SIMILAR PATTERNS OF AMINO ACIDS FOR 2QE6_B_SAMB400

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.
1gy8 UDP-GALACTOSE
4-EPIMERASE

(Trypanosoma
brucei) 		PF01370
(Epimerase) 		5 GLY A   8
ASP A  75
VAL A  76
ARG A  77
VAL A  96
 None
NAD  A1382 (-2.9A)
NAD  A1382 (-3.7A)
NAD  A1382 ( 4.5A)
None
 0.85A 2qe6B-1gy8A:
undetectable		 2qe6B-1gy8A:
22.58
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ILE A 737
TYR A 170
GLY A 397
VAL A 756
GLY A 402
 None
 1.02A 2qe6B-1h0hA:
3.3		 2qe6B-1h0hA:
14.11
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.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A  48
ALA A 138
GLY A  78
VAL A  53
GLY A  52
 None
 0.97A 2qe6B-1h2bA:
4.1		 2qe6B-1h2bA:
26.18
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.
1htq GLUTAMINE SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ILE A 134
TYR A 133
ASP A 193
GLY A 216
TYR A 188
 None
 1.09A 2qe6B-1htqA:
undetectable		 2qe6B-1htqA:
21.50
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.
1htq GLUTAMINE SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ILE A 134
TYR A 133
GLY A 214
GLY A 216
TYR A 188
 None
 0.98A 2qe6B-1htqA:
undetectable		 2qe6B-1htqA:
21.50
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.
1ir6 EXONUCLEASE RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ILE A 272
ALA A 269
GLY A 217
ASP A 212
GLY A  85
 None
 0.86A 2qe6B-1ir6A:
3.0		 2qe6B-1ir6A:
24.14
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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A  38
ALA A 127
GLY A  66
VAL A  43
GLY A  42
 None
 0.96A 2qe6B-1lluA:
5.0		 2qe6B-1lluA:
25.71
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.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
ASP A  94
VAL A 110
GLY A 111
 None
 0.33A 2qe6B-1nkvA:
10.2		 2qe6B-1nkvA:
21.60
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.
1npm NEUROPSIN

(Mus musculus) 		PF00089
(Trypsin) 		5 ILE A 103
ALA A  55
GLY A 196
VAL A  47
GLY A 211
 None
 1.02A 2qe6B-1npmA:
undetectable		 2qe6B-1npmA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 136
GLY A 134
VAL A 141
VAL A  71
GLY A  72
 None
 0.97A 2qe6B-1q1nA:
4.0		 2qe6B-1q1nA:
20.27
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.
1ri3 MRNA CAPPING ENZYME

(Encephalitozoon
cuniculi) 		PF03291
(Pox_MCEL) 		5 GLY A  72
GLY A  74
ILE A  95
ASP A 122
TYR A 145
 SAH  A 299 (-3.3A)
SAH  A 299 (-3.5A)
SAH  A 299 (-3.8A)
SAH  A 299 (-3.2A)
SAH  A 299 (-4.2A)
 0.47A 2qe6B-1ri3A:
13.8		 2qe6B-1ri3A:
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.
1vbf 231AA LONG
HYPOTHETICAL
PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01135
(PCMT) 		5 ILE A 196
GLY A  78
ILE A 100
VAL A  98
VAL A 139
 None
 1.03A 2qe6B-1vbfA:
5.7		 2qe6B-1vbfA:
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.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		5 ILE A 523
ALA A 522
GLY A 518
ILE A 289
TYR A 661
 None
 0.84A 2qe6B-1w27A:
undetectable		 2qe6B-1w27A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
brevis) 		PF13561
(adh_short_C2) 		5 ILE A  22
ALA A  21
GLY A  17
ILE A 222
GLY A  13
 None
None
NAI  A1270 (-3.9A)
None
NAI  A1270 (-2.9A)
 0.78A 2qe6B-1zjyA:
6.5		 2qe6B-1zjyA:
23.84
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.
2bd0 SEPIAPTERIN
REDUCTASE

(Chlorobaculum
tepidum) 		PF00106
(adh_short) 		5 ILE A  18
ALA A  17
GLY A  13
ILE A 213
GLY A   9
 None
None
NAP  A 800 (-3.5A)
None
NAP  A 800 (-3.2A)
 0.99A 2qe6B-2bd0A:
6.5		 2qe6B-2bd0A:
23.59
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 ALA A 331
GLY A 332
ARG A 163
VAL A 277
GLY A 276
 None
 1.02A 2qe6B-2cn3A:
undetectable		 2qe6B-2cn3A:
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.
2nm0 PROBABLE
3-OXACYL-(ACYL-CARRI
ER-PROTEIN)
REDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		5 ILE A  18
ALA A  17
GLY A  13
ILE A 204
GLY A   9
 None
 0.93A 2qe6B-2nm0A:
undetectable		 2qe6B-2nm0A:
26.26
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.
2p8j S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF08241
(Methyltransf_11) 		5 GLY A  30
GLY A  32
ILE A  53
ASP A  78
ARG A  80
 GOL  A 213 ( 3.7A)
None
GOL  A 213 (-4.0A)
None
None
 0.81A 2qe6B-2p8jA:
14.4		 2qe6B-2p8jA:
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.
2p8j S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF08241
(Methyltransf_11) 		5 GLY A  30
ILE A  53
ASP A  78
ARG A  80
GLY A  96
 GOL  A 213 ( 3.7A)
GOL  A 213 (-4.0A)
None
None
None
 0.57A 2qe6B-2p8jA:
14.4		 2qe6B-2p8jA:
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.
2pxx UNCHARACTERIZED
PROTEIN MGC2408

(Homo sapiens) 		PF08241
(Methyltransf_11) 		5 GLY A  66
GLY A  68
ASP A 113
VAL A 114
GLY A 131
 SAH  A 301 (-3.8A)
SAH  A 301 ( 3.2A)
SAH  A 301 (-3.1A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.1A)
 0.37A 2qe6B-2pxxA:
11.0		 2qe6B-2pxxA:
25.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		12 ILE A  22
ALA A  23
TYR A  26
GLY A  84
GLY A  86
ILE A 111
ASP A 135
VAL A 136
ARG A 137
VAL A 163
GLY A 164
TYR A 168
 SAM  A 400 ( 3.7A)
SAM  A 400 (-3.1A)
SAM  A 400 ( 3.8A)
SAM  A 400 (-3.4A)
SAM  A 400 ( 3.2A)
SAM  A 400 (-3.7A)
SAM  A 400 (-3.4A)
SAM  A 400 (-3.8A)
SAM  A 400 (-4.6A)
SAM  A 400 (-4.2A)
SAM  A 400 (-3.5A)
SAM  A 400 ( 4.5A)
 0.11A 2qe6B-2qe6A:
49.4		 2qe6B-2qe6A:
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.
2uvd 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 ILE A  20
ALA A  19
GLY A  15
ILE A 218
GLY A  11
 None
 0.83A 2qe6B-2uvdA:
5.7		 2qe6B-2uvdA:
22.68
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.
2z3b ATP-DEPENDENT
PROTEASE HSLV

