SIMILAR PATTERNS OF AMINO ACIDS FOR 2QE6_A_SAMA400_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.
1cfz HYDROGENASE 2
MATURATION PROTEASE

(Escherichia
coli) 		PF01750
(HycI) 		5 ILE A  60
ALA A  61
GLY A   9
GLY A  19
GLY A  41
 None
None
CD  A 163 ( 4.2A)
None
None
 0.87A 2qe6A-1cfzA:
undetectable		 2qe6A-1cfzA:
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.
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) 		5 ALA A 109
GLY A 381
GLY A 297
ILE D  47
GLY A 386
 PDT  A   4 ( 3.1A)
SF4  A   3 ( 3.9A)
PDT  A   4 (-3.3A)
None
SF4  A   3 ( 4.3A)
 0.90A 2qe6A-1e08A:
undetectable		 2qe6A-1e08A:
22.02
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.
1gy8 UDP-GALACTOSE
4-EPIMERASE

(Trypanosoma
brucei) 		PF01370
(Epimerase) 		6 ALA A   9
GLY A   8
ASP A  75
VAL A  76
ARG A  77
VAL A  96
 NAD  A1382 ( 4.3A)
None
NAD  A1382 (-2.9A)
NAD  A1382 (-3.7A)
NAD  A1382 ( 4.5A)
None
 1.40A 2qe6A-1gy8A:
undetectable		 2qe6A-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.
1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))

(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		PF02906
(Fe_hyd_lg_C)
PF13237
(Fer4_10)
PF02256
(Fe_hyd_SSU) 		5 GLY L 297
GLY L 381
VAL L 302
GLY L 301
TYR S  51
 CYN  L 429 ( 3.7A)
SF4  L 424 ( 4.4A)
None
None
None
 0.87A 2qe6A-1hfeL:
undetectable		 2qe6A-1hfeL:
20.74
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.
1htq GLUTAMINE SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		6 ILE A 134
TYR A 133
GLY A 214
ASP A 193
GLY A 216
TYR A 188
 None
 1.13A 2qe6A-1htqA:
undetectable		 2qe6A-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.
1iir GLYCOSYLTRANSFERASE
GTFB

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 ILE A 382
ALA A 379
GLY A 321
VAL A 340
ARG A 339
 None
 0.83A 2qe6A-1iirA:
3.6		 2qe6A-1iirA:
23.31
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.
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
 0.85A 2qe6A-1ir6A:
2.3		 2qe6A-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.
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 2qe6A-1nkvA:
10.2		 2qe6A-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.
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 136
GLY A  76
ASP A  97
ARG A 102
GLY A 209
 None
 0.83A 2qe6A-1nxkA:
undetectable		 2qe6A-1nxkA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qpa LIGNIN PEROXIDASE

(Phanerochaete
chrysosporium) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 ALA A  41
GLY A 113
ASP A  23
VAL A  20
GLY A 106
 None
 0.84A 2qe6A-1qpaA:
undetectable		 2qe6A-1qpaA:
23.65
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.
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)
 0.67A 2qe6A-1ri3A:
13.7		 2qe6A-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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		6 ALA A 455
TYR A 454
GLY A 383
GLY A 376
ASP A 422
GLY A 381
 None
 1.09A 2qe6A-1v7vA:
undetectable		 2qe6A-1v7vA:
16.79
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.
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
 0.87A 2qe6A-1w27A:
undetectable		 2qe6A-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.
1wfz NITROGEN FIXATION
CLUSTER-LIKE

(Mus musculus) 		PF01592
(NifU_N) 		5 ALA A 112
GLY A  26
ILE A 110
VAL A  36
GLY A  29
 None
 0.90A 2qe6A-1wfzA:
undetectable		 2qe6A-1wfzA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.75A 2qe6A-1zjyA:
6.7		 2qe6A-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.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		6 TYR A  20
GLY A  63
GLY A  65
ASP A 142
VAL A 143
TYR A  11
 SAH  A4001 (-4.2A)
SAH  A4001 (-3.9A)
SAH  A4001 (-3.0A)
SAH  A4001 (-3.7A)
SAH  A4001 (-3.7A)
SAH  A4001 ( 3.8A)
 1.35A 2qe6A-2a14A:
14.0		 2qe6A-2a14A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b9u HYPOTHETICAL
DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Sulfurisphaera
tokodaii) 		PF00908
(dTDP_sugar_isom) 		5 ILE A 112
GLY A 119
ASP A  86
VAL A  87
ARG A  88
 None
 0.84A 2qe6A-2b9uA:
undetectable		 2qe6A-2b9uA:
19.78
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.
2fqx MEMBRANE LIPOPROTEIN
TMPC

