SIMILAR PATTERNS OF AMINO ACIDS FOR 1UAY_A_ADNA1001_1

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bdb CIS-BIPHENYL-2,3-DIH
YDRODIOL-2,3-DEHYDRO
GENASE

(Pseudomonas sp.) 		PF00106
(adh_short) 		7 GLY A  12
ALA A  14
SER A  15
ASP A  36
ASP A  59
VAL A  60
ALA A  87
 NAD  A 300 (-3.3A)
NAD  A 300 ( 3.9A)
NAD  A 300 (-2.6A)
NAD  A 300 (-2.7A)
NAD  A 300 (-3.2A)
NAD  A 300 (-3.6A)
NAD  A 300 ( 3.8A)
 0.46A 1uayA-1bdbA:
27.3		 1uayA-1bdbA:
31.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1e6w SHORT CHAIN
3-HYDROXYACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00106
(adh_short) 		7 GLY A  17
ALA A  19
SER A  20
ASP A  41
VAL A  65
ALA A  92
VAL A 120
 NAD  A 301 (-3.5A)
NAD  A 301 ( 4.0A)
NAD  A 301 (-2.7A)
NAD  A 301 (-2.7A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.6A)
NAD  A 301 (-4.2A)
 0.42A 1uayA-1e6wA:
36.0		 1uayA-1e6wA:
55.00
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.
1ek6 UDP-GALACTOSE
4-EPIMERASE

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		6 GLY A   9
ALA A  11
ASP A  33
ASP A  66
ALA A  89
VAL A 107
 NAI  A 400 (-3.3A)
NAI  A 400 ( 4.3A)
NAI  A 400 (-2.7A)
NAI  A 400 (-3.1A)
NAI  A 400 (-3.7A)
NAI  A 400 ( 4.7A)
 0.50A 1uayA-1ek6A:
17.7		 1uayA-1ek6A:
25.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1geg ACETOIN REDUCTASE

(Klebsiella
pneumoniae) 		PF00106
(adh_short) 		6 GLY A   9
ASP A  33
ASP A  59
VAL A  60
ALA A  87
VAL A  89
 NAD  A2001 (-3.5A)
NAD  A2001 (-2.8A)
NAD  A2001 (-3.6A)
NAD  A2001 (-3.5A)
NAD  A2001 (-3.6A)
None
 0.30A 1uayA-1gegA:
31.3		 1uayA-1gegA:
31.23
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.
1h5q NADP-DEPENDENT
MANNITOL
DEHYDROGENASE

(Agaricus
bisporus) 		PF13561
(adh_short_C2) 		6 GLY A  18
ASP A  69
VAL A  70
ALA A  97
VAL A  99
VAL A 119
 NAP  A 263 ( 3.9A)
NAP  A 263 (-3.5A)
NAP  A 263 (-3.7A)
NAP  A 263 (-3.6A)
None
NAP  A 263 (-4.2A)
 0.45A 1uayA-1h5qA:
29.1		 1uayA-1h5qA:
27.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		6 GLY A  20
SER A  23
ASP A  44
ASP A  72
VAL A  73
ALA A 100
 NAD  A1268 (-3.4A)
NAD  A1268 (-2.7A)
NAD  A1268 (-2.7A)
NAD  A1268 (-3.5A)
NAD  A1268 (-3.5A)
NAD  A1268 ( 3.7A)
 0.49A 1uayA-1iy8A:
30.2		 1uayA-1iy8A:
34.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nff PUTATIVE
OXIDOREDUCTASE
RV2002

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		7 GLY A  14
ALA A  16
ASP A  38
ARG A  17
VAL A  62
ALA A  89
VAL A 111
 NAD  A1300 (-3.5A)
NAD  A1300 ( 4.3A)
NAD  A1300 (-2.8A)
NAD  A1300 (-3.7A)
NAD  A1300 (-3.5A)
NAD  A1300 (-3.6A)
NAD  A1300 ( 4.3A)
 1.31A 1uayA-1nffA:
31.3		 1uayA-1nffA:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nff PUTATIVE
OXIDOREDUCTASE
RV2002

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		7 GLY A  14
ALA A  16
ASP A  38
ASP A  61
VAL A  62
ALA A  89
VAL A 111
 NAD  A1300 (-3.5A)
NAD  A1300 ( 4.3A)
NAD  A1300 (-2.8A)
NAD  A1300 (-3.9A)
NAD  A1300 (-3.5A)
NAD  A1300 (-3.6A)
NAD  A1300 ( 4.3A)
 0.43A 1uayA-1nffA:
31.3		 1uayA-1nffA:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1so8 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE
II

(Homo sapiens) 		PF00106
(adh_short) 		8 GLY A  17
ALA A  19
SER A  20
ASP A  41
LEU A  42
VAL A  65
ALA A  92
VAL A 120
 NA  A 302 (-3.6A)
None
NA  A 302 (-3.6A)
None
None
None
None
None
 0.42A 1uayA-1so8A:
23.8		 1uayA-1so8A:
57.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uls PUTATIVE
3-OXOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		7 GLY A  12
ALA A  14
ASP A  36
ASP A  57
VAL A  58
ALA A  85
VAL A 107
 None
 0.52A 1uayA-1ulsA:
30.7		 1uayA-1ulsA:
39.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a4k 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		6 GLY A  13
ALA A  15
ASP A  37
ASP A  60
VAL A  61
ALA A  88
 None
 0.49A 1uayA-2a4kA:
24.5		 1uayA-2a4kA:
38.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bgk RHIZOME
SECOISOLARICIRESINOL
DEHYDROGENASE