(Bacillus
subtilis) 		PF00227
(Proteasome) 		5 ALA A 135
TYR A 134
GLY A 132
ILE A 125
ASP A 123
 None
 1.06A 2qe6B-2z3bA:
undetectable		 2qe6B-2z3bA:
23.53
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.
3dla GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 GLY A 234
GLY A 236
ARG A 262
VAL A 267
GLY A 266
 None
 0.98A 2qe6B-3dlaA:
2.3		 2qe6B-3dlaA:
19.03
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.
3emk GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		5 ILE A  22
ALA A  21
GLY A  17
ILE A 216
GLY A  13
 None
 0.92A 2qe6B-3emkA:
6.1		 2qe6B-3emkA:
25.34
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.
3ftp 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Burkholderia
pseudomallei) 		PF13561
(adh_short_C2) 		5 ILE A  23
ALA A  22
GLY A  18
ILE A 220
GLY A  14
 None
 0.88A 2qe6B-3ftpA:
5.9		 2qe6B-3ftpA:
25.39
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		5 GLY A   9
ILE A  30
ASP A  51
VAL A  52
GLY A  76
 None
 0.87A 2qe6B-3g7uA:
6.6		 2qe6B-3g7uA:
21.65
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.
3gaf 7-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 ILE A  27
ALA A  26
GLY A  22
ILE A 224
GLY A  18
 None
 0.84A 2qe6B-3gafA:
6.3		 2qe6B-3gafA:
23.87
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.
3gce FERREDOXIN COMPONENT
OF CARBAZOLE
1,9A-DIOXYGENASE

(Nocardioides
aromaticivorans) 		PF00355
(Rieske) 		5 ASP A  80
VAL A  81
ARG A  82
VAL A  24
GLY A  23
 None
 0.81A 2qe6B-3gceA:
undetectable		 2qe6B-3gceA:
19.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3go4 PROTEIN OF UNKNOWN
FUNCTION DUF574

(Streptomyces
avermitilis) 		PF04672
(Methyltransf_19) 		5 ALA A  24
TYR A  27
GLY A  85
GLY A  87
ASP A 138
 SAH  A 277 (-3.1A)
SAH  A 277 (-4.3A)
SAH  A 277 (-3.4A)
SAH  A 277 (-3.1A)
SAH  A 277 (-3.5A)
 0.48A 2qe6B-3go4A:
36.1		 2qe6B-3go4A:
40.28
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.
3grp 3-OXOACYL-(ACYL
CARRIERPROTEIN)
REDUCTASE

(Bartonella
henselae) 		PF13561
(adh_short_C2) 		5 ILE A  22
ALA A  21
GLY A  17
ILE A 216
GLY A  13
 None
 0.83A 2qe6B-3grpA:
2.7		 2qe6B-3grpA:
24.84
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.
3gym PROSTASIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ILE A 103
ALA A  55
GLY A 196
VAL A  47
GLY A 211
 None
 0.99A 2qe6B-3gymA:
undetectable		 2qe6B-3gymA:
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.
3icc PUTATIVE
3-OXOACYL-(ACYL
CARRIER PROTEIN)
REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 ILE A  20
ALA A  19
GLY A  15
ILE A 224
GLY A  11
 ILE  A  20 ( 0.7A)
ALA  A  19 ( 0.0A)
GLY  A  15 ( 0.0A)
ILE  A 224 ( 0.7A)
GLY  A  11 ( 0.0A)
 0.91A 2qe6B-3iccA:
5.4		 2qe6B-3iccA:
24.42
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.
3kvo HYDROXYSTEROID
DEHYDROGENASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00106
(adh_short) 		5 ILE A  26
ALA A  25
GLY A  21
ILE A 224
GLY A  17
 None
None
NAP  A 501 (-3.5A)
None
NAP  A 501 (-3.3A)
 0.87A 2qe6B-3kvoA:
6.2		 2qe6B-3kvoA:
23.71
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		5 GLY A  74
GLY A  76
ASP A 123
VAL A 124
VAL A 140
 SAH  A 300 (-3.5A)
SAH  A 300 (-3.5A)
SAH  A 300 (-3.8A)
SAH  A 300 (-4.1A)
SAH  A 300 (-4.2A)
 1.05A 2qe6B-3lccA:
11.9		 2qe6B-3lccA:
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.
3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Brucella suis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A  36
ALA A 125
GLY A  64
VAL A  41
GLY A  40
 None
 0.93A 2qe6B-3meqA:
4.9		 2qe6B-3meqA:
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.
3ne8 N-ACETYLMURAMOYL-L-A
LANINE AMIDASE

(Bartonella
henselae) 		PF01520
(Amidase_3) 		5 GLY A 189
GLY A 193
ASP A 297
ARG A 237
GLY A 187
 None
 0.98A 2qe6B-3ne8A:
undetectable		 2qe6B-3ne8A:
24.57
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.
3o7w LEUCINE CARBOXYL
METHYLTRANSFERASE 1

(Homo sapiens) 		PF04072
(LCM) 		5 GLY A  98
GLY A 100
ASP A 171
ARG A 173
TYR A 203
 SAM  A 801 (-3.5A)
SAM  A 801 ( 3.7A)
SAM  A 801 (-3.8A)
None
SAM  A 801 (-4.6A)
 0.35A 2qe6B-3o7wA:
16.0		 2qe6B-3o7wA:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pgx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ALA A  20
ILE A  43
ASP A  81
VAL A  82
VAL A 106
 NAD  A 277 ( 3.9A)
NAD  A 277 (-3.7A)
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
None
 1.08A 2qe6B-3pgxA:
5.7		 2qe6B-3pgxA:
24.42
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.
3pgx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ALA A  56
ILE A  43
ASP A  81
VAL A  82
ARG A  83
 NAD  A 277 (-3.3A)
NAD  A 277 (-3.7A)
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
NAD  A 277 ( 4.7A)
 0.82A 2qe6B-3pgxA:
5.7		 2qe6B-3pgxA:
24.42
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.
3pxx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		6 ALA A  15
GLY A  14
ILE A  38
ASP A  75
VAL A  76
VAL A 100
 NAD  A 284 ( 4.2A)
None
NAD  A 284 (-3.6A)
NAD  A 284 (-3.7A)
NAD  A 284 (-3.5A)
None
 1.39A 2qe6B-3pxxA:
5.7		 2qe6B-3pxxA:
23.05
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.
3pxx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ALA A  50
ILE A  38
ASP A  75
VAL A  76
ARG A  77
 NAD  A 284 (-3.4A)
NAD  A 284 (-3.6A)
NAD  A 284 (-3.7A)
NAD  A 284 (-3.5A)
None
 0.84A 2qe6B-3pxxA:
5.7		 2qe6B-3pxxA:
23.05
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.
3pxx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  14
ILE A  38
ASP A  75
VAL A  76
ARG A  77
 None
NAD  A 284 (-3.6A)
NAD  A 284 (-3.7A)
NAD  A 284 (-3.5A)
None
 0.79A 2qe6B-3pxxA:
5.7		 2qe6B-3pxxA:
23.05
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.
3q6t 43.2 KDA SALIVARY
PROTEIN

(Lutzomyia
longipalpis) 		PF03022
(MRJP) 		5 ILE A 222
ALA A 242
GLY A 243
ARG A 180
GLY A 155
 None
 1.07A 2qe6B-3q6tA:
undetectable		 2qe6B-3q6tA:
22.60
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.
3rkr SHORT CHAIN
OXIDOREDUCTASE

(uncultured
bacterium Bio5) 		PF00106
(adh_short) 		5 ILE A  22
ALA A  21
GLY A  17
ILE A 212
GLY A  13
 None
None
SO4  A 242 (-3.6A)
None
NAP  A 240 (-3.4A)
 0.86A 2qe6B-3rkrA:
6.2		 2qe6B-3rkrA:
22.60
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.
3rmj 2-ISOPROPYLMALATE
SYNTHASE

(Neisseria
meningitidis) 		PF00682
(HMGL-like) 		5 GLY A 164
ASP A 137
VAL A 138
ARG A  97
VAL A 125
 None
 1.09A 2qe6B-3rmjA:
undetectable		 2qe6B-3rmjA:
23.24
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 ILE A 116
ALA A 115
GLY A  50
GLY A  53
GLY A  76
 None
None
ADP  A 494 (-3.3A)
None
None
 1.02A 2qe6B-3rreA:
3.9		 2qe6B-3rreA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3szb ALDEHYDE
DEHYDROGENASE