(Treponema
pallidum) 		PF02608
(Bmp) 		5 ALA A 292
GLY A 123
GLY A 287
ASP A 108
GLY A 127
 None
None
None
GMP  A 400 (-3.3A)
None
 0.88A 2qe6A-2fqxA:
undetectable		 2qe6A-2fqxA:
22.02
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.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		6 TYR A  21
GLY A  64
GLY A  66
ASP A 143
VAL A 144
TYR A  12
 SAH  A4001 (-4.5A)
SAH  A4001 (-4.1A)
SAH  A4001 (-3.2A)
SAH  A4001 (-4.0A)
SAH  A4001 (-3.6A)
SAH  A4001 (-3.8A)
 1.27A 2qe6A-2i62A:
15.0		 2qe6A-2i62A:
25.24
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.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		6 TYR A  20
GLY A  63
GLY A  65
ASP A 142
VAL A 143
TYR A  11
 SAH  A4001 (-4.6A)
SAH  A4001 (-4.0A)
SAH  A4001 (-3.0A)
SAH  A4001 (-3.7A)
SAH  A4001 (-3.7A)
SAH  A4001 (-3.7A)
 1.28A 2qe6A-2iipA:
14.4		 2qe6A-2iipA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j0w LYSINE-SENSITIVE
ASPARTOKINASE 3

(Escherichia
coli) 		PF00696
(AA_kinase)
PF01842
(ACT) 		6 ALA A  40
GLY A 183
ASP A 141
VAL A 142
ARG A 143
GLY A 200
 ASP  A 502 ( 4.7A)
None
None
None
None
ASP  A 502 (-4.2A)
 1.26A 2qe6A-2j0wA:
undetectable		 2qe6A-2j0wA:
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.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		6 ILE A 291
ALA A 286
GLY A 276
ILE A 294
VAL A 252
GLY A 254
 None
 1.32A 2qe6A-2jg5A:
3.8		 2qe6A-2jg5A:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2leo SERINE PROTEASE
INHIBITOR KAZAL-TYPE
7

(Homo sapiens) 		PF00050
(Kazal_1) 		5 GLY A  61
ILE A  58
ASP A  56
VAL A  77
ARG A  76
 None
 0.90A 2qe6A-2leoA:
undetectable		 2qe6A-2leoA:
13.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.88A 2qe6A-2nm0A:
undetectable		 2qe6A-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.
2o4c ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		5 TYR A 318
GLY A 101
VAL A 134
VAL A  95
GLY A  94
 None
 0.87A 2qe6A-2o4cA:
undetectable		 2qe6A-2o4cA:
24.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.63A 2qe6A-2p8jA:
14.4		 2qe6A-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)
 0.35A 2qe6A-2pxxA:
11.0		 2qe6A-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)
 0.21A 2qe6A-2qe6A:
51.6		 2qe6A-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
 0.81A 2qe6A-2uvdA:
6.6		 2qe6A-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.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		6 ILE A  96
ALA A 118
TYR A 116
ASP A  44
VAL A  45
VAL A  89
 None
None
None
C2F  A3000 ( 4.5A)
None
None
 1.43A 2qe6A-2ycjA:
undetectable		 2qe6A-2ycjA:
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.
2zxo SINGLE-STRANDED DNA
SPECIFIC 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
 0.90A 2qe6A-2zxoA:
undetectable		 2qe6A-2zxoA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 ILE A 434
GLY A  14
ILE A 410
GLY A  36
TYR A  39
 None
 0.86A 2qe6A-3a0fA:
undetectable		 2qe6A-3a0fA:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cyj MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 155
GLY A 151
ILE A 158
ARG A 160
GLY A 184
 None
 0.88A 2qe6A-3cyjA:
undetectable		 2qe6A-3cyjA:
24.22
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.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 371
ILE A 396
ASP A 414
VAL A 415
GLY A 334
 FAB  A 701 (-3.5A)
FAB  A 701 (-3.8A)
FAB  A 701 (-4.0A)
FAB  A 701 (-3.8A)
None
 0.84A 2qe6A-3e9yA:
2.2		 2qe6A-3e9yA:
20.25
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.
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
 0.89A 2qe6A-3emkA:
5.9		 2qe6A-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.
3fhh OUTER MEMBRANE HEME
RECEPTOR SHUA