(Podophyllum
peltatum) 		PF13561
(adh_short_C2) 		6 GLY A  23
ALA A  25
ASP A  47
ASP A  72
VAL A  73
VAL A 102
 None
 0.54A 1uayA-2bgkA:
28.0		 1uayA-2bgkA:
30.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cfc 2-(R)-HYDROXYPROPYL-
COM DEHYDROGENASE

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		8 GLY A   9
SER A  12
ASP A  33
LEU A  34
ASP A  60
VAL A  61
ALA A  88
VAL A 113
 NAD  A1251 (-3.5A)
NAD  A1251 (-2.7A)
NAD  A1251 (-2.7A)
NAD  A1251 (-4.2A)
NAD  A1251 (-3.4A)
NAD  A1251 (-3.5A)
NAD  A1251 (-3.6A)
NAD  A1251 ( 4.1A)
 0.32A 1uayA-2cfcA:
30.6		 1uayA-2cfcA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d1y HYPOTHETICAL PROTEIN
TT0321

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		7 GLY A  13
ALA A  15
ASP A  37
LEU A  38
ASP A  57
ALA A  85
VAL A 107
 NAD  A1001 (-3.5A)
NAD  A1001 ( 4.0A)
NAD  A1001 (-2.8A)
NAD  A1001 (-4.2A)
NAD  A1001 (-4.3A)
NAD  A1001 (-3.6A)
NAD  A1001 ( 4.6A)
 0.78A 1uayA-2d1yA:
30.1		 1uayA-2d1yA:
37.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Pseudomonas sp.
B-0831) 		PF13561
(adh_short_C2) 		8 GLY A   8
ALA A  10
SER A  11
ASP A  32
ASP A  41
ALA A  70
VAL A  72
VAL A  85
 NAI  A4000 (-3.5A)
NAI  A4000 ( 3.9A)
NAI  A4000 (-2.6A)
NAI  A4000 (-2.7A)
NAI  A4000 (-4.1A)
NAI  A4000 (-3.7A)
NAI  A4000 (-4.9A)
NAI  A4000 (-4.4A)
 0.70A 1uayA-2dknA:
25.5		 1uayA-2dknA:
31.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ewm (S)-1-PHENYLETHANOL
DEHYDROGENASE

(Azoarcus) 		PF13561
(adh_short_C2) 		7 GLY A  14
ALA A  16
ASP A  38
LEU A  39
ASP A  62
VAL A  63
ALA A  90
 NAD  A 257 (-3.3A)
NAD  A 257 ( 3.7A)
NAD  A 257 (-2.8A)
NAD  A 257 (-4.1A)
NAD  A 257 (-3.5A)
NAD  A 257 (-3.4A)
NAD  A 257 ( 4.0A)
 0.43A 1uayA-2ewmA:
27.6		 1uayA-2ewmA:
27.55
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.
2gdz NAD+-DEPENDENT
15-HYDROXYPROSTAGLAN
DIN DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		7 GLY A  12
ALA A  14
ASP A  36
ASP A  64
VAL A  65
ALA A  92
VAL A  94
 NAD  A 300 (-3.3A)
NAD  A 300 ( 3.9A)
NAD  A 300 (-2.8A)
NAD  A 300 (-3.8A)
NAD  A 300 (-3.5A)
NAD  A 300 (-3.6A)
None
 0.29A 1uayA-2gdzA:
27.8		 1uayA-2gdzA:
25.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hsd 3-ALPHA, 20
BETA-HYDROXYSTEROID
DEHYDROGENASE

(Streptomyces
exfoliatus) 		PF13561
(adh_short_C2) 		6 GLY A  13
ALA A  15
ASP A  37
ASP A  60
VAL A  61
ALA A  88
 NAD  A 256 (-3.2A)
NAD  A 256 ( 3.8A)
NAD  A 256 (-2.7A)
NAD  A 256 (-4.2A)
NAD  A 256 (-4.0A)
NAD  A 256 (-3.2A)
 0.51A 1uayA-2hsdA:
29.4		 1uayA-2hsdA:
36.68
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		6 GLY A  30
ALA A  32
ASP A  62
LEU A  63
ASP A  79
VAL A  80
 SAM  A 201 (-3.5A)
SAM  A 201 (-3.8A)
SAM  A 201 (-2.8A)
SAM  A 201 (-4.2A)
SAM  A 201 (-3.3A)
SAM  A 201 (-3.9A)
 0.55A 1uayA-2nyuA:
9.1		 1uayA-2nyuA:
24.81
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.
2p5u UDP-GLUCOSE
4-EPIMERASE