(Homo sapiens) 		PF00171
(Aldedh) 		5 ALA A 362
GLY A 402
GLY A 383
ILE A 394
GLY A 408
 None
 0.99A 2qe6B-3szbA:
3.6		 2qe6B-3szbA:
20.63
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.
3tju GRANZYME H

(Homo sapiens) 		PF00089
(Trypsin) 		5 ILE A 104
ALA A  57
GLY A 198
VAL A  49
GLY A 209
 None
 1.00A 2qe6B-3tjuA:
undetectable		 2qe6B-3tjuA:
22.45
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.
3u5t 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ILE A  20
ALA A  19
GLY A  15
ILE A 217
GLY A  11
 None
 0.86A 2qe6B-3u5tA:
6.1		 2qe6B-3u5tA:
26.84
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.
3uve CARVEOL
DEHYDROGENASE
((+)-TRANS-CARVEOL
DEHYDROGENASE)

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ALA A  16
ILE A  39
ASP A  80
VAL A  81
VAL A 105
 NAD  A 300 ( 3.8A)
NAD  A 300 (-3.8A)
NAD  A 300 (-3.4A)
NAD  A 300 (-3.6A)
None
 1.03A 2qe6B-3uveA:
5.6		 2qe6B-3uveA:
25.23
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.
3v2g 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ILE A  47
ALA A  46
GLY A  42
ILE A 243
GLY A  38
 None
None
None
None
SO4  A 273 ( 4.9A)
 0.96A 2qe6B-3v2gA:
2.4		 2qe6B-3v2gA:
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.
3wtb PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 ILE A  19
ALA A  18
GLY A  14
ILE A 215
GLY A  10
 None
 0.83A 2qe6B-3wtbA:
5.0		 2qe6B-3wtbA:
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.
4a11 DNA EXCISION REPAIR
PROTEIN ERCC-8

(Homo sapiens) 		PF00400
(WD40) 		5 ILE B 201
ASP B 215
VAL B 216
ARG B 217
VAL B 159
 None
 0.83A 2qe6B-4a11B:
undetectable		 2qe6B-4a11B:
21.03
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.
4a35 MITOCHONDRIAL
ENOLASE SUPERFAMILY
MEMBER 1

(Homo sapiens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 121
GLY A  57
ASP A  17
VAL A  18
ARG A  19
 None
None
None
None
EDO  A1447 (-4.0A)
 0.96A 2qe6B-4a35A:
undetectable		 2qe6B-4a35A:
21.92
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.
4bko PUTATIVE REDUCTASE
BURPS305_1051

(Burkholderia
pseudomallei) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 ALA A  57
ASP A 133
VAL A 132
VAL A  72
GLY A  71
 None
 1.02A 2qe6B-4bkoA:
undetectable		 2qe6B-4bkoA:
23.76
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.
4bo6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ILE A  21
ALA A  20
GLY A  16
ILE A 218
GLY A  12
 None
 0.88A 2qe6B-4bo6A:
6.6		 2qe6B-4bo6A:
26.60
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.
4dgj ENTEROPEPTIDASE
CATALYTIC LIGHT
CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ILE A  93
ALA A  39
GLY A 188
VAL A  31
GLY A 203
 None
 1.06A 2qe6B-4dgjA:
undetectable		 2qe6B-4dgjA:
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.
4dng UNCHARACTERIZED
ALDEHYDE
DEHYDROGENASE ALDY

(Bacillus
subtilis) 		PF00171
(Aldedh) 		5 TYR A  30
GLY A 327
ILE A 330
VAL A 359
GLY A 360
 None
 0.97A 2qe6B-4dngA:
3.3		 2qe6B-4dngA:
22.72
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.
4fn4 SHORT CHAIN
DEHYDROGENASE

(Sulfolobus
acidocaldarius) 		PF13561
(adh_short_C2) 		5 ILE A  24
ALA A  23
GLY A  19
ILE A 226
GLY A  15
 None
None
NAD  A 501 (-3.3A)
None
NAD  A 501 (-3.2A)
 0.97A 2qe6B-4fn4A:
6.4		 2qe6B-4fn4A:
25.67
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.
4gvx 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		5 ILE A  23
ALA A  22
GLY A  18
ILE A 224
GLY A  14
 None
None
NAP  A 301 (-3.5A)
None
NAP  A 301 (-3.2A)
 0.93A 2qe6B-4gvxA:
5.9		 2qe6B-4gvxA:
24.84
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.
4hp8 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 ILE A 218
GLY A  20
ILE A 137
VAL A  84
VAL A  27
 None
NAP  A 301 (-3.3A)
NAP  A 301 (-4.5A)
None
None
 1.01A 2qe6B-4hp8A:
4.9		 2qe6B-4hp8A:
24.83
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.
4hp8 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 ILE A 218
GLY A  22
GLY A  20
ILE A 137
VAL A  27
 None
None
NAP  A 301 (-3.3A)
NAP  A 301 (-4.5A)
None
 1.07A 2qe6B-4hp8A:
4.9		 2qe6B-4hp8A:
24.83
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.
4hvt POST-PROLINE
CLEAVING ENZYME

(Rickettsia
typhi) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ILE A 516
ALA A 538
GLY A 487
VAL A 490
GLY A 568
 None
 1.03A 2qe6B-4hvtA:
undetectable		 2qe6B-4hvtA:
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.
4i59 CYCLOHEXYLAMINE
OXIDASE

(Microbacterium
oxydans) 		PF01593
(Amino_oxidase) 		5 GLY A  43
GLY A  40
VAL A 288
VAL A 464
GLY A 463
 None
FAD  A 501 (-3.5A)
None
None
FAD  A 501 ( 4.5A)
 0.74A 2qe6B-4i59A:
undetectable		 2qe6B-4i59A:
21.05
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.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 ILE A  23
ALA A  22
GLY A  18
ILE A 226
GLY A  14
 None
None
NAI  A 301 (-3.5A)
None
NAI  A 301 (-3.3A)
 0.88A 2qe6B-4ituA:
6.5		 2qe6B-4ituA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m3c LECTIN BETA CHAIN

(Butea
monosperma) 		PF00139
(Lectin_legB) 		5 ALA B 105
GLY B 109
GLY B 104
ASP B 146
GLY B  49
 None
 0.96A 2qe6B-4m3cB:
undetectable		 2qe6B-4m3cB:
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.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		5 GLY A 166
GLY A 168
ILE A 190
ASP A 217
ARG A 219
 SAH  A 401 (-3.4A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-4.5A)
 0.37A 2qe6B-4m73A:
15.1		 2qe6B-4m73A:
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.
4m8s PUTATIVE
3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Neisseria
meningitidis) 		PF13561
(adh_short_C2) 		5 ILE A  24
ALA A  23
GLY A  19
ILE A 219
GLY A  15
 None
 0.84A 2qe6B-4m8sA:
6.0		 2qe6B-4m8sA:
24.83
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.
4mlc EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfitobacterium
hafniense) 		PF13458
(Peripla_BP_6) 		5 ILE A  62
ALA A  63
GLY A  77
ILE A  83
GLY A  11
 None
 0.96A 2qe6B-4mlcA:
undetectable		 2qe6B-4mlcA:
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.
4mow GLUCOSE
1-DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 ILE A  22
ALA A  21
GLY A  17
ILE A 221
GLY A  13
 None
 0.86A 2qe6B-4mowA:
6.0		 2qe6B-4mowA:
25.17
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.
4n1a CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		5 ILE A1260
ALA A1254
TYR A1256
GLY A1252
VAL A1272
 None
 0.86A 2qe6B-4n1aA:
undetectable		 2qe6B-4n1aA:
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.
4n54 INOSITOL
DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ALA A  35
GLY A   9
ASP A  61
VAL A  75
GLY A  12
 None
None
None
NAI  A 401 (-4.6A)
NAI  A 401 (-3.5A)
 1.04A 2qe6B-4n54A:
3.4		 2qe6B-4n54A:
21.92
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.
4nbt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Acholeplasma
laidlawii) 		PF13561
(adh_short_C2) 		5 ILE A  22
ALA A  21
GLY A  17
ILE A 212
GLY A  13
 None
None
NAD  A 301 (-3.4A)
None
NAD  A 301 (-3.0A)
 0.89A 2qe6B-4nbtA:
5.9		 2qe6B-4nbtA:
24.68
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.
4qrk HYPOTHETICAL PROTEIN