(Shigella
dysenteriae) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 114
ARG A  69
VAL A 119
GLY A 118
TYR A  66
 None
 0.89A 2qe6A-3fhhA:
undetectable		 2qe6A-3fhhA:
18.31
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.
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
 0.86A 2qe6A-3ftpA:
6.0		 2qe6A-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.
3g4s 50S RIBOSOMAL
PROTEIN L6P

(Haloarcula
marismortui) 		PF00347
(Ribosomal_L6) 		5 GLY E  75
GLY E  79
ILE E 138
ARG E  31
GLY E  27
 None
None
U  02781 ( 4.3A)
G  02794 ( 4.5A)
None
 0.86A 2qe6A-3g4sE:
undetectable		 2qe6A-3g4sE:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.72A 2qe6A-3g7uA:
6.4		 2qe6A-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
 0.78A 2qe6A-3gafA:
6.6		 2qe6A-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 2qe6A-3gceA:
undetectable		 2qe6A-3gceA:
19.57
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.
3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Ruminiclostridium
thermocellum) 		PF13561
(adh_short_C2) 		5 GLY A   9
GLY A  11
ILE A  34
ASP A  55
VAL A  56
 THJ  A 249 (-3.4A)
None
THJ  A 249 (-4.5A)
None
None
 0.79A 2qe6A-3gedA:
6.8		 2qe6A-3gedA:
23.33
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)
 0.44A 2qe6A-3go4A:
36.4		 2qe6A-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
 0.78A 2qe6A-3grpA:
2.8		 2qe6A-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.
3h4i GLYCOSYLTRANSFERASE
GTFA,
GLYCOSYLTRANSFERASE

(Actinoplanes
teichomyceticus;
Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 ILE A 365
ALA A 362
GLY A 304
VAL A 323
ARG A 322
 None
 0.89A 2qe6A-3h4iA:
2.6		 2qe6A-3h4iA:
21.95
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.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 GLY A 712
GLY A 709
ILE A 723
VAL A 715
GLY A 716
 None
 0.87A 2qe6A-3iayA:
undetectable		 2qe6A-3iayA:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.85A 2qe6A-3iccA:
5.6		 2qe6A-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 2qe6A-3kvoA:
6.2		 2qe6A-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.
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)
 0.39A 2qe6A-3o7wA:
16.1		 2qe6A-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.
3okx YAEB-LIKE PROTEIN
RPA0152

(Rhodopseudomonas
palustris) 		PF01980
(UPF0066) 		5 ILE A 115
ALA A 116
GLY A  44
GLY A 130
ARG A 103
 None
None
None
None
SAM  A 201 (-4.0A)
 0.88A 2qe6A-3okxA:
undetectable		 2qe6A-3okxA:
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.
3ozx RNASE L INHIBITOR

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		5 ILE A 526
ALA A 527
GLY A 372
ILE A 522
VAL A 482
 None
 0.90A 2qe6A-3ozxA:
undetectable		 2qe6A-3ozxA:
19.74
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.
3pgx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		6 ALA A  56
GLY A  18
ILE A  43
ASP A  81
VAL A  82
ARG A  83
 NAD  A 277 (-3.3A)
NAD  A 277 (-3.4A)
NAD  A 277 (-3.7A)
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
NAD  A 277 ( 4.7A)
 1.00A 2qe6A-3pgxA:
undetectable		 2qe6A-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
ARG A  77
 NAD  A 284 ( 4.2A)
None
NAD  A 284 (-3.6A)
NAD  A 284 (-3.7A)
NAD  A 284 (-3.5A)
None
 1.47A 2qe6A-3pxxA:
6.0		 2qe6A-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) 		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
 1.47A 2qe6A-3pxxA:
6.0		 2qe6A-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) 		6 ALA A  50
GLY A  13
ILE A  38
ASP A  75
VAL A  76
ARG A  77
 NAD  A 284 (-3.4A)
NAD  A 284 (-3.4A)
NAD  A 284 (-3.6A)
NAD  A 284 (-3.7A)
NAD  A 284 (-3.5A)
None
 1.11A 2qe6A-3pxxA:
6.0		 2qe6A-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.
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)
 0.82A 2qe6A-3rkrA:
5.6		 2qe6A-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.
3rwb PYRIDOXAL
4-DEHYDROGENASE

