SIMILAR PATTERNS OF AMINO ACIDS FOR 2QE6_B_SAMB400_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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