(Clostridium
sporogenes) 		PF09922
(DUF2154)
PF17115
(Toast_rack_N) 		5 GLY A 180
GLY A 156
ILE A 235
VAL A 159
GLY A 160
 None
 0.88A 2qe6B-4qrkA:
undetectable		 2qe6B-4qrkA:
22.60
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.
4rf3 NADPH DEPENDENT
R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
kefiri) 		PF13561
(adh_short_C2) 		5 ILE A  23
ALA A  22
GLY A  18
ILE A 223
GLY A  14
 None
 0.84A 2qe6B-4rf3A:
6.3		 2qe6B-4rf3A:
24.12
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.
4rmx PHI92_GP150

(Enterobacteria
phage phi92) 		no annotation 5 ILE A 384
TYR A 360
GLY A 424
GLY A 422
VAL A 453
 None
 0.96A 2qe6B-4rmxA:
undetectable		 2qe6B-4rmxA:
18.20
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.
4tvi AMINOTRANSFERASE,
CLASS IV

(Brucella
abortus) 		PF01063
(Aminotran_4) 		5 GLY A 269
ILE A 233
ASP A  69
ARG A 237
VAL A 275
 LLP  A 172 ( 3.5A)
LLP  A 172 ( 4.1A)
None
None
None
 1.06A 2qe6B-4tviA:
undetectable		 2qe6B-4tviA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		PF00145
(DNA_methylase) 		5 GLY A 642
ASP A 686
VAL A 687
ARG A 688
GLY A 707
 SAH  A1004 (-3.3A)
SAH  A1004 (-3.0A)
SAH  A1004 (-3.7A)
SAH  A1004 (-4.4A)
None
 0.69A 2qe6B-4u7tA:
5.5		 2qe6B-4u7tA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 ALA A  18
GLY A  17
ILE A  41
ASP A  61
VAL A  62
 NAD  A 301 (-3.4A)
NAD  A 301 ( 4.8A)
NAD  A 301 (-3.8A)
NAD  A 301 (-3.9A)
NAD  A 301 (-3.5A)
 1.07A 2qe6B-4wecA:
5.8		 2qe6B-4wecA:
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.
5bp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF13847
(Methyltransf_31) 		5 GLY A  45
GLY A  47
ASP A  95
VAL A 111
GLY A 112
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.5A)
SAH  A 301 (-3.3A)
SAH  A 301 (-4.1A)
SAH  A 301 ( 4.7A)
 0.45A 2qe6B-5bp7A:
10.0		 2qe6B-5bp7A:
23.66
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.
5c2c FORM II RUBISCO

(Gallionella) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ALA A 392
ILE A 164
ASP A 193
VAL A 322
GLY A 323
 None
KCX  A 191 ( 4.1A)
MG  A 501 (-2.9A)
None
None
 0.92A 2qe6B-5c2cA:
undetectable		 2qe6B-5c2cA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cej 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Yersinia pestis) 		PF13561
(adh_short_C2) 		5 ILE A  21
ALA A  20
GLY A  16
ILE A 215
GLY A  12
 None
 0.81A 2qe6B-5cejA:
5.9		 2qe6B-5cejA:
26.28
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.
5ck7 ADP-DEPENDENT
GLUCOKINASE

(Mus musculus) 		PF04587
(ADP_PFK_GK) 		5 ILE A 163
ALA A 160
GLY A 158
VAL A 476
GLY A 477
 None
 1.09A 2qe6B-5ck7A:
4.1		 2qe6B-5ck7A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9j MRNA CAP GUANINE-N7
METHYLTRANSFERASE,MR
NA CAP GUANINE-N7
METHYLTRANSFERASE

(Homo sapiens) 		PF03291
(Pox_MCEL) 		5 GLY A 205
GLY A 207
ILE A 228
ASP A 261
TYR A 289
 SAH  A 501 (-3.4A)
SAH  A 501 (-3.4A)
SAH  A 501 (-3.8A)
SAH  A 501 (-3.5A)
SAH  A 501 (-4.0A)
 0.62A 2qe6B-5e9jA:
15.2		 2qe6B-5e9jA:
16.56
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.
5e9w MRNA CAP GUANINE-N7
METHYLTRANSFERASE

(Homo sapiens) 		PF03291
(Pox_MCEL) 		5 GLY A 205
GLY A 207
ILE A 228
ASP A 261
TYR A 289
 SAH  A 500 (-3.8A)
SAH  A 500 (-3.5A)
SAH  A 500 (-3.7A)
SAH  A 500 (-3.6A)
SAH  A 500 (-4.0A)
 0.64A 2qe6B-5e9wA:
15.4		 2qe6B-5e9wA:
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.
5ej2 CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ALA A  24
ILE A  47
ASP A  84
VAL A  85
VAL A 109
 NAD  A 300 ( 3.8A)
NAD  A 300 (-3.8A)
NAD  A 300 (-3.3A)
NAD  A 300 (-3.6A)
None
 1.06A 2qe6B-5ej2A:
undetectable		 2qe6B-5ej2A:
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.
5end 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Vibrio cholerae) 		PF13561
(adh_short_C2) 		5 ILE A  25
ALA A  24
GLY A  20
ILE A 219
GLY A  16
 None
 0.78A 2qe6B-5endA:
6.2		 2qe6B-5endA:
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
ASP A  94
VAL A 110
GLY A 111
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.2A)
SAH  A 301 (-4.9A)
 0.52A 2qe6B-5epeA:
8.8		 2qe6B-5epeA:
23.53
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.
5je3 METHYL TRANSFERASE

(Burkholderia
glumae) 		PF13847
(Methyltransf_31) 		5 GLY A  49
ILE A  70
ASP A  95
VAL A  96
TYR A 116
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.9A)
SAH  A 301 (-4.0A)
 0.53A 2qe6B-5je3A:
12.9		 2qe6B-5je3A:
24.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1r BURKHOLDERIA
PSEUDOMALLEI
SPHINGOSINE-1-PHOSPH
ATE LYASE BPSS2021

(Burkholderia
pseudomallei) 		PF00282
(Pyridoxal_deC) 		6 ILE A 222
ALA A 221
GLY A 217
ASP A 186
VAL A 185
VAL A 232
 None
 1.20A 2qe6B-5k1rA:
undetectable		 2qe6B-5k1rA:
21.44
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.
5kpg PAVINE
N-METHYLTRANSFERASE