(Mesorhizobium
loti) 		PF13561
(adh_short_C2) 		5 ILE A  23
ALA A  22
GLY A  18
ILE A 219
GLY A  14
 None
None
NAD  A 251 (-3.4A)
None
NAD  A 251 (-3.4A)
 0.81A 2qe6A-3rwbA:
6.1		 2qe6A-3rwbA:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sx2 PUTATIVE
3-KETOACYL-(ACYL-CAR
RIER-PROTEIN)
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ALA A  55
GLY A  18
ASP A  80
VAL A  81
ARG A  82
 NAD  A 300 (-3.3A)
NAD  A 300 (-3.4A)
NAD  A 300 (-3.6A)
NAD  A 300 (-3.6A)
None
 0.79A 2qe6A-3sx2A:
undetectable		 2qe6A-3sx2A:
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.
3two MANNITOL
DEHYDROGENASE

(Helicobacter
pylori) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 296
GLY A 294
ASP A 304
VAL A 303
GLY A  89
 None
 0.89A 2qe6A-3twoA:
4.5		 2qe6A-3twoA:
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.
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
 0.79A 2qe6A-3u5tA:
6.1		 2qe6A-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 GLY A  14
ILE A  39
ASP A  80
VAL A  81
ARG A  82
 NAD  A 300 (-3.4A)
NAD  A 300 (-3.8A)
NAD  A 300 (-3.4A)
NAD  A 300 (-3.6A)
NAD  A 300 ( 4.9A)
 0.87A 2qe6A-3uveA:
undetectable		 2qe6A-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)
 0.89A 2qe6A-3v2gA:
6.1		 2qe6A-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.
3vzq ACETOACETYL-COA
REDUCTASE

(Cupriavidus
necator) 		PF00106
(adh_short) 		5 ILE A  19
ALA A  18
GLY A  14
ILE A 217
GLY A  10
 None
 0.87A 2qe6A-3vzqA:
5.8		 2qe6A-3vzqA:
24.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.80A 2qe6A-3wtbA:
5.4		 2qe6A-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.
3zv8 3C PROTEASE

(Enterovirus D) 		PF00548
(Peptidase_C3) 		5 ILE A  72
GLY A 148
ILE A  37
VAL A 151
GLY A 159
 None
 0.88A 2qe6A-3zv8A:
undetectable		 2qe6A-3zv8A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.68A 2qe6A-4a11B:
undetectable		 2qe6A-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
GLY A 364
 None
 0.88A 2qe6A-4a35A:
undetectable		 2qe6A-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.
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
 0.83A 2qe6A-4bo6A:
5.9		 2qe6A-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.
4dio NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA PART 1

(Sinorhizobium
meliloti) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 ILE A 291
ALA A 296
ASP A 226
VAL A 227
ARG A 228
 None
 0.84A 2qe6A-4dioA:
5.6		 2qe6A-4dioA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eyg TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		6 ALA A  53
GLY A 312
GLY A 309
VAL A 316
VAL A 125
GLY A 102
 None
 1.29A 2qe6A-4eygA:
undetectable		 2qe6A-4eygA:
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.
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)
 0.85A 2qe6A-4fn4A:
6.6		 2qe6A-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)
 0.83A 2qe6A-4gvxA:
6.1		 2qe6A-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.
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)
 0.75A 2qe6A-4i59A:
undetectable		 2qe6A-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)
 0.78A 2qe6A-4ituA:
4.5		 2qe6A-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.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		6 ILE A  17
ALA A  73
GLY A 225
ASP A 135
ARG A 227
VAL A  10
 None
None
None
EDO  A 718 (-3.1A)
EDO  A 718 ( 4.8A)
None
 1.29A 2qe6A-4jclA:
undetectable		 2qe6A-4jclA:
18.14
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.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		6 ALA A 194
GLY A 166
GLY A 168
ILE A 190
ASP A 217
ARG A 219
 SAH  A 401 ( 3.8A)
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)
 1.36A 2qe6A-4m73A:
15.1		 2qe6A-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.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		6 ILE A 195
ALA A 194
GLY A 170
GLY A 168
VAL A 202
GLY A 187
 None
SAH  A 401 ( 3.8A)
None
SAH  A 401 (-3.5A)
None
None
 1.09A 2qe6A-4m73A:
15.1		 2qe6A-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
 0.81A 2qe6A-4m8sA:
6.3		 2qe6A-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.
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
 0.81A 2qe6A-4mowA:
6.1		 2qe6A-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
 0.85A 2qe6A-4n1aA:
undetectable		 2qe6A-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.
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)
 0.86A 2qe6A-4nbtA:
6.1		 2qe6A-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.
4oso REDUCTASE HOMOLOG