(Thermus
thermophilus) 		PF01370
(Epimerase) 		6 GLY A   7
ALA A   9
ASP A  31
ASP A  51
ALA A  74
VAL A  92
 NAD  A1118 (-3.4A)
NAD  A1118 (-4.1A)
NAD  A1118 (-2.7A)
NAD  A1118 (-3.0A)
NAD  A1118 (-3.5A)
NAD  A1118 ( 4.7A)
 0.42A 1uayA-2p5uA:
17.8		 1uayA-2p5uA:
27.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		7 GLY A  18
SER A  21
ASP A  42
ASP A  66
VAL A  67
ALA A  93
VAL A 115
 NAD  A 500 (-3.3A)
NAD  A 500 (-2.7A)
NAD  A 500 (-2.8A)
NAD  A 500 (-3.6A)
NAD  A 500 (-3.6A)
NAD  A 500 (-3.6A)
NAD  A 500 (-4.1A)
 0.47A 1uayA-2wsbA:
30.6		 1uayA-2wsbA:
31.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y93 CIS-2,3-DIHYDROBIPHE
NYL-2,3-DIOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF00106
(adh_short) 		8 GLY A  12
ALA A  14
SER A  15
ASP A  36
ASP A  59
VAL A  60
ALA A  87
VAL A 114
 None
 0.64A 1uayA-2y93A:
27.0		 1uayA-2y93A:
32.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 8 GLY C   9
ALA C  11
ASP C  33
LEU C  34
ASP C  61
VAL C  62
ALA C  89
VAL C 111
 NAD  C4300 (-3.6A)
NAD  C4300 ( 4.0A)
NAD  C4300 (-3.0A)
NAD  C4300 ( 4.4A)
NAD  C4300 (-3.7A)
NAD  C4300 (-3.6A)
NAD  C4300 ( 3.8A)
NAD  C4300 ( 4.4A)
 0.35A 1uayA-3a28C:
31.0		 1uayA-3a28C:
32.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ak4 NADH-DEPENDENT
QUINUCLIDINONE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF13561
(adh_short_C2) 		8 GLY A  16
ASP A  40
LEU A  41
ASP A  63
VAL A  64
ALA A  91
VAL A  93
VAL A 113
 NAD  A 901 (-3.6A)
NAD  A 901 (-2.8A)
NAD  A 901 (-3.9A)
NAD  A 901 (-3.8A)
NAD  A 901 (-3.6A)
NAD  A 901 ( 3.7A)
None
NAD  A 901 ( 4.5A)
 0.49A 1uayA-3ak4A:
30.6		 1uayA-3ak4A:
33.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3awd PUTATIVE POLYOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		7 GLY A  17
ALA A  19
ASP A  41
LEU A  42
ASP A  67
VAL A  68
ALA A  95
 None
 0.67A 1uayA-3awdA:
30.3		 1uayA-3awdA:
32.84
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		6 GLY A  36
ASP A  60
ASP A  83
VAL A  84
ALA A 111
VAL A 113
 None
 0.48A 1uayA-3gvcA:
31.5		 1uayA-3gvcA:
28.97
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.
3ioy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Novosphingobium
aromaticivorans) 		PF00106
(adh_short) 		8 GLY A  13
ALA A  15
ASP A  37
ASP A  65
VAL A  66
ALA A  93
VAL A  95
VAL A 115
 None
 0.56A 1uayA-3ioyA:
25.6		 1uayA-3ioyA:
28.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p19 PUTATIVE BLUE
FLUORESCENT PROTEIN

(Vibrio
vulnificus) 		PF00106
(adh_short) 		6 GLY A   9
SER A  12
ASP A  53
VAL A  54
ALA A  81
VAL A 103
 NDP  A2001 ( 3.3A)
NDP  A2001 ( 2.7A)
NDP  A2001 ( 3.5A)
NDP  A2001 ( 3.6A)
NDP  A2001 ( 3.6A)
NDP  A2001 ( 4.3A)
 0.43A 1uayA-3p19A:
28.8		 1uayA-3p19A:
29.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pgx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		7 GLY A  18
ALA A  19
ASP A  81
VAL A  82
ALA A 109
VAL A 111
VAL A 131
 NAD  A 277 (-3.4A)
None
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
NAD  A 277 (-3.5A)
NAD  A 277 (-4.8A)
NAD  A 277 (-3.9A)
 1.26A 1uayA-3pgxA:
29.0		 1uayA-3pgxA:
32.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pgx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		7 GLY A  18
ALA A  20
ASP A  42
ARG A  21
ALA A 109
VAL A 111
VAL A 131
 NAD  A 277 (-3.4A)
NAD  A 277 ( 3.9A)
NAD  A 277 (-2.8A)
NAD  A 277 (-4.0A)
NAD  A 277 (-3.5A)
NAD  A 277 (-4.8A)
NAD  A 277 (-3.9A)
 1.38A 1uayA-3pgxA:
29.0		 1uayA-3pgxA:
32.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pgx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		8 GLY A  18
ALA A  20
ASP A  42
ASP A  81
VAL A  82
ALA A 109
VAL A 111
VAL A 131
 NAD  A 277 (-3.4A)
NAD  A 277 ( 3.9A)
NAD  A 277 (-2.8A)
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
NAD  A 277 (-3.5A)
NAD  A 277 (-4.8A)
NAD  A 277 (-3.9A)
 0.27A 1uayA-3pgxA:
29.0		 1uayA-3pgxA:
32.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		6 GLY A  13
ASP A  64
VAL A  65
ALA A  92
VAL A  94
VAL A 114
 None
 0.51A 1uayA-3pk0A:
29.2		 1uayA-3pk0A:
30.48
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.
3pxx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		7 GLY A  13
ALA A  15
ASP A  37
ARG A  16
VAL A  76
ALA A 103
VAL A 123
 NAD  A 284 (-3.4A)
NAD  A 284 ( 4.2A)
NAD  A 284 (-2.8A)
NAD  A 284 (-3.8A)
NAD  A 284 (-3.5A)
NAD  A 284 (-3.6A)
NAD  A 284 (-4.0A)
 1.29A 1uayA-3pxxA:
27.4		 1uayA-3pxxA:
28.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		7 GLY A  13
ALA A  15
ASP A  37
ASP A  75
VAL A  76
ALA A 103
VAL A 123
 NAD  A 284 (-3.4A)
NAD  A 284 ( 4.2A)
NAD  A 284 (-2.8A)
NAD  A 284 (-3.7A)
NAD  A 284 (-3.5A)
NAD  A 284 (-3.6A)
NAD  A 284 (-4.0A)
 0.28A 1uayA-3pxxA:
27.4		 1uayA-3pxxA:
28.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rwb PYRIDOXAL
4-DEHYDROGENASE

