98A 2ql8A-1t8wA:
undetectable
2ql8B-1t8wA:
undetectable		 2ql8A-1t8wA:
13.79
2ql8B-1t8wA:
13.79
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.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 ALA A 384
THR A 369
ALA A 372
ARG A 376
 None
 0.98A 2ql8A-1up4A:
undetectable
2ql8B-1up4A:
undetectable		 2ql8A-1up4A:
17.12
2ql8B-1up4A:
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.
1us4 PUTATIVE GLUR0
LIGAND BINDING CORE

(Thermus
thermophilus) 		PF16868
(NMT1_3) 		4 ALA A  36
THR A  37
ALA A  40
ARG A  51
 None
 0.59A 2ql8A-1us4A:
2.0
2ql8B-1us4A:
2.0		 2ql8A-1us4A:
18.54
2ql8B-1us4A:
18.54
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.
1y11 HYPOTHETICAL PROTEIN
RV1264/MT1302

(Mycobacterium
tuberculosis) 		PF00211
(Guanylate_cyc)
PF16701
(Ad_Cy_reg) 		4 THR A 196
ALA A 198
ARG A 214
PRO A 272
 None
 1.00A 2ql8A-1y11A:
undetectable
2ql8B-1y11A:
2.6		 2ql8A-1y11A:
18.48
2ql8B-1y11A:
18.48
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.
1zy9 ALPHA-GALACTOSIDASE

(Thermotoga
maritima) 		PF02065
(Melibiase) 		4 ALA A 403
ALA A 407
PRO A 390
TYR A 191
 None
 0.99A 2ql8A-1zy9A:
undetectable
2ql8B-1zy9A:
undetectable		 2ql8A-1zy9A:
12.34
2ql8B-1zy9A:
12.34
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.
2bid PROTEIN (BID)

(Homo sapiens) 		PF06393
(BID) 		4 ALA A 132
THR A 131
ALA A 130
ARG A 127
 None
 0.97A 2ql8A-2bidA:
undetectable
2ql8B-2bidA:
undetectable		 2ql8A-2bidA:
22.62
2ql8B-2bidA:
22.62
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.
2cuh TENASCIN-X

(Homo sapiens) 		PF00041
(fn3) 		4 THR A  12
ALA A  88
PRO A  31
ARG A  77
 None
 0.89A 2ql8A-2cuhA:
undetectable
2ql8B-2cuhA:
undetectable		 2ql8A-2cuhA:
22.22
2ql8B-2cuhA:
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.
2i14 NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 ALA A 118
THR A 117
ALA A 116
PRO A  48
 None
 0.80A 2ql8A-2i14A:
undetectable
2ql8B-2i14A:
undetectable		 2ql8A-2i14A:
17.35
2ql8B-2i14A:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isa CATALASE

(Aliivibrio
salmonicida) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ALA A 336
ALA A 340
PRO A 315
ARG A  51
 HEM  A 486 ( 3.8A)
HEM  A 486 ( 3.7A)
None
HEM  A 486 (-4.1A)
 1.00A 2ql8A-2isaA:
undetectable
2ql8B-2isaA:
undetectable		 2ql8A-2isaA:
14.93
2ql8B-2isaA:
14.93
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.
2jok PUTATIVE
G-NUCLEOTIDE
EXCHANGE FACTOR

(Burkholderia
pseudomallei) 		PF07487
(SopE_GEF) 		4 ALA A 117
THR A 118
ALA A 121
ARG A 207
 None
 0.87A 2ql8A-2jokA:
undetectable
2ql8B-2jokA:
undetectable		 2ql8A-2jokA:
20.00
2ql8B-2jokA:
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.
2qc3 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Mycobacterium
tuberculosis) 		PF00698
(Acyl_transf_1) 		4 ALA A  66
THR A  67
ALA A  70
PRO A   7
 None
 0.60A 2ql8A-2qc3A:
undetectable
2ql8B-2qc3A:
undetectable		 2ql8A-2qc3A:
18.58
2ql8B-2qc3A:
18.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ql8 PUTATIVE REDOX
PROTEIN