(Thalictrum
flavum) 		PF02353
(CMAS) 		5 GLY A 135
GLY A 137
ASP A 185
VAL A 186
VAL A 201
 SAH  A 401 (-3.7A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.8A)
SAH  A 401 (-4.3A)
 0.48A 2qe6B-5kpgA:
10.6		 2qe6B-5kpgA:
22.60
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.
5unl 3-KETOACYL-ACP
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		5 ILE A  28
ALA A  27
GLY A  23
ILE A 236
GLY A  19
 None
 0.90A 2qe6B-5unlA:
6.5		 2qe6B-5unlA:
25.40
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLY A  61
GLY A  63
ASP A 107
VAL A 108
TYR A 131
 SAH  A 701 (-3.4A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.2A)
SAH  A 701 (-3.6A)
None
 0.58A 2qe6B-5wp4A:
13.9		 2qe6B-5wp4A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 5 GLY A  61
GLY A  63
ASP A 107
VAL A 108
TYR A 131
 SAH  A 502 (-3.4A)
SAH  A 502 (-3.5A)
SAH  A 502 (-3.2A)
SAH  A 502 (-3.6A)
SAH  A 502 ( 4.8A)
 0.55A 2qe6B-5wp5A:
13.3		 2qe6B-5wp5A:
20.72
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.
5wva SHORT-CHAIN
DEHYDROGENASE

(Serratia
marcescens) 		no annotation 5 ILE A  25
ALA A  24
GLY A  20
ILE A 221
GLY A  16
 None
 0.86A 2qe6B-5wvaA:
6.4		 2qe6B-5wvaA:
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.
6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Escherichia
coli) 		no annotation 5 GLY A 175
GLY A 177
ASP A 221
VAL A 235
GLY A 236
 None
None
None
None
LOP  A 402 ( 3.4A)
 0.64A 2qe6B-6bqcA:
11.8		 2qe6B-6bqcA:
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.
6brr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		no annotation 5 GLY A 642
ASP A 686
VAL A 687
ARG A 688
GLY A 707
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.0A)
SAH  A1001 (-3.7A)
None
SAH  A1001 (-4.4A)
 0.78A 2qe6B-6brrA:
5.5		 2qe6B-6brrA:
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.
6dux 6-PHOSPHO-ALPHA-GLUC
OSIDASE

(Klebsiella
pneumoniae) 		no annotation 5 ALA A 117
GLY A 112
GLY A 115
ILE A 409
GLY A 107
 None
 1.04A 2qe6B-6duxA:
2.6		 2qe6B-6duxA:
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.
6ehe OMPT PROTEIN

(Vibrio cholerae) 		no annotation 5 ALA A  97
GLY A 107
ILE A 233
VAL A 254
GLY A 104
 None
 0.94A 2qe6B-6eheA:
undetectable		 2qe6B-6eheA:
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.
1d6m DNA TOPOISOMERASE
III

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		3 ASN A 152
ARG A 131
ASP A 379
 None
 0.96A 2qe6B-1d6mA:
undetectable		 2qe6B-1d6mA:
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.
1d6m DNA TOPOISOMERASE
III

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		3 ASN A 175
ARG A 178
ASP A  55
 None
 0.97A 2qe6B-1d6mA:
undetectable		 2qe6B-1d6mA:
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.
1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
[FE]-HYDROGENASE
(SMALL SUBUNIT)

(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		PF02906
(Fe_hyd_lg_C)
PF13187
(Fer4_9)
PF02256
(Fe_hyd_SSU) 		3 ASN D 110
ARG D 112
ASP A  39
 None
 0.96A 2qe6B-1e08D:
undetectable		 2qe6B-1e08D:
15.19
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.
1fcu HYALURONOGLUCOSAMINI
DASE

(Apis mellifera) 		PF01630
(Glyco_hydro_56) 		3 ASN A 321
ARG A 317
ASP A  44
 None
 0.91A 2qe6B-1fcuA:
undetectable		 2qe6B-1fcuA:
21.70
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.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		3 ASN A 502
ARG A 447
ASP A 467
 None
 0.95A 2qe6B-1fokA:
undetectable		 2qe6B-1fokA:
20.14
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.
1kcx DIHYDROPYRIMIDINASE
RELATED PROTEIN-1

(Mus musculus) 		PF01979
(Amidohydro_1) 		3 ASN A  61
ARG A  63
ASP A 456
 None
 0.88A 2qe6B-1kcxA:
undetectable		 2qe6B-1kcxA:
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.
1kjv MATURE ALPHA CHAIN
OF MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS I
ANTIGEN (HEAVY
CHAIN)

(Rattus
norvegicus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 ASN A  42
ARG A  35
ASP A   9
 None
 0.95A 2qe6B-1kjvA:
undetectable		 2qe6B-1kjvA:
22.95
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.
1ovw ENDOGLUCANASE I

(Fusarium
oxysporum) 		PF00840
(Glyco_hydro_7) 		3 ASN A 242
ARG A 245
ASP A 352
 None
 0.81A 2qe6B-1ovwA:
undetectable		 2qe6B-1ovwA:
19.46
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.
1p50 ARGININE KINASE

(Limulus
polyphemus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		3 ASN A 274
ARG A 330
ASP A 324
 NO3  A 401 (-3.1A)
None
ADP  A 400 (-3.7A)
 0.95A 2qe6B-1p50A:
undetectable		 2qe6B-1p50A:
19.62
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.
1u6r CREATINE KINASE, M
CHAIN

(Oryctolagus
cuniculus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		3 ASN A 285
ARG A 340
ASP A 334
 None
None
ADP  A1801 (-3.3A)
 0.95A 2qe6B-1u6rA:
undetectable		 2qe6B-1u6rA:
21.41
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.
1uw4 REGULATOR OF
NONSENSE TRANSCRIPTS
2

(Homo sapiens) 		PF02854
(MIF4G) 		3 ASN B 865
ARG B 868
ASP B 911
 None
 0.98A 2qe6B-1uw4B:
undetectable		 2qe6B-1uw4B:
22.26
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.
1wvg CDP-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		3 ASN A 197
ARG A 232
ASP A 157
 CXY  A 401 (-2.9A)
CXY  A 401 (-3.5A)
None
 0.92A 2qe6B-1wvgA:
undetectable		 2qe6B-1wvgA:
21.74
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.
1yni SUCCINYLARGININE
DIHYDROLASE

(Escherichia
coli) 		PF04996
(AstB) 		3 ASN A 256
ARG A 257
ASP A 314
 None
 0.89A 2qe6B-1yniA:
undetectable		 2qe6B-1yniA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ywx 30S RIBOSOMAL
PROTEIN S24E

(Methanococcus
maripaludis) 		PF01282
(Ribosomal_S24e) 		3 ASN A  10
ARG A  17
ASP A  73
 None
 0.97A 2qe6B-1ywxA:
undetectable		 2qe6B-1ywxA:
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.
2c20 UDP-GLUCOSE
4-EPIMERASE

(Bacillus
anthracis) 		PF01370
(Epimerase) 		3 ASN A 256
ARG A 289
ASP A 217
 None
 0.89A 2qe6B-2c20A:
4.6		 2qe6B-2c20A:
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.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT
DIOL
DEHYDRATASE-REACTIVA
TING FACTOR SMALL
SUBUNIT

(Klebsiella
oxytoca;
Klebsiella
oxytoca) 		PF08841
(DDR)
PF02288
(Dehydratase_MU) 		3 ASN B  97
ARG B  96
ASP A 183
 None
None
MG  A1005 (-2.7A)
 0.87A 2qe6B-2d0oB:
undetectable		 2qe6B-2d0oB:
21.89
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.
2hvq HYPOTHETICAL 37.6
KDA PROTEIN IN
GP24-HOC INTERGENIC
REGION