(Mesorhizobium
loti) 		PF13561
(adh_short_C2) 		6 GLY A  14
ALA A  16
ASP A  38
ASP A  61
ALA A  89
VAL A 111
 NAD  A 251 (-3.4A)
NAD  A 251 ( 3.7A)
NAD  A 251 (-2.7A)
NAD  A 251 (-3.8A)
NAD  A 251 (-3.5A)
NAD  A 251 ( 4.5A)
 0.32A 1uayA-3rwbA:
30.3		 1uayA-3rwbA:
30.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s55 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Mycobacteroides
abscessus) 		PF00106
(adh_short) 		6 GLY A  14
ALA A  16
ASP A  38
ASP A  76
VAL A  77
ALA A 104
 NAD  A 279 (-3.4A)
NAD  A 279 ( 4.0A)
NAD  A 279 (-2.9A)
NAD  A 279 (-3.6A)
NAD  A 279 (-3.6A)
NAD  A 279 (-3.6A)
 0.29A 1uayA-3s55A:
30.0		 1uayA-3s55A:
32.65
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.
3sx2 PUTATIVE
3-KETOACYL-(ACYL-CAR
RIER-PROTEIN)
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		7 ALA A  55
ASP A  42
LEU A  43
ASP A  80
VAL A  81
ALA A 108
VAL A 126
 NAD  A 300 (-3.3A)
NAD  A 300 (-2.9A)
NAD  A 300 (-3.8A)
NAD  A 300 (-3.6A)
NAD  A 300 (-3.6A)
NAD  A 300 (-3.5A)
NAD  A 300 (-4.1A)
 1.34A 1uayA-3sx2A:
28.6		 1uayA-3sx2A:
29.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sx2 PUTATIVE
3-KETOACYL-(ACYL-CAR
RIER-PROTEIN)
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		8 GLY A  18
ALA A  20
ASP A  42
LEU A  43
ASP A  80
VAL A  81
ALA A 108
VAL A 126
 NAD  A 300 (-3.4A)
NAD  A 300 ( 3.9A)
NAD  A 300 (-2.9A)
NAD  A 300 (-3.8A)
NAD  A 300 (-3.6A)
NAD  A 300 (-3.6A)
NAD  A 300 (-3.5A)
NAD  A 300 (-4.1A)
 0.52A 1uayA-3sx2A:
28.6		 1uayA-3sx2A:
29.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sxp ADP-L-GLYCERO-D-MANN
OHEPTOSE-6-EPIMERASE

(Helicobacter
pylori) 		PF01370
(Epimerase) 		6 GLY A  17
ALA A  19
ASP A  43
ASP A  76
ALA A  98
VAL A 100
 NAD  A2402 (-3.4A)
NAD  A2402 (-4.1A)
NAD  A2402 (-2.6A)
NAD  A2402 (-3.4A)
NAD  A2402 (-3.5A)
None
 0.51A 1uayA-3sxpA:
16.6		 1uayA-3sxpA:
24.60
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.
3t7c CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		7 GLY A  14
ALA A  16
ASP A  38
ASP A  76
VAL A  77
ALA A 104
VAL A 127
 NAD  A 279 (-3.5A)
NAD  A 279 ( 4.0A)
NAD  A 279 (-2.8A)
NAD  A 279 (-3.2A)
NAD  A 279 (-3.5A)
NAD  A 279 (-3.6A)
NAD  A 279 (-4.0A)
 0.25A 1uayA-3t7cA:
29.5		 1uayA-3t7cA:
27.12
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.
3tfo PUTATIVE
3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Sinorhizobium
meliloti) 		PF00106
(adh_short) 		7 GLY A  11
ALA A  12
ASP A  61
VAL A  62
ALA A  89
VAL A  91
VAL A 111
 None
 1.34A 1uayA-3tfoA:
26.9		 1uayA-3tfoA:
26.33
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.
3tjr SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		7 GLY A  17
ALA A  19
SER A  20
ASP A  41
ASP A  67
VAL A  68
ALA A  95
 UNL  A 281 ( 3.3A)
UNL  A 281 ( 4.1A)
UNL  A 281 ( 2.6A)
UNL  A 281 ( 2.8A)
UNL  A 281 ( 3.7A)
UNL  A 281 ( 3.6A)
UNL  A 281 ( 3.6A)
 0.52A 1uayA-3tjrA:
26.4		 1uayA-3tjrA:
26.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tl3 SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
ulcerans) 		PF00106
(adh_short) 		7 GLY A  12
ALA A  14
SER A  15
ASP A  36
ASP A  56
VAL A  57
ALA A  83
 None
 0.71A 1uayA-3tl3A:
31.9		 1uayA-3tl3A:
58.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tl3 SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
ulcerans) 		PF00106
(adh_short) 		7 GLY A  12
SER A  15
ASP A  36
ARG A  38
ASP A  56
VAL A  57
ALA A  83
 None
 0.85A 1uayA-3tl3A:
31.9		 1uayA-3tl3A:
58.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tpc SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00106
(adh_short) 		8 GLY A  14
SER A  17
ASP A  38
LEU A  39
ASP A  61
VAL A  62
ALA A  89
VAL A 115
 None
 0.48A 1uayA-3tpcA:
34.9		 1uayA-3tpcA:
59.53
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.
3tsc PUTATIVE
OXIDOREDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		6 GLY A  14
ALA A  16
ASP A  38
ASP A  77
ALA A 105
VAL A 107
 NAD  A 274 (-3.2A)
NAD  A 274 ( 3.9A)
NAD  A 274 (-2.9A)
NAD  A 274 (-3.4A)
NAD  A 274 (-3.5A)
NAD  A 274 ( 4.9A)
 0.28A 1uayA-3tscA:
28.7		 1uayA-3tscA:
29.68
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.
3tzq SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
marinum) 		no annotation 6 GLY B  14
ASP B  38
LEU B  39
ASP B  61
ALA B  89
VAL B 113
 None
 0.50A 1uayA-3tzqB:
29.0		 1uayA-3tzqB:
27.27
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.
3u0b OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		7 GLY A 216
ALA A 218
ASP A 240
ASP A 263
VAL A 264
ALA A 292
VAL A 314
 None
 0.51A 1uayA-3u0bA:
22.3		 1uayA-3u0bA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uve CARVEOL
DEHYDROGENASE
((+)-TRANS-CARVEOL
DEHYDROGENASE)