(Lactobacillus
paracasei) 		PF02566
(OsmC) 		5 ALA A  61
THR A  62
ALA A  65
ARG A 119
PRO A 121
 BEZ  A 143 ( 4.0A)
BEZ  A 143 (-3.4A)
BEZ  A 143 (-3.6A)
BEZ  A 143 (-3.9A)
None
 0.00A 2ql8A-2ql8A:
24.6
2ql8B-2ql8A:
23.4		 2ql8A-2ql8A:
100.00
2ql8B-2ql8A:
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.
2wnw ACTIVATED BY
TRANSCRIPTION FACTOR
SSRB

(Salmonella
enterica) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 ALA A 215
THR A 214
ALA A 217
TYR A 208
 None
 0.94A 2ql8A-2wnwA:
undetectable
2ql8B-2wnwA:
undetectable		 2ql8A-2wnwA:
16.85
2ql8B-2wnwA:
16.85
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.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE

(Thermus
thermophilus) 		PF03747
(ADP_ribosyl_GH) 		4 ALA A 104
THR A 105
ALA A 108
PRO A 130
 None
 0.86A 2ql8A-2yzwA:
undetectable
2ql8B-2yzwA:
undetectable		 2ql8A-2yzwA:
19.27
2ql8B-2yzwA:
19.27
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.
3c7m THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBA-LIKE

(Escherichia
coli) 		PF01323
(DSBA) 		4 ALA A  99
ALA A 103
ARG A 110
TYR A  27
 None
None
CL  A 204 ( 3.7A)
None
 0.97A 2ql8A-3c7mA:
undetectable
2ql8B-3c7mA:
undetectable		 2ql8A-3c7mA:
20.00
2ql8B-3c7mA:
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.
3ceg BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 6

(Homo sapiens) 		PF00179
(UQ_con) 		4 ALA A4706
THR A4707
ALA A4711
PRO A4592
 None
 0.89A 2ql8A-3cegA:
undetectable
2ql8B-3cegA:
undetectable		 2ql8A-3cegA:
16.51
2ql8B-3cegA:
16.51
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.
3du4 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		4 ALA A  89
THR A  90
ALA A  93
ARG A 106
 None
 0.88A 2ql8A-3du4A:
undetectable
2ql8B-3du4A:
undetectable		 2ql8A-3du4A:
15.45
2ql8B-3du4A:
15.45
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.
3f8r THIOREDOXIN
REDUCTASE (TRXB-3)

(Sulfolobus
solfataricus) 		PF07992
(Pyr_redox_2) 		4 ALA A 301
THR A 300
ALA A 303
TYR A  61
 NAP  A4005 ( 4.0A)
None
None
None
 0.92A 2ql8A-3f8rA:
undetectable
2ql8B-3f8rA:
undetectable		 2ql8A-3f8rA:
18.69
2ql8B-3f8rA:
18.69
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.
3hxl UNCHARACTERIZED
PROTEIN DSY3957

(Desulfitobacterium
hafniense) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		4 ALA A 214
THR A 215
ALA A 218
ARG A 222
 None
 0.95A 2ql8A-3hxlA:
undetectable
2ql8B-3hxlA:
undetectable		 2ql8A-3hxlA:
18.05
2ql8B-3hxlA:
18.05
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.
3i09 PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Burkholderia
mallei) 		PF13458
(Peripla_BP_6) 		4 ALA A 107
THR A 106
ALA A 105
TYR A  40
 None
None
None
AAE  A 501 ( 4.0A)
 0.94A 2ql8A-3i09A:
undetectable
2ql8B-3i09A:
undetectable		 2ql8A-3i09A:
15.92
2ql8B-3i09A:
15.92
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.
3il3 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Haemophilus
influenzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ALA A 254
THR A 253
ALA A 252
PRO A 242
 None
 0.80A 2ql8A-3il3A:
undetectable
2ql8B-3il3A:
undetectable		 2ql8A-3il3A:
19.42
2ql8B-3il3A:
19.42
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.
3im8 MALONYL ACYL CARRIER
PROTEIN TRANSACYLASE