(Escherichia
virus T4) 		PF09414
(RNA_ligase) 		3 ASN A 269
ARG A 266
ASP A 110
 None
 0.68A 2qe6B-2hvqA:
undetectable		 2qe6B-2hvqA:
23.24
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.
2ocx NODULATION
FUCOSYLTRANSFERASE
NODZ

(Bradyrhizobium
sp. WM9) 		PF05830
(NodZ) 		3 ASN A  52
ARG A  41
ASP A 129
 None
 0.69A 2qe6B-2ocxA:
2.8		 2qe6B-2ocxA:
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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		3 ASN A 138
ARG A 136
ASP A 117
 None
 0.98A 2qe6B-2q27A:
3.8		 2qe6B-2q27A:
18.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		3 ASN A  60
ARG A  61
ASP A 110
 SAM  A 400 ( 3.5A)
SAM  A 400 (-3.7A)
SAM  A 400 (-2.7A)
 0.10A 2qe6B-2qe6A:
49.4		 2qe6B-2qe6A:
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.
2qj8 MLR6093 PROTEIN

(Mesorhizobium
japonicum) 		PF04952
(AstE_AspA) 		3 ASN A  97
ARG A  96
ASP A 138
 None
 0.97A 2qe6B-2qj8A:
undetectable		 2qe6B-2qj8A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v95 CORTICOSTEROID-BINDI
NG GLOBULIN

(Rattus
norvegicus) 		PF00079
(Serpin) 		3 ASN A   7
ARG A  10
ASP A 256
 None
None
HCY  A1375 (-3.6A)
 1.00A 2qe6B-2v95A:
undetectable		 2qe6B-2v95A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yn0 TRANSCRIPTION FACTOR
TAU 55 KDA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00300
(His_Phos_1) 		3 ASN A 241
ARG A 198
ASP A 258
 None
 0.98A 2qe6B-2yn0A:
undetectable		 2qe6B-2yn0A:
24.28
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.
2zbl PUTATIVE ISOMERASE

(Salmonella
enterica) 		PF07221
(GlcNAc_2-epim) 		3 ASN A 231
ARG A 240
ASP A 167
 None
 0.96A 2qe6B-2zblA:
undetectable		 2qe6B-2zblA:
22.78
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.
2zq5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF13469
(Sulfotransfer_3) 		3 ASN A 301
ARG A 304
ASP A 316
 None
 0.98A 2qe6B-2zq5A:
undetectable		 2qe6B-2zq5A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aeh HEMOGLOBIN-BINDING
PROTEASE HBP
AUTOTRANSPORTER

(Escherichia
coli) 		PF03797
(Autotransporter) 		3 ASN A1372
ARG A1121
ASP A1197
 None
 0.95A 2qe6B-3aehA:
undetectable		 2qe6B-3aehA:
21.69
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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE

(Bifidobacterium
breve) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		3 ASN A 441
ARG A 442
ASP A 547
 None
 0.99A 2qe6B-3ahiA:
undetectable		 2qe6B-3ahiA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT
C,LINKER,GLUTAMATE--
TRNA LIGASE 2

(Thermotoga
maritima;
synthetic
construct) 		PF00749
(tRNA-synt_1c)
PF02686
(Glu-tRNAGln) 		3 ASN C 152
ARG C 132
ASP C 323
 None
GSU  C1001 (-2.2A)
GSU  C1001 (-3.0A)
 0.93A 2qe6B-3al0C:
undetectable		 2qe6B-3al0C:
19.63
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.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		3 ASN A 549
ARG A 550
ASP A1419
 None
 0.98A 2qe6B-3av6A:
5.8		 2qe6B-3av6A:
12.16
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.
3czq PUTATIVE
POLYPHOSPHATE KINASE
2

(Sinorhizobium
meliloti) 		PF03976
(PPK2) 		3 ASN A 196
ARG A  92
ASP A  22
 None
 0.87A 2qe6B-3czqA:
undetectable		 2qe6B-3czqA:
22.26
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.
3dsm UNCHARACTERIZED
PROTEIN BACUNI_02894

(Bacteroides
uniformis) 		no annotation 3 ASN A 166
ARG A 167
ASP A 141
 None
 0.92A 2qe6B-3dsmA:
undetectable		 2qe6B-3dsmA:
20.18
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.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		3 ASN A 563
ARG A 569
ASP A 463
 None
None
FAD  A2001 ( 4.1A)
 0.83A 2qe6B-3e2sA:
1.9		 2qe6B-3e2sA:
20.48
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.
3eo5 RESUSCITATION-PROMOT
ING FACTOR RPFB

(Mycobacterium
tuberculosis) 		PF06737
(Transglycosylas)
PF07501
(G5) 		3 ASN A 219
ARG A 222
ASP A 329
 None
 0.97A 2qe6B-3eo5A:
undetectable		 2qe6B-3eo5A:
21.11
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.
3fok UNCHARACTERIZED
PROTEIN CGL0159

(Corynebacterium
glutamicum) 		no annotation 3 ASN A 195
ARG A 150
ASP A  50
 None
 0.85A 2qe6B-3fokA:
undetectable		 2qe6B-3fokA:
22.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3go4 PROTEIN OF UNKNOWN
FUNCTION DUF574

(Streptomyces
avermitilis) 		PF04672
(Methyltransf_19) 		3 ASN A  61
ARG A  62
ASP A 111
 SAH  A 277 (-3.5A)
SAH  A 277 (-4.0A)
SAH  A 277 (-2.7A)
 0.60A 2qe6B-3go4A:
36.1		 2qe6B-3go4A:
40.28
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 ASN B  79
ARG B 283
ASP B 302
 None
 0.99A 2qe6B-3hhsB:
undetectable		 2qe6B-3hhsB:
18.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i0z PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Streptococcus
pneumoniae) 		PF01380
(SIS) 		3 ASN A 171
ARG A 117
ASP A 366
 None
 0.96A 2qe6B-3i0zA:
2.2		 2qe6B-3i0zA:
22.41
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.
3jbh MYOSIN 2 HEAVY CHAIN
STRIATED MUSCLE

(Aphonopelma) 		PF00063
(Myosin_head)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		3 ASN A 413
ARG A 412
ASP A 542
 None
 0.98A 2qe6B-3jbhA:
undetectable		 2qe6B-3jbhA:
8.68
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.
3ju5 ARGININE KINASE

(Apostichopus
japonicus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		3 ASN A 277
ARG A 332
ASP A 326
 None
 0.88A 2qe6B-3ju5A:
undetectable		 2qe6B-3ju5A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		3 ASN A  29
ARG A 176
ASP A 102
 None
 0.61A 2qe6B-3k1dA:
undetectable		 2qe6B-3k1dA:
17.93
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.
3l7i TEICHOIC ACID
BIOSYNTHESIS PROTEIN
F

(Staphylococcus
epidermidis) 		PF04464
(Glyphos_transf) 		3 ASN A 517
ARG A 518
ASP A 608
 None
 0.96A 2qe6B-3l7iA:
undetectable		 2qe6B-3l7iA:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3maz SIGNAL-TRANSDUCING
ADAPTOR PROTEIN 1

(Homo sapiens) 		PF00017
(SH2) 		3 ASN A 199
ARG A 216
ASP A 220
 None
 0.93A 2qe6B-3mazA:
undetectable		 2qe6B-3mazA:
19.12
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.
3p2m POSSIBLE HYDROLASE

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		3 ASN A  93
ARG A 248
ASP A  43
 None
 0.79A 2qe6B-3p2mA:
2.1		 2qe6B-3p2mA:
26.36
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.
3pbi INVASION PROTEIN

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		3 ASN A  57
ARG A 169
ASP A 142
 None
 0.94A 2qe6B-3pbiA:
undetectable		 2qe6B-3pbiA:
24.39
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.
3pqs TRANSFERRIN-BINDING
PROTEIN