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		6 GLY A  14
ALA A  16
ASP A  38
ASP A  80
VAL A  81
ALA A 108
 NAD  A 300 (-3.4A)
NAD  A 300 ( 3.8A)
NAD  A 300 (-2.8A)
NAD  A 300 (-3.4A)
NAD  A 300 (-3.6A)
NAD  A 300 (-3.6A)
 0.23A 1uayA-3uveA:
29.2		 1uayA-3uveA:
25.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uxy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		7 GLY A  13
ALA A  15
ASP A  37
ASP A  52
ALA A  80
VAL A  82
VAL A 102
 None
 0.78A 1uayA-3uxyA:
28.7		 1uayA-3uxyA:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vtz GLUCOSE
1-DEHYDROGENASE

(Thermoplasma
volcanium) 		PF13561
(adh_short_C2) 		6 GLY A  13
LEU A  38
ASP A  53
VAL A  54
ALA A  81
VAL A 103
 None
 0.39A 1uayA-3vtzA:
29.5		 1uayA-3vtzA:
30.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wye DIACETYL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING]

(Corynebacterium
glutamicum;
Klebsiella
pneumoniae) 		PF13561
(adh_short_C2) 		6 GLY A   9
ASP A  33
ASP A  59
VAL A  60
ALA A  87
VAL A 109
 NAD  A 301 (-3.3A)
NAD  A 301 (-2.8A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.5A)
NAD  A 301 ( 3.7A)
NAD  A 301 ( 4.3A)
 0.28A 1uayA-3wyeA:
31.6		 1uayA-3wyeA:
30.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8

(Homo sapiens) 		PF13561
(adh_short_C2) 		7 GLY A  18
ASP A  42
LEU A  43
ASP A  75
VAL A  76
ALA A 104
VAL A 126
 NAD  A 301 (-3.6A)
NAD  A 301 (-2.4A)
NAD  A 301 (-4.0A)
NAD  A 301 (-3.4A)
NAD  A 301 (-3.6A)
NAD  A 301 ( 3.7A)
NAD  A 301 (-3.8A)
 0.53A 1uayA-4cqlA:
31.4		 1uayA-4cqlA:
36.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8

(Homo sapiens) 		PF13561
(adh_short_C2) 		7 GLY A  18
SER A  21
ASP A  42
LEU A  43
ASP A  75
VAL A  76
VAL A 126
 NAD  A 301 (-3.6A)
NAD  A 301 (-3.1A)
NAD  A 301 (-2.4A)
NAD  A 301 (-4.0A)
NAD  A 301 (-3.4A)
NAD  A 301 (-3.6A)
NAD  A 301 (-3.8A)
 0.69A 1uayA-4cqlA:
31.4		 1uayA-4cqlA:
36.40
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.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		7 GLY A  34
SER A  37
ASP A  58
ASP A  81
VAL A  82
ALA A 109
VAL A 131
 None
 0.41A 1uayA-4dqxA:
29.9		 1uayA-4dqxA:
29.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fn4 SHORT CHAIN
DEHYDROGENASE

(Sulfolobus
acidocaldarius) 		PF13561
(adh_short_C2) 		7 GLY A  15
SER A  18
LEU A  40
ASP A  65
VAL A  66
ALA A  93
VAL A 116
 NAD  A 501 (-3.2A)
NAD  A 501 (-2.7A)
NAD  A 501 (-3.8A)
NAD  A 501 (-3.6A)
NAD  A 501 (-3.6A)
NAD  A 501 (-3.8A)
NAD  A 501 ( 4.1A)
 0.60A 1uayA-4fn4A:
28.3		 1uayA-4fn4A:
31.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		7 GLY A  14
ASP A  38
LEU A  39
ASP A  64
VAL A  65
ALA A  92
VAL A 114
 NAI  A 301 (-3.3A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.9A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
NAI  A 301 ( 3.7A)
NAI  A 301 (-4.0A)
 0.53A 1uayA-4ituA:
30.6		 1uayA-4ituA:
30.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kzp OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF00106
(adh_short) 		6 GLY A  29
ALA A  31
ASP A  53
ASP A  80
ALA A 107
VAL A 129
 GOL  A 407 (-3.3A)
None
GOL  A 407 (-3.1A)
EDO  A 401 (-3.1A)
GOL  A 407 (-3.8A)
None
 0.49A 1uayA-4kzpA:
26.4		 1uayA-4kzpA:
27.78
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.
4lis UDP-GLUCOSE
4-EPIMERASE

(Aspergillus
nidulans) 		PF16363
(GDP_Man_Dehyd) 		6 GLY A  10
ASP A  34
ASP A  61
VAL A  62
ALA A  85
VAL A 103
 NAD  A 402 ( 3.8A)
NAD  A 402 (-2.5A)
NAD  A 402 (-3.1A)
NAD  A 402 (-3.8A)
NAD  A 402 (-3.9A)
NAD  A 402 ( 4.5A)
 0.44A 1uayA-4lisA:
17.5		 1uayA-4lisA:
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.
4lk3 UDP-GLUCURONIC ACID
DECARBOXYLASE 1

