SIMILAR PATTERNS OF AMINO ACIDS FOR 2BM9_E_SAME301

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.
1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 GLY A  18
ASP A  42
ASP A  68
ASN A  95
ALA A  96
 NAI  A 302 (-3.6A)
NAI  A 302 (-2.6A)
NAI  A 302 (-3.6A)
NAI  A 302 (-3.8A)
NAI  A 302 ( 4.3A)
 1.03A 2bm9E-1ahiA:
5.9		 2bm9E-1ahiA:
19.26
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.
1bdb CIS-BIPHENYL-2,3-DIH
YDRODIOL-2,3-DEHYDRO
GENASE

(Pseudomonas sp.) 		PF00106
(adh_short) 		6 GLY A  12
ASP A  36
ARG A  41
ASP A  59
ASN A  86
ALA A  87
 NAD  A 300 (-3.3A)
NAD  A 300 (-2.7A)
NAD  A 300 (-4.0A)
NAD  A 300 (-3.2A)
NAD  A 300 (-3.4A)
NAD  A 300 ( 3.8A)
 1.01A 2bm9E-1bdbA:
5.1		 2bm9E-1bdbA:
21.58
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.
1geg ACETOIN REDUCTASE

(Klebsiella
pneumoniae) 		PF00106
(adh_short) 		5 GLY A   9
ASP A  33
ASP A  59
ASN A  86
ALA A  87
 NAD  A2001 (-3.5A)
NAD  A2001 (-2.8A)
NAD  A2001 (-3.6A)
NAD  A2001 (-3.4A)
NAD  A2001 (-3.6A)
 0.96A 2bm9E-1gegA:
5.2		 2bm9E-1gegA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ipf TROPINONE
REDUCTASE-II

(Datura
stramonium) 		PF13561
(adh_short_C2) 		5 GLY A  16
ARG A  41
ASP A  66
ASN A  94
ALA A  95
 NDP  A 261 (-3.4A)
NDP  A 261 (-3.6A)
NDP  A 261 (-4.1A)
NDP  A 261 (-3.3A)
NDP  A 261 (-4.0A)
 1.02A 2bm9E-1ipfA:
5.9		 2bm9E-1ipfA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 LEU A 511
LEU A 458
GLY A 538
ALA A 467
ALA A 471
 None
 0.99A 2bm9E-1itkA:
undetectable		 2bm9E-1itkA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		5 GLY A  20
ASP A  44
ASP A  72
ASN A  99
ALA A 100
 NAD  A1268 (-3.4A)
NAD  A1268 (-2.7A)
NAD  A1268 (-3.5A)
NAD  A1268 (-3.3A)
NAD  A1268 ( 3.7A)
 0.91A 2bm9E-1iy8A:
5.7		 2bm9E-1iy8A:
22.87
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.
1jjo NEUROSERPIN

(Mus musculus) 		PF00079
(Serpin) 		5 LEU C 288
GLU C 343
GLY C 344
ASN C 341
ALA C 347
 None
 0.93A 2bm9E-1jjoC:
undetectable		 2bm9E-1jjoC:
21.75
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.
1k2w SORBITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 GLY A  12
ASP A  36
ASP A  59
ASN A  86
ALA A  87
 None
 0.91A 2bm9E-1k2wA:
4.9		 2bm9E-1k2wA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nff PUTATIVE
OXIDOREDUCTASE
RV2002

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLY A  14
ASP A  38
ASP A  61
ASN A  88
ALA A  89
 NAD  A1300 (-3.5A)
NAD  A1300 (-2.8A)
NAD  A1300 (-3.9A)
NAD  A1300 (-3.3A)
NAD  A1300 (-3.6A)
 0.93A 2bm9E-1nffA:
5.7		 2bm9E-1nffA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pc3 PHOSPHATE-BINDING
PROTEIN 1

(Mycobacterium
tuberculosis) 		PF12849
(PBP_like_2) 		5 LEU A 309
LEU A  30
GLY A  80
ALA A  72
ALA A  73
 None
 0.93A 2bm9E-1pc3A:
undetectable		 2bm9E-1pc3A:
19.43
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.
1rt8 FIMBRIN