(Streptococcus
pneumoniae) 		PF00698
(Acyl_transf_1) 		4 ALA A  67
THR A  68
ALA A  71
TYR A  23
 None
 0.98A 2ql8A-3im8A:
undetectable
2ql8B-3im8A:
undetectable		 2ql8A-3im8A:
17.81
2ql8B-3im8A:
17.81
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.
3k0s DNA MISMATCH REPAIR
PROTEIN MUTS

(Escherichia
coli) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 ALA A 146
THR A 147
ALA A 134
ARG A 193
 None
 0.95A 2ql8A-3k0sA:
1.6
2ql8B-3k0sA:
undetectable		 2ql8A-3k0sA:
10.35
2ql8B-3k0sA:
10.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis;
Alcaligenes
faecalis) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		4 ALA A 156
THR A 155
ALA A 158
TYR B 137
 None
 0.94A 2ql8A-3ml0A:
undetectable
2ql8B-3ml0A:
undetectable		 2ql8A-3ml0A:
18.81
2ql8B-3ml0A:
18.81
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.
3msu CITRATE SYNTHASE

(Francisella
tularensis) 		PF00285
(Citrate_synt) 		4 ALA A 172
THR A 173
ALA A 176
PRO A 118
 None
 0.97A 2ql8A-3msuA:
undetectable
2ql8B-3msuA:
undetectable		 2ql8A-3msuA:
16.99
2ql8B-3msuA:
16.99
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.
3mwb PREPHENATE
DEHYDRATASE

(Paenarthrobacter
aurescens) 		PF00800
(PDT)
PF01842
(ACT) 		4 ALA A  66
THR A  67
ALA A  70
PRO A  55
 None
 0.98A 2ql8A-3mwbA:
undetectable
2ql8B-3mwbA:
undetectable		 2ql8A-3mwbA:
19.37
2ql8B-3mwbA:
19.37
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.
3ouk PROBABLE CONSERVED
TRANSMEMBRANE
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 4 ALA A 259
THR A 260
ALA A 263
ARG A 129
 None
 0.79A 2ql8A-3oukA:
undetectable
2ql8B-3oukA:
undetectable		 2ql8A-3oukA:
18.35
2ql8B-3oukA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfd ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A 244
THR A 243
ALA A 246
ARG A 110
 None
 0.84A 2ql8A-3pfdA:
undetectable
2ql8B-3pfdA:
undetectable		 2ql8A-3pfdA:
15.45
2ql8B-3pfdA:
15.45
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.
3pvv CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA

(Mycobacterium
tuberculosis) 		PF08299
(Bac_DnaA_C) 		4 ALA A 414
THR A 415
ALA A 418
ARG A 504
 None
 0.58A 2ql8A-3pvvA:
undetectable
2ql8B-3pvvA:
undetectable		 2ql8A-3pvvA:
21.48
2ql8B-3pvvA:
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.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		4 ALA A 444
THR A 445
ALA A 448
PRO A 423
 None
 0.96A 2ql8A-3q9oA:
undetectable
2ql8B-3q9oA:
undetectable		 2ql8A-3q9oA:
13.93
2ql8B-3q9oA:
13.93
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.
3qh4 ESTERASE LIPW

(Mycobacterium
marinum) 		PF07859
(Abhydrolase_3) 		4 ALA A 165
THR A 166
ALA A 169
ARG A 237
 None
 0.82A 2ql8A-3qh4A:
undetectable
2ql8B-3qh4A:
undetectable		 2ql8A-3qh4A:
19.24
2ql8B-3qh4A:
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.
3qka ENOYL-COA HYDRATASE,
ECHA5