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		6 GLY A  95
ALA A  97
ASP A 119
ASP A 144
VAL A 145
ALA A 160
 NAD  A 501 (-3.3A)
NAD  A 501 (-4.7A)
NAD  A 501 (-3.1A)
NAD  A 501 (-3.1A)
NAD  A 501 (-3.6A)
NAD  A 501 (-3.9A)
 0.37A 1uayA-4lk3A:
15.3		 1uayA-4lk3A:
25.43
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.
4lvu OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Burkholderia
thailandensis) 		PF13561
(adh_short_C2) 		6 GLY A  36
ALA A  38
ASP A  60
LEU A  61
ALA A 114
VAL A 136
 None
 0.56A 1uayA-4lvuA:
27.3		 1uayA-4lvuA:
29.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nbr HYPOTHETICAL
3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		7 GLY A  26
ALA A  28
ASP A  50
ASP A  77
VAL A  78
ALA A 102
VAL A 129
 None
 0.55A 1uayA-4nbrA:
27.7		 1uayA-4nbrA:
33.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nbr HYPOTHETICAL
3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		7 GLY A  26
ALA A  28
ASP A  50
LEU A  51
ASP A  77
VAL A  78
VAL A 129
 None
 0.64A 1uayA-4nbrA:
27.7		 1uayA-4nbrA:
33.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nbt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Acholeplasma
laidlawii) 		PF13561
(adh_short_C2) 		7 GLY A  13
ALA A  15
ASP A  37
LEU A  38
VAL A  55
ALA A  82
VAL A 104
 NAD  A 301 (-3.0A)
NAD  A 301 ( 3.9A)
NAD  A 301 (-2.5A)
NAD  A 301 (-4.4A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.6A)
NAD  A 301 ( 3.7A)
 0.41A 1uayA-4nbtA:
30.4		 1uayA-4nbtA:
35.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus sp.
SG-1) 		PF13561
(adh_short_C2) 		7 GLY A  20
ALA A  22
ASP A  44
ASP A  66
VAL A  67
ALA A  94
VAL A 116
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.2A)
NAI  A 301 (-2.9A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.7A)
NAI  A 301 (-3.7A)
NAI  A 301 ( 4.2A)
 0.33A 1uayA-4nbuA:
31.9		 1uayA-4nbuA:
35.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nbv 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE PUTATIVE
SHORT-CHAIN
DEHYDROGENASES/REDUC
TASES (SDR) FAMILY
PROTEIN

(Cupriavidus
taiwanensis) 		PF13561
(adh_short_C2) 		7 GLY A  12
ALA A  14
ASP A  36
ASP A  62
VAL A  63
ALA A  90
VAL A 112
 None
 0.43A 1uayA-4nbvA:
30.4		 1uayA-4nbvA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Plesiocystis
pacifica) 		PF13561
(adh_short_C2) 		8 GLY A  19
ALA A  21
ASP A  43
LEU A  44
ASP A  69
VAL A  70
ALA A  97
VAL A 128
 NAD  A 301 (-3.2A)
NAD  A 301 ( 3.7A)
NAD  A 301 (-2.4A)
NAD  A 301 (-4.3A)
NAD  A 301 (-3.0A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.8A)
NAD  A 301 (-3.9A)
 0.35A 1uayA-4nbwA:
31.2		 1uayA-4nbwA:
35.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ni5 OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Brucella suis) 		PF13561
(adh_short_C2) 		7 GLY A  12
ALA A  14
SER A  15
ASP A  36
ASP A  61
VAL A  62
ALA A  89
 None
 0.41A 1uayA-4ni5A:
31.5		 1uayA-4ni5A:
33.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4npc SORBITOL
DEHYDROGENASE

(Brucella suis) 		PF13561
(adh_short_C2) 		8 GLY A  23
ALA A  25
SER A  26
ASP A  47
ASP A  70
VAL A  71
ALA A  98
VAL A 100
 None
 0.70A 1uayA-4npcA:
31.0		 1uayA-4npcA:
31.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pn3 3-HYDROXYACYL-COA
DEHYDROGENASE