(Schizosaccharomyces
pombe) 		PF00307
(CH) 		5 LEU A 549
GLY A 542
ASP A 595
ASN A 574
ALA A 575
 None
 0.99A 2bm9E-1rt8A:
undetectable		 2bm9E-1rt8A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uzn 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		6 GLY A  22
ARG A  47
ASP A  61
ASN A  88
ALA A  89
ALA A 111
 NAP  A1249 (-3.2A)
NAP  A1249 (-3.6A)
NAP  A1249 (-3.7A)
None
NAP  A1249 (-3.7A)
NAP  A1249 (-3.6A)
 1.18A 2bm9E-1uznA:
5.2		 2bm9E-1uznA:
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.
1xhl SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY MEMBER
(5L265), PUTATIVE
TROPINONE
REDUCTASE-II

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		5 GLY A  13
ARG A  38
ASP A  66
ASN A  93
ALA A  94
 NDP  A1278 (-3.1A)
NDP  A1278 (-3.6A)
NDP  A1278 (-3.4A)
NDP  A1278 (-3.9A)
NDP  A1278 (-3.9A)
 0.99A 2bm9E-1xhlA:
5.3		 2bm9E-1xhlA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkq SHORT-CHAIN
REDUCTASE FAMILY
MEMBER (5D234)

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		6 GLY A  13
ARG A  38
ARG A  42
ASP A  66
ASN A  93
ALA A  94
 NDP  A1281 (-2.9A)
NDP  A1281 (-3.8A)
NDP  A1281 (-2.7A)
NDP  A1281 (-3.6A)
NDP  A1281 (-4.2A)
NDP  A1281 (-3.7A)
 1.16A 2bm9E-1xkqA:
5.7		 2bm9E-1xkqA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yb1 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE
TYPE XI

(Homo sapiens) 		PF00106
(adh_short) 		6 GLY A  38
ASP A  62
ASP A  88
CYH A  89
ASN A 115
ALA A 116
 CL  A 402 ( 3.7A)
CL  A 402 (-3.6A)
CL  A 405 ( 4.9A)
CL  A 405 (-4.6A)
SO4  A 702 ( 4.7A)
CL  A 402 ( 4.1A)
 1.00A 2bm9E-1yb1A:
5.6		 2bm9E-1yb1A:
18.86
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.
1zem XYLITOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 GLY A  14
ASP A  38
ASP A  64
ASN A  91
ALA A  92
 NAD  A2263 (-3.2A)
NAD  A2263 (-2.6A)
NAD  A2263 (-3.7A)
NAD  A2263 (-3.2A)
NAD  A2263 (-3.6A)
 0.94A 2bm9E-1zemA:
5.2		 2bm9E-1zemA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
brevis) 		PF13561
(adh_short_C2) 		6 GLY A  13
ASP A  37
ARG A  38
ASP A  62
ASN A  89
ALA A  90
 NAI  A1270 (-2.9A)
NAI  A1270 (-2.9A)
NAI  A1270 (-4.6A)
NAI  A1270 (-3.1A)
NAI  A1270 (-3.0A)
NAI  A1270 (-3.2A)
 1.18A 2bm9E-1zjyA:
5.6		 2bm9E-1zjyA:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		10 LEU A  18
LEU A  64
GLU A  87
GLY A  89
ASP A 116
ARG A 117
ARG A 121
ASP A 138
ALA A 161
ALA A 163
 SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
 0.45A 2bm9E-2br4A:
34.4		 2bm9E-2br4A:
99.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		10 LEU A  18
LEU A  64
GLU A  87
GLY A  89
ASP A 116
ARG A 117
ASP A 138
CYH A 139
ALA A 161
ALA A 163
 SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
 0.57A 2bm9E-2br4A:
34.4		 2bm9E-2br4A:
99.15
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.
2cfc 2-(R)-HYDROXYPROPYL-
COM DEHYDROGENASE

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 GLY A   9
ASP A  33
ASP A  60
ASN A  87
ALA A  88
 NAD  A1251 (-3.5A)
NAD  A1251 (-2.7A)
NAD  A1251 (-3.4A)
NAD  A1251 (-2.8A)
NAD  A1251 (-3.6A)
 0.96A 2bm9E-2cfcA:
5.9		 2bm9E-2cfcA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d1y HYPOTHETICAL PROTEIN
TT0321