(Actinobacillus
pleuropneumoniae) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		3 ASN A  58
ARG A 179
ASP A 186
 None
 0.81A 2qe6B-3pqsA:
undetectable		 2qe6B-3pqsA:
19.21
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.
3qt3 PUTATIVE
UNCHARACTERIZED
PROTEIN CPE0426

(Clostridium
perfringens) 		PF06824
(Glyco_hydro_125) 		3 ASN A 334
ARG A 335
ASP A 221
 None
 0.87A 2qe6B-3qt3A:
undetectable		 2qe6B-3qt3A:
20.09
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.
3slt SERINE PROTEASE ESPP

(Escherichia
coli) 		PF03797
(Autotransporter) 		3 ASN A1295
ARG A1044
ASP A1120
 None
 0.91A 2qe6B-3sltA:
undetectable		 2qe6B-3sltA:
20.41
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.
3t5t PUTATIVE
GLYCOSYLTRANSFERASE

(Streptomyces
hygroscopicus) 		PF00982
(Glyco_transf_20) 		3 ASN A 325
ARG A 326
ASP A 158
 None
MG  A 500 (-3.3A)
None
 0.89A 2qe6B-3t5tA:
3.7		 2qe6B-3t5tA:
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.
3tlk FERRIENTEROBACTIN-BI
NDING PERIPLASMIC
PROTEIN

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		3 ASN A  77
ARG A  78
ASP A 268
 EB4  A 328 (-3.5A)
EB4  A 328 ( 3.5A)
None
 0.95A 2qe6B-3tlkA:
undetectable		 2qe6B-3tlkA:
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.
3w0s HYGROMYCIN-B
4-O-KINASE

(Escherichia
coli) 		PF01636
(APH) 		3 ASN A  51
ARG A  49
ASP A 198
 None
None
HY0  A 401 (-2.7A)
 0.97A 2qe6B-3w0sA:
undetectable		 2qe6B-3w0sA:
23.02
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.
4acz ENDO-ALPHA-MANNOSIDA
SE

(Bacteroides
thetaiotaomicron) 		PF16317
(Glyco_hydro_99) 		3 ASN B 294
ARG B 291
ASP B 194
 None
 0.97A 2qe6B-4aczB:
1.8		 2qe6B-4aczB:
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.
4btf MIXED LINEAGE KINASE
DOMAIN-LIKE PROTEIN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		3 ASN A  33
ARG A  30
ASP A 143
 None
 0.89A 2qe6B-4btfA:
undetectable		 2qe6B-4btfA:
21.16
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.
4bz2 FAB 2D73 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 ASN H  33
ARG H  99
ASP H 104
 None
PEG  H 226 (-3.0A)
None
 0.88A 2qe6B-4bz2H:
undetectable		 2qe6B-4bz2H:
21.60
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.
4cvu BETA-MANNOSIDASE

(Trichoderma
harzianum) 		PF00703
(Glyco_hydro_2) 		3 ASN A 230
ARG A 474
ASP A 434
 None
None
CD  A1983 (-2.3A)
 0.99A 2qe6B-4cvuA:
1.6		 2qe6B-4cvuA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d51 CYMA

(Klebsiella
oxytoca) 		PF16941
(CymA) 		3 ASN A 156
ARG A 139
ASP A   3
 None
 0.95A 2qe6B-4d51A:
undetectable		 2qe6B-4d51A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4etp KINESIN-LIKE PROTEIN
KAR3

(Saccharomyces
cerevisiae) 		PF00225
(Kinesin) 		3 ASN A 582
ARG A 585
ASP A 529
 None
 0.80A 2qe6B-4etpA:
undetectable		 2qe6B-4etpA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		3 ASN A 378
ARG A 381
ASP A 858
 SO4  A1016 ( 4.0A)
None
None
 0.80A 2qe6B-4fysA:
undetectable		 2qe6B-4fysA:
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.
4hpv S-ADENOSYLMETHIONINE
SYNTHASE

(Sulfolobus
solfataricus) 		PF01941
(AdoMet_Synthase) 		3 ASN A 209
ARG A 206
ASP A  13
 None
 0.82A 2qe6B-4hpvA:
undetectable		 2qe6B-4hpvA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP
EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus;
Aspergillus
fumigatus) 		PF02128
(Peptidase_M36)
PF07504
(FTP) 		3 ASN A 383
ARG A 407
ASP B 218
 None
 0.98A 2qe6B-4k90A:
undetectable		 2qe6B-4k90A:
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.
4kbx UNCHARACTERIZED
PROTEIN YHFX

(Escherichia
coli) 		PF01168
(Ala_racemase_N) 		3 ASN A  41
ARG A  44
ASP A 270
 None
 0.81A 2qe6B-4kbxA:
undetectable		 2qe6B-4kbxA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 ASN B 310
ARG B 313
ASP B 400
 None
 0.95A 2qe6B-4l37B:
undetectable		 2qe6B-4l37B:
18.23
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.
4m6f DNA-INVERTASE

(Escherichia
virus Mu) 		PF00239
(Resolvase)
PF02796
(HTH_7) 		3 ASN A  14
ARG A  65
ASP A  33
 None
 0.92A 2qe6B-4m6fA:
undetectable		 2qe6B-4m6fA:
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.
4pke PROTEIN C10C5.1,
ISOFORM I

(Caenorhabditis
elegans) 		PF12166
(Piezo_RRas_bdg) 		3 ASN A 109
ARG A 108
ASP A 168
 None
 0.96A 2qe6B-4pkeA:
undetectable		 2qe6B-4pkeA:
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.
4q5t LIPOPROTEIN

(Streptococcus
mutans) 		PF03180
(Lipoprotein_9) 		3 ASN A 147
ARG A 150
ASP A 276
 None
 0.99A 2qe6B-4q5tA:
undetectable		 2qe6B-4q5tA:
24.05
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.
4r10 PROTEIN HUMPBACK-2

(Caenorhabditis
elegans) 		PF00514
(Arm) 		3 ASN A 360
ARG A 404
ASP A 552
 None
 0.91A 2qe6B-4r10A:
undetectable		 2qe6B-4r10A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s24 MODULATOR OF DRUG
ACTIVITY B

(Yersinia pestis) 		PF02525
(Flavodoxin_2) 		3 ASN A 169
ARG A 129
ASP A 145
 None
None
PEG  A 203 (-3.2A)
 0.91A 2qe6B-4s24A:
undetectable		 2qe6B-4s24A:
20.52
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.
4uq9 CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF17189
(Glyco_hydro_30C) 		3 ASN A 124
ARG A  67
ASP A  26
 None
 0.91A 2qe6B-4uq9A:
undetectable		 2qe6B-4uq9A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4utf GLYCOSYL HYDROLASE
FAMILY 71

(Bacteroides
xylanisolvens) 		PF16317
(Glyco_hydro_99) 		3 ASN A 298
ARG A 295
ASP A 196
 MAN  A 511 (-3.4A)
MAN  A 511 ( 3.1A)
MAN  A 510 (-2.8A)
 0.91A 2qe6B-4utfA:
undetectable		 2qe6B-4utfA:
22.42
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.
4woe TAUROCYAMINE KINASE

(Schistosoma
mansoni) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		3 ASN A 271
ARG A 326
ASP A 320
 NO3  A 807 ( 3.2A)
None
ADP  A 801 (-3.9A)
 0.89A 2qe6B-4woeA:
undetectable		 2qe6B-4woeA:
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.
4wvm STONUSTOXIN SUBUNIT
BETA