(Streptomyces
cyanogenus) 		PF13561
(adh_short_C2) 		5 ILE A  22
ALA A  21
GLY A  17
ILE A 224
GLY A  13
 None
None
NAP  A 301 (-3.6A)
None
NAP  A 301 (-3.2A)
 0.88A 2qe6A-4osoA:
5.8		 2qe6A-4osoA:
24.65
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.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 ILE A 169
ALA A 170
ILE A  94
VAL A 328
GLY A 327
 None
 0.89A 2qe6A-4qa9A:
undetectable		 2qe6A-4qa9A:
21.14
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.
4r8e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ALA A 235
GLY A 188
GLY A 236
ILE A 142
VAL A 167
GLY A 346
 None
 1.46A 2qe6A-4r8eA:
undetectable		 2qe6A-4r8eA:
21.87
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.
4r8z CYCLIC DI-GMP
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF13487
(HD_5) 		5 ALA A 278
GLY A 223
GLY A 253
ASP A 171
GLY A 248
 None
None
None
NI  A 401 ( 4.5A)
None
 0.89A 2qe6A-4r8zA:
undetectable		 2qe6A-4r8zA:
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.
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
 0.82A 2qe6A-4rf3A:
6.7		 2qe6A-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.
4rnc ESTERASE

(Rhodococcus sp.
ECU1013) 		PF12697
(Abhydrolase_6) 		5 GLY A 103
GLY A  32
ASP A 109
VAL A 125
GLY A 126
 None
PO4  A 301 ( 3.7A)
None
None
None
 0.89A 2qe6A-4rncA:
undetectable		 2qe6A-4rncA:
23.80
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.
4rzi 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Synechocystis
sp. PCC 6803) 		no annotation 5 ILE B  24
ALA B  23
GLY B  19
ILE B 211
GLY B  15
 None
 0.80A 2qe6A-4rziB:
6.0		 2qe6A-4rziB:
24.46
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.
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
 0.68A 2qe6A-4u7tA:
5.5		 2qe6A-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.
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)
 0.44A 2qe6A-5bp7A:
9.7		 2qe6A-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
 0.85A 2qe6A-5c2cA:
undetectable		 2qe6A-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
 0.76A 2qe6A-5cejA:
5.9		 2qe6A-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.
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)
 0.80A 2qe6A-5e9jA:
14.9		 2qe6A-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.
5ej2 CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  22
ILE A  47
ASP A  84
VAL A  85
ARG A  86
 NAD  A 300 (-3.5A)
NAD  A 300 (-3.8A)
NAD  A 300 (-3.3A)
NAD  A 300 (-3.6A)
NAD  A 300 ( 4.8A)
 0.83A 2qe6A-5ej2A:
undetectable		 2qe6A-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
 0.73A 2qe6A-5endA:
6.5		 2qe6A-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 2qe6A-5epeA:
8.0		 2qe6A-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.
5jab BILIVERDIN REDUCTASE
RV2074

(Mycobacterium
tuberculosis) 		PF01243
(Putative_PNPOx) 		6 ALA A 100
TYR A 104
ILE A  50
VAL A 122
VAL A  40
GLY A  41
 None
None
None
None
6J4  A 201 (-4.2A)
6J4  A 201 (-3.9A)
 1.48A 2qe6A-5jabA:
undetectable		 2qe6A-5jabA:
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.
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)
 0.71A 2qe6A-5je3A:
13.3		 2qe6A-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.
5jy1 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  13
GLY A  15
ILE A  38
ASP A  63
VAL A  64
 NAD  A 301 (-3.4A)
NAD  A 301 ( 4.2A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.8A)
NAD  A 301 (-3.6A)
 0.81A 2qe6A-5jy1A:
5.2		 2qe6A-5jy1A:
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.
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
 1.17A 2qe6A-5k1rA:
undetectable		 2qe6A-5k1rA:
21.44