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 GLY A  13
ASP A  37
ASP A  57
ASN A  84
ALA A  85
 NAD  A1001 (-3.5A)
NAD  A1001 (-2.8A)
NAD  A1001 (-4.3A)
NAD  A1001 (-3.3A)
NAD  A1001 (-3.6A)
 0.99A 2bm9E-2d1yA:
5.6		 2bm9E-2d1yA:
22.74
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.
2et6 (3R)-HYDROXYACYL-COA
DEHYDROGENASE

(Candida
tropicalis) 		PF00106
(adh_short) 		6 LEU A 334
GLY A 329
ASP A 353
ASP A 377
ASN A 402
ALA A 403
 None
 1.26A 2bm9E-2et6A:
3.9		 2bm9E-2et6A:
15.95
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.
2ewm (S)-1-PHENYLETHANOL
DEHYDROGENASE

(Azoarcus) 		PF13561
(adh_short_C2) 		5 GLY A  14
ASP A  38
ASP A  62
ASN A  89
ALA A  90
 NAD  A 257 (-3.3A)
NAD  A 257 (-2.8A)
NAD  A 257 (-3.5A)
NAD  A 257 (-3.8A)
NAD  A 257 ( 4.0A)
 0.92A 2bm9E-2ewmA:
5.1		 2bm9E-2ewmA:
25.38
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.
2gdz NAD+-DEPENDENT
15-HYDROXYPROSTAGLAN
DIN DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A  12
ASP A  36
ASP A  64
ASN A  91
ALA A  92
 NAD  A 300 (-3.3A)
NAD  A 300 (-2.8A)
NAD  A 300 (-3.8A)
NAD  A 300 (-3.2A)
NAD  A 300 (-3.6A)
 0.96A 2bm9E-2gdzA:
6.1		 2bm9E-2gdzA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hsd 3-ALPHA, 20
BETA-HYDROXYSTEROID
DEHYDROGENASE

(Streptomyces
exfoliatus) 		PF13561
(adh_short_C2) 		5 GLY A  13
ASP A  37
ASP A  60
ASN A  87
ALA A  88
 NAD  A 256 (-3.2A)
NAD  A 256 (-2.7A)
NAD  A 256 (-4.2A)
NAD  A 256 (-3.2A)
NAD  A 256 (-3.2A)
 0.89A 2bm9E-2hsdA:
6.1		 2bm9E-2hsdA:
23.83
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.
2jah CLAVULANIC ACID
DEHYDROGENASE

(Streptomyces
clavuligerus) 		PF00106
(adh_short) 		5 GLY A  14
ARG A  39
ASP A  64
ASN A  91
ALA A  92
 NDP  A1248 (-3.3A)
NDP  A1248 (-3.4A)
NDP  A1248 (-3.8A)
NDP  A1248 (-3.2A)
NDP  A1248 (-3.5A)
 0.99A 2bm9E-2jahA:
6.0		 2bm9E-2jahA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rek PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 LEU A  74
LEU A 132
GLY A 102
ARG A  70
ALA A  99
 None
 1.03A 2bm9E-2rekA:
undetectable		 2bm9E-2rekA:
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.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 GLY A  18
ASP A  42
ARG A  43
ASP A  66
ALA A  93
 NAD  A 500 (-3.3A)
NAD  A 500 (-2.8A)
NAD  A 500 (-3.4A)
NAD  A 500 (-3.6A)
NAD  A 500 (-3.6A)
 0.62A 2bm9E-2wsbA:
5.1		 2bm9E-2wsbA:
22.38
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.
2y93 CIS-2,3-DIHYDROBIPHE
NYL-2,3-DIOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF00106
(adh_short) 		6 GLY A  12
ASP A  36
ARG A  41
ASP A  59
ASN A  86
ALA A  87
 None
 1.16A 2bm9E-2y93A:
4.8		 2bm9E-2y93A:
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.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY C   9
ASP C  33
ASP C  61
ASN C  88
ALA C  89
 NAD  C4300 (-3.6A)
NAD  C4300 (-3.0A)
NAD  C4300 (-3.7A)
NAD  C4300 (-3.5A)
NAD  C4300 ( 3.8A)
 0.90A 2bm9E-3a28C:
5.4		 2bm9E-3a28C:
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.
3ai2 NADPH-SORBOSE
REDUCTASE