(Synanceia
horrida) 		PF00622
(SPRY)
PF13765
(PRY) 		3 ASN B 368
ARG B 371
ASP B 161
 None
 0.86A 2qe6B-4wvmB:
undetectable		 2qe6B-4wvmB:
16.84
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.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		3 ASN A 224
ARG A 225
ASP A 238
 None
 0.95A 2qe6B-4xnuA:
undetectable		 2qe6B-4xnuA:
20.91
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.
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN

(Homo sapiens) 		PF00017
(SH2)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
PF16454
(PI3K_P85_iSH2) 		3 ASN A 377
ARG A 373
ASP A1454
 None
 0.94A 2qe6B-4yknA:
undetectable		 2qe6B-4yknA:
11.12
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.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		3 ASN A  45
ARG A 462
ASP A 457
 None
 0.99A 2qe6B-4zxlA:
undetectable		 2qe6B-4zxlA:
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.
5a01 O-GLYCOSYLTRANSFERAS
E

(Drosophila
melanogaster) 		PF13374
(TPR_10)
PF13414
(TPR_11)
PF13844
(Glyco_transf_41) 		3 ASN A 364
ARG A 367
ASP A 425
 None
 0.93A 2qe6B-5a01A:
undetectable		 2qe6B-5a01A:
19.00
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.
5fr8 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ASN A  78
ARG A 227
ASP A 176
 None
 0.91A 2qe6B-5fr8A:
undetectable		 2qe6B-5fr8A:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5inr DIPEPTIDASE

(Lactobacillus
farciminis) 		PF03577
(Peptidase_C69) 		3 ASN A  45
ARG A  70
ASP A 426
 None
EDO  A 510 (-3.8A)
None
 0.87A 2qe6B-5inrA:
undetectable		 2qe6B-5inrA:
20.79
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.
5mdu RPB7-BINDING PROTEIN
SEB1

(Schizosaccharomyces
pombe) 		PF00076
(RRM_1) 		3 ASN A 463
ARG A 472
ASP A 468
 None
NA  A 603 (-4.3A)
None
 1.00A 2qe6B-5mduA:
undetectable		 2qe6B-5mduA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mgv PHENYLALANINE--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01409
(tRNA-synt_2d)
PF03147
(FDX-ACB) 		3 ASN A 111
ARG A 112
ASP A  91
 None
 0.94A 2qe6B-5mgvA:
undetectable		 2qe6B-5mgvA:
23.49
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.
5mvh BACCELL_00856

(Bacteroides
cellulosilyticus) 		PF15892
(BNR_4) 		3 ASN A 309
ARG A 298
ASP A 291
 None
 1.00A 2qe6B-5mvhA:
undetectable		 2qe6B-5mvhA:
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 3 ASN A 464
ARG A 467
ASP A 408
 None
 0.99A 2qe6B-5ng6A:
undetectable		 2qe6B-5ng6A:
12.31
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.
5npr UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110 KDA
SUBUNIT

(Homo sapiens) 		no annotation 3 ASN A 325
ARG A 328
ASP A 420
 None
 0.72A 2qe6B-5nprA:
undetectable		 2qe6B-5nprA:
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.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 3 ASN A 316
ARG A 319
ASP A 260
 None
 0.94A 2qe6B-5oasA:
1.8		 2qe6B-5oasA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 3 ASN A 193
ARG A 196
ASP A 577
 None
 0.64A 2qe6B-5opqA:
undetectable		 2qe6B-5opqA:
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.
5oq3 CWP19

(Clostridioides
difficile) 		no annotation 3 ASN A 355
ARG A 356
ASP A 381
 None
 0.94A 2qe6B-5oq3A:
undetectable		 2qe6B-5oq3A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tsh TYPE IV PILUS
BIOGENESIS ATPASE
PILB

(Geobacter
metallireducens) 		PF00437
(T2SSE) 		3 ASN A 433
ARG A 430
ASP A 423
 None
 0.79A 2qe6B-5tshA:
undetectable		 2qe6B-5tshA:
19.59
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.
5u8e ARGININE KINASE

(Polybetes
pythagoricus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		3 ASN A 274
ARG A 330
ASP A 324
 None
 0.98A 2qe6B-5u8eA:
undetectable		 2qe6B-5u8eA:
20.65
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.
5ubk ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		3 ASN A 591
ARG A  31
ASP A 513
 None
 1.00A 2qe6B-5ubkA:
undetectable		 2qe6B-5ubkA:
18.51
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.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		3 ASN A  17
ARG A  18
ASP A 317
 None
G6P  A 502 (-3.8A)
None
 0.94A 2qe6B-5v0tA:
undetectable		 2qe6B-5v0tA:
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.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		3 ASN A1122
ARG A1125
ASP A1085
 None
 0.97A 2qe6B-5vsdA:
undetectable		 2qe6B-5vsdA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vyq UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF00551
(Formyl_trans_N) 		3 ASN A  86
ARG A  90
ASP A 114
 None
 0.94A 2qe6B-5vyqA:
undetectable		 2qe6B-5vyqA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens) 		no annotation 3 ASN A 216
ARG A 207
ASP A 747
 None
 0.87A 2qe6B-5weaA:
undetectable		 2qe6B-5weaA:
15.80
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 3 ASN A 186
ARG A 185
ASP A 384
 None
 0.95A 2qe6B-5wmmA:
12.5		 2qe6B-5wmmA:
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.
5x0y TRANSCRIPTION
REGULATORY PROTEIN
SNF2

(Saccharomyces
cerevisiae) 		PF00176
(SNF2_N)
PF00271
(Helicase_C)
PF14619
(SnAC) 		3 ASN O 687
ARG O 684
ASP O 743
 None
 0.92A 2qe6B-5x0yO:
undetectable		 2qe6B-5x0yO:
18.45
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.
5ykb TREHALOSE SYNTHASE

(Deinococcus
radiodurans) 		no annotation 3 ASN A 399
ARG A 402
ASP A  67
 None
 0.90A 2qe6B-5ykbA:
undetectable		 2qe6B-5ykbA:
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.
6byf TYROSINE-PROTEIN
PHOSPHATASE SIW14

(Saccharomyces
cerevisiae) 		no annotation 3 ASN A 121
ARG A 131
ASP A 255
 None
 0.93A 2qe6B-6byfA:
undetectable		 2qe6B-6byfA:
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.
6chs PUTATIVE CELL
DIVISION CONTROL
PROTEIN

(Chaetomium
thermophilum) 		no annotation 3 ASN H 619
ARG H 616
ASP H 609
 None
 0.89A 2qe6B-6chsH:
undetectable		 2qe6B-6chsH:
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.
6d2v TERB OXIDOREDUCTASE

(Streptomyces) 		no annotation 3 ASN A 235
ARG A 171
ASP A 136
 None
 0.84A 2qe6B-6d2vA:
4.9		 2qe6B-6d2vA:
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.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 3 ASN A 158
ARG A  98
ASP A 356
 None
None
PO4  A 601 ( 4.9A)
 0.90A 2qe6B-6dd3A:
undetectable		 2qe6B-6dd3A:
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.
6dw1


(;
) 		no annotation
no annotation 		3 ASN E 113
ARG E 129
ASP D 148
 None
 0.88A 2qe6B-6dw1E:
undetectable		 2qe6B-6dw1E:
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.
6fkh ATP SYNTHASE SUBUNIT
ALPHA, CHLOROPLASTIC
ATP SYNTHASE SUBUNIT
BETA, CHLOROPLASTIC

(Spinacia
oleracea;
Spinacia
oleracea) 		no annotation
no annotation 		3 ASN D  71
ARG D  73
ASP C   7
 None
 0.98A 2qe6B-6fkhD:
undetectable		 2qe6B-6fkhD:
undetectable