(Brucella
melitensis) 		PF00106
(adh_short) 		7 GLY A  12
SER A  15
ASP A  36
ASP A  59
VAL A  60
ALA A  87
VAL A  89
 None
 0.56A 1uayA-4pn3A:
35.9		 1uayA-4pn3A:
54.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgb CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		7 GLY A  27
ALA A  29
ASP A  51
ASP A  89
VAL A  90
ALA A 117
VAL A 119
 NAD  A 301 (-3.5A)
NAD  A 301 (-3.5A)
NAD  A 301 (-2.7A)
NAD  A 301 (-3.2A)
NAD  A 301 (-3.6A)
NAD  A 301 (-3.5A)
NAD  A 301 (-4.8A)
 0.46A 1uayA-4rgbA:
28.0		 1uayA-4rgbA:
26.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rzi 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Synechocystis
sp. PCC 6803) 		no annotation 6 GLY B  15
ASP B  39
LEU B  40
VAL B  56
ALA B  83
VAL B 105
 None
 0.48A 1uayA-4rziB:
30.9		 1uayA-4rziB:
31.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4trr PUTATIVE
D-BETA-HYDROXYBUTYRA
TE DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		7 GLY A  13
ALA A  15
SER A  16
ASP A  37
LEU A  38
ASP A  63
VAL A  64
 None
 0.62A 1uayA-4trrA:
28.6		 1uayA-4trrA:
27.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		6 GLY A  16
ALA A  18
ASP A  40
ASP A  61
VAL A  62
ALA A  89
 NAD  A 301 (-3.1A)
NAD  A 301 (-3.4A)
NAD  A 301 (-1.6A)
NAD  A 301 (-3.9A)
NAD  A 301 (-3.5A)
NAD  A 301 ( 4.0A)
 0.44A 1uayA-4wecA:
29.1		 1uayA-4wecA:
34.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		6 GLY A  16
ALA A  18
SER A  19
ASP A  40
VAL A  62
ALA A  89
 NAD  A 301 (-3.1A)
NAD  A 301 (-3.4A)
NAD  A 301 (-2.9A)
NAD  A 301 (-1.6A)
NAD  A 301 (-3.5A)
NAD  A 301 ( 4.0A)
 0.57A 1uayA-4wecA:
29.1		 1uayA-4wecA:
34.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4weo PUTATIVE
ACETOIN(DIACETYL)
REDUCTASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		9 GLY A  14
ALA A  16
ASP A  38
LEU A  39
ASP A  64
VAL A  65
ALA A  92
VAL A  94
VAL A 114
 None
 0.60A 1uayA-4weoA:
31.4		 1uayA-4weoA:
31.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xgn 3-HYDROXYACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00106
(adh_short) 		9 GLY A  12
ALA A  14
SER A  15
ASP A  36
LEU A  37
ASP A  57
VAL A  58
ALA A  84
VAL A 110
 NAD  A 300 (-3.5A)
NAD  A 300 ( 4.0A)
NAD  A 300 (-2.5A)
NAD  A 300 (-2.7A)
NAD  A 300 (-4.2A)
NAD  A 300 (-3.5A)
NAD  A 300 (-3.6A)
NAD  A 300 (-3.4A)
NAD  A 300 ( 4.1A)
 0.36A 1uayA-4xgnA:
37.7		 1uayA-4xgnA:
54.23
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.
4y9d C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		8 GLY A  13
ALA A  15
SER A  16
ASP A  37
ASP A  63
ALA A  92
VAL A  94
VAL A 114
 NAI  A 401 (-2.9A)
NAI  A 401 ( 4.3A)
NAI  A 401 (-2.9A)
NAI  A 401 (-2.6A)
NAI  A 401 (-2.6A)
NAI  A 401 (-3.6A)
NAI  A 401 (-4.5A)
NAI  A 401 ( 4.5A)
 0.55A 1uayA-4y9dA:
25.5		 1uayA-4y9dA:
27.94
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.
4yac C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		7 GLY A  13
SER A  16
ASP A  38
ASP A  64
ALA A  92
VAL A  94
VAL A 114
 NAI  A 500 (-3.4A)
NAI  A 500 (-3.0A)
NAI  A 500 (-2.6A)
NAI  A 500 (-3.6A)
NAI  A 500 ( 4.1A)
NAI  A 500 ( 4.7A)
NAI  A 500 (-3.7A)
 0.64A 1uayA-4yacA:
25.5		 1uayA-4yacA:
28.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yai C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		7 GLY A  12
ALA A  14
SER A  15
ASP A  36
ASP A  64
VAL A  65
ALA A  92
 NAI  A 500 (-2.8A)
NAI  A 500 ( 4.2A)
NAI  A 500 (-2.6A)
NAI  A 500 (-2.2A)
NAI  A 500 (-3.0A)
NAI  A 500 (-3.7A)
NAI  A 500 (-3.7A)
 0.66A 1uayA-4yaiA:
25.7		 1uayA-4yaiA:
28.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b1y 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Aeropyrum
pernix) 		PF13561
(adh_short_C2) 		7 GLY A  10
SER A  12
ASP A  62
VAL A  63
ALA A  90
VAL A  92
VAL A 112
 NDP  A 300 (-3.5A)
NDP  A 300 (-3.6A)
NDP  A 300 (-4.3A)
NDP  A 300 (-3.1A)
NDP  A 300 (-3.4A)
None
None
 1.25A 1uayA-5b1yA:
27.3		 1uayA-5b1yA:
32.99
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.
5ej2 CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		7 GLY A  22
ALA A  24
ASP A  46
ASP A  84
VAL A  85
ALA A 112
VAL A 114
 NAD  A 300 (-3.5A)
NAD  A 300 ( 3.8A)
NAD  A 300 (-2.7A)
NAD  A 300 (-3.3A)
NAD  A 300 (-3.6A)
NAD  A 300 (-3.6A)
NAD  A 300 (-4.8A)
 0.28A 1uayA-5ej2A:
29.4		 1uayA-5ej2A:
25.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f1p PTMO8