(Gluconobacter
frateurii) 		PF13561
(adh_short_C2) 		5 GLY A  14
ARG A  39
ASP A  65
ASN A  92
ALA A  93
 NDP  A 270 (-2.9A)
NDP  A 270 (-3.6A)
NDP  A 270 (-3.6A)
NDP  A 270 (-3.2A)
NDP  A 270 ( 3.8A)
 0.97A 2bm9E-3ai2A:
2.3		 2bm9E-3ai2A:
23.30
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.
3ak4 NADH-DEPENDENT
QUINUCLIDINONE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF13561
(adh_short_C2) 		5 GLY A  16
ASP A  40
ASP A  63
ASN A  90
ALA A  91
 NAD  A 901 (-3.6A)
NAD  A 901 (-2.8A)
NAD  A 901 (-3.8A)
NAD  A 901 (-3.6A)
NAD  A 901 ( 3.7A)
 0.94A 2bm9E-3ak4A:
5.4		 2bm9E-3ak4A:
21.17
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.
3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2

(Capra hircus) 		PF00042
(Globin) 		5 LEU A 113
GLY A  18
ASN A  20
ALA A  21
ALA A  63
 None
 0.91A 2bm9E-3d1aA:
undetectable		 2bm9E-3d1aA:
19.50
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.
3e39 PUTATIVE
NITROREDUCTASE

(Desulfovibrio
alaskensis) 		PF00881
(Nitroreductase) 		5 GLY A  37
CYH A  49
ASN A 106
ALA A 103
ALA A 100
 None
 0.81A 2bm9E-3e39A:
undetectable		 2bm9E-3e39A:
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.
3f1k UNCHARACTERIZED
OXIDOREDUCTASE YCIK

(Escherichia
coli) 		PF00106
(adh_short) 		5 GLY A  19
ARG A  44
ASP A  70
ASN A  99
ALA A 100
 NAP  A 300 (-3.6A)
NAP  A 300 (-3.5A)
NAP  A 300 (-3.7A)
NAP  A 300 (-3.1A)
NAP  A 300 (-3.9A)
 1.01A 2bm9E-3f1kA:
5.6		 2bm9E-3f1kA:
21.79
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLY A  36
ASP A  60
ASP A  83
ASN A 110
ALA A 111
 None
 0.99A 2bm9E-3gvcA:
5.5		 2bm9E-3gvcA:
21.58
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.
3iah SHORT CHAIN
DEHYDROGENASE YCIK

(Salmonella
enterica) 		PF00106
(adh_short) 		5 GLY A  19
ARG A  44
ASP A  70
ASN A  99
ALA A 100
 NAP  A 254 (-3.2A)
NAP  A 254 (-3.6A)
NAP  A 254 (-3.7A)
NAP  A 254 (-3.3A)
NAP  A 254 (-3.8A)
 1.02A 2bm9E-3iahA:
5.6		 2bm9E-3iahA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ioy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Novosphingobium
aromaticivorans) 		PF00106
(adh_short) 		5 GLY A  13
ASP A  37
ASP A  65
ASN A  92
ALA A  93
 None
 0.95A 2bm9E-3ioyA:
6.1		 2bm9E-3ioyA:
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.
3l77 SHORT-CHAIN ALCOHOL
DEHYDROGENASE

(Thermococcus
sibiricus) 		PF00106
(adh_short) 		5 GLY A   8
ARG A  33
ASP A  59
ASN A  86
ALA A  87
 NJP  A 501 (-3.3A)
NJP  A 501 (-3.5A)
NJP  A 501 (-3.6A)
NJP  A 501 (-3.3A)
NJP  A 501 (-3.5A)
 0.99A 2bm9E-3l77A:
5.9		 2bm9E-3l77A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 LEU A 335
LEU A 339
GLY A 321
ALA A 294
ALA A 273
 None
 0.99A 2bm9E-3lscA:
undetectable		 2bm9E-3lscA:
18.42
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.
3nuz PUTATIVE ACETYL
XYLAN ESTERASE

(Bacteroides
fragilis) 		PF12715
(Abhydrolase_7) 		5 LEU A 153
GLY A 147
ASN A 149
ALA A 193
ALA A 192
 None
 0.96A 2bm9E-3nuzA:
2.4		 2bm9E-3nuzA:
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.
3o03 DEHYDROGENASE WITH
DIFFERENT
SPECIFICITIES