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		4 ALA A  51
THR A  14
ALA A  48
ARG A   9
 None
 0.92A 2ql8A-3qkaA:
undetectable
2ql8B-3qkaA:
undetectable		 2ql8A-3qkaA:
17.90
2ql8B-3qkaA:
17.90
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.
3r9j SEPTUM
SITE-DETERMINING
PROTEIN MIND

(Escherichia
coli) 		PF01656
(CbiA) 		4 ALA A  24
THR A  25
ALA A  28
PRO A 226
 None
 0.85A 2ql8A-3r9jA:
undetectable
2ql8B-3r9jA:
undetectable		 2ql8A-3r9jA:
19.92
2ql8B-3r9jA:
19.92
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		4 ALA A  69
THR A  68
ALA A  85
PRO A 101
 None
 0.98A 2ql8A-3silA:
undetectable
2ql8B-3silA:
undetectable		 2ql8A-3silA:
17.50
2ql8B-3silA:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tts BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 ALA A 288
THR A 287
ALA A 290
PRO A 283
 None
 0.98A 2ql8A-3ttsA:
undetectable
2ql8B-3ttsA:
undetectable		 2ql8A-3ttsA:
11.28
2ql8B-3ttsA:
11.28
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.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		4 ALA B 575
THR B 574
ALA B 741
TYR B 569
 None
 0.97A 2ql8A-3v0aB:
undetectable
2ql8B-3v0aB:
undetectable		 2ql8A-3v0aB:
8.03
2ql8B-3v0aB:
8.03
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.
3vex O-CARBAMOYLTRANSFERA
SE TOBZ

(Streptoalloteichus
tenebrarius) 		PF02543
(Carbam_trans_N)
PF16861
(Carbam_trans_C) 		4 ALA A 279
THR A 280
ALA A 283
ARG A 287
 None
 0.99A 2ql8A-3vexA:
undetectable
2ql8B-3vexA:
undetectable		 2ql8A-3vexA:
13.53
2ql8B-3vexA:
13.53
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.
3vex O-CARBAMOYLTRANSFERA
SE TOBZ

(Streptoalloteichus
tenebrarius) 		PF02543
(Carbam_trans_N)
PF16861
(Carbam_trans_C) 		4 ALA A 281
THR A 280
ALA A 279
TYR A 245
 None
 0.97A 2ql8A-3vexA:
undetectable
2ql8B-3vexA:
undetectable		 2ql8A-3vexA:
13.53
2ql8B-3vexA:
13.53
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.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		4 ALA A 443
THR A 442
ARG A 103
TYR A 102
 None
 0.92A 2ql8A-3vilA:
undetectable
2ql8B-3vilA:
undetectable		 2ql8A-3vilA:
15.04
2ql8B-3vilA:
15.04
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.
4a0w T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Bos taurus) 		PF00118
(Cpn60_TCP1) 		4 ALA A 120
THR A 121
ALA A 124
ARG A 488
 None
 0.94A 2ql8A-4a0wA:
undetectable
2ql8B-4a0wA:
undetectable		 2ql8A-4a0wA:
15.05
2ql8B-4a0wA:
15.05
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.
4ast ALDO-KETO REDUCTASE
AKR14A1

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		4 ALA A 150
THR A 149
ALA A 152
PRO A 145
 None
 0.88A 2ql8A-4astA:
undetectable
2ql8B-4astA:
undetectable		 2ql8A-4astA:
17.31
2ql8B-4astA:
17.31
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.
4co6 NUCLEOPROTEIN

(Nipah
henipavirus) 		PF00973
(Paramyxo_ncap) 		4 ALA A 269
THR A 270
ALA A 334
PRO A 324
 None
 0.90A 2ql8A-4co6A:
undetectable
2ql8B-4co6A:
undetectable		 2ql8A-4co6A:
17.95
2ql8B-4co6A:
17.95
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.
4dez DNA POLYMERASE IV 1