(Streptomyces
platensis) 		PF13561
(adh_short_C2) 		7 GLY A  13
ALA A  15
SER A  16
ASP A  37
LEU A  38
ASP A  64
VAL A 119
 None
 0.57A 1uayA-5f1pA:
26.1		 1uayA-5f1pA:
32.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h5x PUTATIVE
OXIDOREDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		6 GLY A  26
ALA A  28
ASP A  50
ASP A  76
VAL A  77
ALA A 104
 NAI  A 301 (-3.3A)
NAI  A 301 ( 3.8A)
NAI  A 301 (-2.9A)
NAI  A 301 (-4.0A)
NAI  A 301 (-3.7A)
NAI  A 301 (-3.6A)
 0.46A 1uayA-5h5xA:
30.8		 1uayA-5h5xA:
38.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		7 GLY A  21
ALA A  22
ASP A  71
VAL A  72
ALA A  99
VAL A 101
VAL A 122
 None
 1.35A 1uayA-5ha5A:
27.9		 1uayA-5ha5A:
33.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		7 GLY A  21
ASP A  45
ASP A  71
VAL A  72
ALA A  99
VAL A 101
VAL A 122
 None
 0.60A 1uayA-5ha5A:
27.9		 1uayA-5ha5A:
33.09
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.
5ig2 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		PF00106
(adh_short) 		7 GLY A  13
ALA A  14
ASP A  63
VAL A  64
ALA A  91
VAL A  93
VAL A 113
 NAD  A 301 (-3.4A)
None
NAD  A 301 (-3.7A)
NAD  A 301 (-3.5A)
NAD  A 301 (-3.4A)
None
NAD  A 301 (-4.1A)
 1.31A 1uayA-5ig2A:
25.6		 1uayA-5ig2A:
28.66
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.
5ig2 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		PF00106
(adh_short) 		7 GLY A  13
ASP A  37
ASP A  63
VAL A  64
ALA A  91
VAL A  93
VAL A 113
 NAD  A 301 (-3.4A)
NAD  A 301 (-2.9A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.5A)
NAD  A 301 (-3.4A)
None
NAD  A 301 (-4.1A)
 0.44A 1uayA-5ig2A:
25.6		 1uayA-5ig2A:
28.66
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.
5ig2 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		PF00106
(adh_short) 		7 GLY A  13
SER A  16
ASP A  37
VAL A  64
ALA A  91
VAL A  93
VAL A 113
 NAD  A 301 (-3.4A)
NAD  A 301 (-2.6A)
NAD  A 301 (-2.9A)
NAD  A 301 (-3.5A)
NAD  A 301 (-3.4A)
None
NAD  A 301 (-4.1A)
 0.55A 1uayA-5ig2A:
25.6		 1uayA-5ig2A:
28.66
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.
5ilg PHOTORECEPTOR
DEHYDROGENASE,
ISOFORM C

(Drosophila
melanogaster) 		PF00106
(adh_short) 		8 GLY A  12
ALA A  14
ASP A  37
LEU A  38
ASP A  63
VAL A  64
ALA A  91
VAL A 105
 NAD  A 302 (-3.2A)
EDO  A 306 (-3.6A)
NAD  A 302 ( 2.9A)
NAD  A 302 (-4.2A)
NAD  A 302 (-3.6A)
NAD  A 302 (-3.6A)
NAD  A 302 (-3.9A)
NAD  A 302 (-3.9A)
 0.35A 1uayA-5ilgA:
25.0		 1uayA-5ilgA:
26.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE

(Bacillus
subtilis) 		PF13561
(adh_short_C2) 		7 GLY A  14
ALA A  16
SER A  17
ASP A  38
ASP A  62
ALA A  90
VAL A 112
 None
None
SO4  A 302 (-4.1A)
None
None
None
None
 0.64A 1uayA-5itwA:
30.8		 1uayA-5itwA:
34.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5iz4 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		7 GLY A  13
ALA A  15
SER A  16
ASP A  66
VAL A  67
ALA A  94
VAL A 119
 ADP  A 300 (-3.6A)
ADP  A 300 ( 3.9A)
ADP  A 300 (-2.5A)
ADP  A 300 (-3.5A)
ADP  A 300 (-3.8A)
ADP  A 300 (-3.5A)
ADP  A 300 (-4.1A)
 0.39A 1uayA-5iz4A:
29.1		 1uayA-5iz4A:
31.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jla PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		7 GLY A  16
SER A  19
ASP A  40
ASP A  61
VAL A  62
ALA A  89
VAL A  91
 NAD  A 401 (-3.5A)
NAD  A 401 (-2.7A)
NAD  A 401 (-2.9A)
NAD  A 401 (-3.7A)
NAD  A 401 (-3.6A)
NAD  A 401 (-3.6A)
None
 0.65A 1uayA-5jlaA:
30.5		 1uayA-5jlaA:
31.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5k9z PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		7 GLY A  22
ALA A  24
SER A  25
ASP A  46
ASP A  68
VAL A  69
VAL A 119
 None
 0.40A 1uayA-5k9zA:
28.5		 1uayA-5k9zA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5k9z PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		7 GLY A  22
SER A  25
ASP A  46
ASP A  68
VAL A  69
ALA A  96
VAL A 119
 None
 0.89A 1uayA-5k9zA:
28.5		 1uayA-5k9zA:
33.33
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.
5unl 3-KETOACYL-ACP
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		7 GLY A  19
ALA A  21
SER A  22
ASP A  43
ASP A  67
VAL A  68
ALA A  95
 None
 0.85A 1uayA-5unlA:
29.9		 1uayA-5unlA:
29.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y1g NAD DEPENDENT
EPIMERASE/DEHYDRATAS
E FAMILY

(uncultured
archaeon
MedDCM-OCT-S05-C57) 		no annotation 6 GLY A   6
ASP A  32
LEU A  33
ASP A  47
ALA A  70
VAL A  87
 NAD  A 402 (-3.6A)
NAD  A 402 (-2.8A)
NAD  A 402 (-4.3A)
NAD  A 402 (-3.0A)
NAD  A 402 (-3.7A)
NAD  A 402 (-4.3A)
 0.31A 1uayA-5y1gA:
17.1		 1uayA-5y1gA:
23.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		no annotation 6 GLY A  13
SER A  16
ASP A  37
ASP A  60
ALA A  88
VAL A 111
 NAI  A 301 (-3.1A)
NAI  A 301 (-2.5A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.7A)
NAI  A 301 (-4.2A)
 0.55A 1uayA-6b9uA:
30.6		 1uayA-6b9uA:
32.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d9y SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		no annotation 7 GLY A  15
ALA A  17
ASP A  39
LEU A  40
ASP A  64
ALA A  92
VAL A 115
 None
 0.51A 1uayA-6d9yA:
29.9		 1uayA-6d9yA:
16.73