(Mycolicibacterium
smegmatis) 		PF00817
(IMS) 		4 ALA A 154
THR A 155
ALA A 158
ARG A 129
 None
 0.82A 2ql8A-4dezA:
undetectable
2ql8B-4dezA:
undetectable		 2ql8A-4dezA:
18.55
2ql8B-4dezA:
18.55
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		4 ALA B 613
THR B 614
ALA B 617
PRO B 555
 None
 0.58A 2ql8A-4g7eB:
undetectable
2ql8B-4g7eB:
undetectable		 2ql8A-4g7eB:
10.60
2ql8B-4g7eB:
10.60
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.
4gji L-RHAMNOSE ISOMERASE

(Pseudomonas
stutzeri) 		no annotation 4 ALA A 404
THR A 405
ALA A 408
ARG A  13
 None
 0.90A 2ql8A-4gjiA:
undetectable
2ql8B-4gjiA:
undetectable		 2ql8A-4gjiA:
16.92
2ql8B-4gjiA:
16.92
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.
4hh1 APPA PROTEIN

(Rhodobacter
sphaeroides) 		PF04940
(BLUF) 		4 ALA A 221
THR A 220
ALA A 218
ARG A 188
 None
 0.97A 2ql8A-4hh1A:
undetectable
2ql8B-4hh1A:
undetectable		 2ql8A-4hh1A:
16.42
2ql8B-4hh1A:
16.42
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.
4hvn HYPOTHETICAL PROTEIN

(Catenulispora
acidiphila) 		PF12680
(SnoaL_2) 		4 ALA A   9
THR A   8
ALA A  11
PRO A   4
 None
 0.96A 2ql8A-4hvnA:
undetectable
2ql8B-4hvnA:
undetectable		 2ql8A-4hvnA:
22.84
2ql8B-4hvnA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jn7 ENOLASE

(Agrobacterium
tumefaciens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A 301
THR A 300
ALA A 299
ARG A  18
 None
 0.96A 2ql8A-4jn7A:
undetectable
2ql8B-4jn7A:
undetectable		 2ql8A-4jn7A:
18.78
2ql8B-4jn7A:
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.
4kk7 ESX-1 SECRETION
SYSTEM PROTEIN ECCB1

(Mycobacterium
tuberculosis) 		PF05108
(T7SS_ESX1_EccB) 		4 ALA A 291
THR A 292
ALA A 295
PRO A 332
 None
 0.62A 2ql8A-4kk7A:
undetectable
2ql8B-4kk7A:
undetectable		 2ql8A-4kk7A:
18.91
2ql8B-4kk7A:
18.91
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.
4kzy 40S RIBOSOMAL
PROTEIN S2

(Oryctolagus
cuniculus) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		4 ALA C 224
THR C 225
ALA C 228
PRO C 195
 None
 0.70A 2ql8A-4kzyC:
undetectable
2ql8B-4kzyC:
undetectable		 2ql8A-4kzyC:
20.24
2ql8B-4kzyC:
20.24
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.
4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ALA A 240
THR A 245
ALA A 246
PRO A 105
 None
PYR  A 402 ( 3.8A)
PYR  A 402 ( 3.6A)
None
 1.00A 2ql8A-4nd4A:
undetectable
2ql8B-4nd4A:
3.5		 2ql8A-4nd4A:
19.81
2ql8B-4nd4A:
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.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 ALA D  64
THR D  63
ALA D  80
TYR D  40
 None
 0.80A 2ql8A-4ngeD:
4.1
2ql8B-4ngeD:
4.1		 2ql8A-4ngeD:
9.49
2ql8B-4ngeD:
9.49
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.
4nhd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 1

(Vibrio cholerae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ALA A 254
THR A 253
ALA A 252
PRO A 242
 None
 0.80A 2ql8A-4nhdA:
undetectable
2ql8B-4nhdA:
undetectable		 2ql8A-4nhdA:
17.87
2ql8B-4nhdA:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmz XYLANASE

(Xanthomonas
citri) 		PF00331
(Glyco_hydro_10) 		4 ALA A 263
ALA A 267
PRO A 260
ARG A 271
 None
 1.00A 2ql8A-4pmzA:
undetectable
2ql8B-4pmzA:
undetectable		 2ql8A-4pmzA:
18.73
2ql8B-4pmzA:
18.73
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.
4qfe ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		4 ALA A  51
THR A  14
ALA A  48
ARG A   9
 None
 0.90A 2ql8A-4qfeA:
undetectable
2ql8B-4qfeA:
undetectable		 2ql8A-4qfeA:
19.69
2ql8B-4qfeA:
19.69
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.
4qmk TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN EXOU

(Pseudomonas
fluorescens) 		PF01734
(Patatin) 		4 ALA A 202
THR A 201
ALA A 204
PRO A 197
 None
 0.88A 2ql8A-4qmkA:
undetectable
2ql8B-4qmkA:
undetectable		 2ql8A-4qmkA:
11.32
2ql8B-4qmkA:
11.32
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.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00668
(Condensation) 		4 ALA B 421
ALA B 233
ARG B  35
PRO B 229
 None
 0.96A 2ql8A-4tx2B:
undetectable
2ql8B-4tx2B:
1.9		 2ql8A-4tx2B:
14.29
2ql8B-4tx2B:
14.29
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.
4w9r UNCHARACTERIZED
PROTEIN

(Capnocytophaga
ochracea) 		PF00756
(Esterase) 		4 ALA A 299
THR A 300
ALA A 303
TYR A 274
 None
 0.88A 2ql8A-4w9rA:
undetectable
2ql8B-4w9rA:
undetectable		 2ql8A-4w9rA:
17.09
2ql8B-4w9rA:
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.
4xni DI-OR TRIPEPTIDE:H+
SYMPORTER

(Streptococcus
thermophilus) 		PF00854
(PTR2) 		4 ALA A 307
THR A 308
ALA A 311
ARG A  53
 None
 0.95A 2ql8A-4xniA:
undetectable
2ql8B-4xniA:
undetectable		 2ql8A-4xniA:
14.56
2ql8B-4xniA:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymk ACYL-COA DESATURASE
1

(Mus musculus) 		PF00487
(FA_desaturase) 		4 ALA A 338
THR A 339
ALA A 342
ARG A 346
 None
 0.88A 2ql8A-4ymkA:
undetectable
2ql8B-4ymkA:
undetectable		 2ql8A-4ymkA:
20.40
2ql8B-4ymkA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yv7 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 ALA A 272
THR A 273
ALA A 274
ARG A 180
TYR A 227
 None
None
None
GOL  A 401 (-3.0A)
None
 1.35A 2ql8A-4yv7A:
undetectable
2ql8B-4yv7A:
undetectable		 2ql8A-4yv7A:
18.39
2ql8B-4yv7A:
18.39
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.
4z19 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Yersinia pestis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ALA A 254
THR A 253
ALA A 252
PRO A 242
 None
 0.75A 2ql8A-4z19A:
undetectable
2ql8B-4z19A:
undetectable		 2ql8A-4z19A:
18.15
2ql8B-4z19A:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ALA A 616
ALA A 618
PRO A 648
TYR A 588
 None
 0.94A 2ql8A-4zohA:
0.7
2ql8B-4zohA:
1.8		 2ql8A-4zohA:
11.17
2ql8B-4zohA:
11.17
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		4 ALA A 690
THR A 691
ALA A 694
ARG A 698
 None
 0.72A 2ql8A-5bv9A:
undetectable
2ql8B-5bv9A:
undetectable		 2ql8A-5bv9A:
13.06
2ql8B-5bv9A:
13.06
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.
5gtm INTERFERON-INDUCED
GTP-BINDING PROTEIN
MX1

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF02212
(GED) 		4 ALA A  74
ALA A  72
ARG A  60
PRO A 106
 None
 0.87A 2ql8A-5gtmA:
undetectable
2ql8B-5gtmA:
2.6		 2ql8A-5gtmA:
12.17
2ql8B-5gtmA:
12.17
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.
5hft GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Klebsiella
pneumoniae) 		PF01019
(G_glu_transpept) 		4 ALA A 287
THR A 288
ALA A 291
ARG A 295
 None
 0.99A 2ql8A-5hftA:
undetectable
2ql8B-5hftA:
undetectable		 2ql8A-5hftA:
16.44
2ql8B-5hftA:
16.44
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.
5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Myxococcus
xanthus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 ALA A  58
THR A  59
ALA A  62
ARG A  66
 None
 0.90A 2ql8A-5hwqA:
1.0
2ql8B-5hwqA:
undetectable		 2ql8A-5hwqA:
18.02
2ql8B-5hwqA:
18.02
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.
5i5j NITROUS-OXIDE
REDUCTASE

(Shewanella
denitrificans) 		no annotation 4 ALA A 393
THR A 384
ALA A 382
PRO A 371
 None
 0.97A 2ql8A-5i5jA:
undetectable
2ql8B-5i5jA:
undetectable		 2ql8A-5i5jA:
13.81
2ql8B-5i5jA:
13.81
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.
5isx GRAMICIDIN S
SYNTHASE 1

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		4 ALA A 771
THR A 770
ALA A 769
PRO A 784
 None
 0.94A 2ql8A-5isxA:
undetectable
2ql8B-5isxA:
undetectable		 2ql8A-5isxA:
12.89
2ql8B-5isxA:
12.89
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.
5j5d 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00701
(DHDPS) 		4 ALA A  34
THR A  31
ALA A  72
ARG A  71
 None
 0.96A 2ql8A-5j5dA:
undetectable
2ql8B-5j5dA:
undetectable		 2ql8A-5j5dA:
20.15
2ql8B-5j5dA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE

(Arabidopsis
thaliana) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		4 ALA A 213
THR A 214
ALA A 164
PRO A  47
 None
 0.92A 2ql8A-5ksdA:
undetectable
2ql8B-5ksdA:
undetectable		 2ql8A-5ksdA:
11.19
2ql8B-5ksdA:
11.19
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.
5kte DIVALENT METAL
CATION TRANSPORTER
MNTH

(Deinococcus
radiodurans) 		PF01566
(Nramp) 		4 ALA A 129
THR A 130
ALA A 133
PRO A 231
 None
 0.60A 2ql8A-5kteA:
2.2
2ql8B-5kteA:
undetectable		 2ql8A-5kteA:
14.00
2ql8B-5kteA:
14.00
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.
5liq NICKING ENDONUCLEASE
N.BSPD6I

(Bacillus sp.
(in: Bacteria)) 		PF09491
(RE_AlwI) 		4 ALA A 238
THR A 241
ALA A 240
TYR A   8
 None
 0.93A 2ql8A-5liqA:
undetectable
2ql8B-5liqA:
undetectable		 2ql8A-5liqA:
14.14
2ql8B-5liqA:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m95 DIVALENT METAL
CATION TRANSPORTER
MNTH

(Staphylococcus
capitis) 		PF01566
(Nramp) 		4 ALA A 122
THR A 123
ALA A 126
PRO A 227
 None
 0.86A 2ql8A-5m95A:
undetectable
2ql8B-5m95A:
undetectable		 2ql8A-5m95A:
16.67
2ql8B-5m95A:
16.67
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.
5oon UNDECAPRENYL-DIPHOSP
HATASE

(Escherichia
coli) 		no annotation 4 ALA A 209
THR A 208
ALA A 207
ARG A 174
 None
 0.93A 2ql8A-5oonA:
undetectable
2ql8B-5oonA:
undetectable		 2ql8A-5oonA:
undetectable
2ql8B-5oonA:
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.
5opt 40S RIBOSOMAL
PROTEIN S2, PUTATIVE

(Trypanosoma
cruzi) 		no annotation 4 ALA d 220
THR d 221
ALA d 224
PRO d 191
 None
 0.80A 2ql8A-5optd:
undetectable
2ql8B-5optd:
undetectable		 2ql8A-5optd:
21.48
2ql8B-5optd:
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.
5t67 SUGAR 3-C-METHYL
TRANSFERASE

(Actinomadura
kijaniata) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		4 ALA A 158
THR A 159
ALA A 162
ARG A 151
 None
 0.88A 2ql8A-5t67A:
undetectable
2ql8B-5t67A:
undetectable		 2ql8A-5t67A:
16.35
2ql8B-5t67A:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG

(Desulfovibrio
vulgaris;
Homo sapiens) 		PF00258
(Flavodoxin_1)
PF01392
(Fz)
PF01534
(Frizzled) 		4 ALA A 250
THR A 251
ALA A 254
ARG A 547
 None
 0.97A 2ql8A-5v57A:
undetectable
2ql8B-5v57A:
undetectable		 2ql8A-5v57A:
12.38
2ql8B-5v57A:
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.
5vrf CADMIUM AND ZINC
EFFLUX PUMP FIEF

(Shewanella
oneidensis) 		no annotation 4 ALA B  22
THR B  21
ALA B  20
ARG B  16
 None
 0.86A 2ql8A-5vrfB:
3.7
2ql8B-5vrfB:
3.8		 2ql8A-5vrfB:
undetectable
2ql8B-5vrfB:
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.
5zhz PROBABLE
ENDONUCLEASE 4

(Mycobacterium
tuberculosis) 		no annotation 4 THR A  81
ALA A  84
PRO A  58
ARG A  40
 None
 0.99A 2ql8A-5zhzA:
undetectable
2ql8B-5zhzA:
undetectable		 2ql8A-5zhzA:
undetectable
2ql8B-5zhzA:
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.
6az1 RIBOSOMAL PROTEIN S5

(Leishmania
donovani) 		no annotation 4 ALA F 225
THR F 226
ALA F 229
PRO F 196
 None
 0.76A 2ql8A-6az1F:
undetectable
2ql8B-6az1F:
undetectable		 2ql8A-6az1F:
18.22
2ql8B-6az1F:
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.
6brs PUTATIVE ZINC
PROTEASE

(Pectobacterium
atrosepticum) 		no annotation 4 ALA A 136
THR A 137
ALA A 140
PRO A 128
 None
 0.72A 2ql8A-6brsA:
4.2
2ql8B-6brsA:
4.2		 2ql8A-6brsA:
undetectable
2ql8B-6brsA:
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.
6d95 -

(-) 		no annotation 4 THR A 738
ALA A 736
ARG A 731
TYR A 744
 None
C  B   4 ( 4.7A)
A  B   3 ( 3.8A)
None
 0.87A 2ql8A-6d95A:
1.6
2ql8B-6d95A:
undetectable		 2ql8A-6d95A:
undetectable
2ql8B-6d95A:
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2
DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT RPAC1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		4 THR C  61
ALA C  64
ARG C  68
TYR B1005
 None
 0.99A 2ql8A-6f42C:
1.8
2ql8B-6f42C:
undetectable		 2ql8A-6f42C:
undetectable
2ql8B-6f42C:
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 4 ALA A1571
THR A1570
ARG A1584
TYR A1563
 None
 0.94A 2ql8A-6fayA:
undetectable
2ql8B-6fayA:
undetectable		 2ql8A-6fayA:
undetectable
2ql8B-6fayA:
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.
6fml RUVB-LIKE HELICASE

(Chaetomium
thermophilum) 		no annotation 4 THR D 390
ALA D 387
ARG D 367
PRO D 363
 None
 0.86A 2ql8A-6fmlD:
undetectable
2ql8B-6fmlD:
2.7		 2ql8A-6fmlD:
undetectable
2ql8B-6fmlD:
undetectable