(Streptococcus
suis) 		PF13561
(adh_short_C2) 		5 GLY A  21
ASP A  45
ASP A  71
ASN A  98
ALA A  99
 NAP  A 273 (-3.7A)
NAP  A 273 (-2.9A)
NAP  A 273 (-3.4A)
NAP  A 273 (-3.2A)
NAP  A 273 (-3.6A)
 0.91A 2bm9E-3o03A:
5.8		 2bm9E-3o03A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o26 SALUTARIDINE
REDUCTASE

(Papaver
somniferum) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 GLY A  19
ARG A  44
ASP A  70
ASN A  98
ALA A  99
 NDP  A 312 (-3.4A)
NDP  A 312 (-3.4A)
NDP  A 312 (-3.2A)
NDP  A 312 (-3.3A)
NDP  A 312 (-3.4A)
 1.03A 2bm9E-3o26A:
5.0		 2bm9E-3o26A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p19 PUTATIVE BLUE
FLUORESCENT PROTEIN

(Vibrio
vulnificus) 		PF00106
(adh_short) 		5 GLY A   9
ARG A  34
ASP A  53
ASN A  80
ALA A  81
 NDP  A2001 ( 3.3A)
NDP  A2001 ( 3.6A)
NDP  A2001 ( 3.5A)
NDP  A2001 ( 3.3A)
NDP  A2001 ( 3.6A)
 1.01A 2bm9E-3p19A:
5.7		 2bm9E-3p19A:
22.38
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.
3pgx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  18
ASP A  42
ASP A  81
ASN A 108
ALA A 109
 NAD  A 277 (-3.4A)
NAD  A 277 (-2.8A)
NAD  A 277 (-3.5A)
NAD  A 277 (-3.2A)
NAD  A 277 (-3.5A)
 0.93A 2bm9E-3pgxA:
5.0		 2bm9E-3pgxA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  13
ASP A  37
ASP A  75
ASN A 102
ALA A 103
 NAD  A 284 (-3.4A)
NAD  A 284 (-2.8A)
NAD  A 284 (-3.7A)
NAD  A 284 (-3.4A)
NAD  A 284 (-3.6A)
 0.94A 2bm9E-3pxxA:
4.7		 2bm9E-3pxxA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rwb PYRIDOXAL
4-DEHYDROGENASE

(Mesorhizobium
loti) 		PF13561
(adh_short_C2) 		5 GLY A  14
ASP A  38
ASP A  61
ASN A  88
ALA A  89
 NAD  A 251 (-3.4A)
NAD  A 251 (-2.7A)
NAD  A 251 (-3.8A)
NAD  A 251 (-3.3A)
NAD  A 251 (-3.5A)
 0.98A 2bm9E-3rwbA:
5.4		 2bm9E-3rwbA:
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.
3s55 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Mycobacteroides
abscessus) 		PF00106
(adh_short) 		5 GLY A  14
ASP A  38
ASP A  76
ASN A 103
ALA A 104
 NAD  A 279 (-3.4A)
NAD  A 279 (-2.9A)
NAD  A 279 (-3.6A)
NAD  A 279 (-3.3A)
NAD  A 279 (-3.6A)
 0.98A 2bm9E-3s55A:
4.6		 2bm9E-3s55A:
22.33
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.
3sx2 PUTATIVE
3-KETOACYL-(ACYL-CAR
RIER-PROTEIN)
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  18
ASP A  42
ASP A  80
ASN A 107
ALA A 108
 NAD  A 300 (-3.4A)
NAD  A 300 (-2.9A)
NAD  A 300 (-3.6A)
NAD  A 300 (-3.3A)
NAD  A 300 (-3.5A)
 0.93A 2bm9E-3sx2A:
5.0		 2bm9E-3sx2A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t7c CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  14
ASP A  38
ASP A  76
ASN A 103
ALA A 104
 NAD  A 279 (-3.5A)
NAD  A 279 (-2.8A)
NAD  A 279 (-3.2A)
NAD  A 279 (-3.3A)
NAD  A 279 (-3.6A)
 0.91A 2bm9E-3t7cA:
4.8		 2bm9E-3t7cA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tjr SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 GLY A  17
ASP A  41
ASP A  67
ASN A  94
ALA A  95
 UNL  A 281 ( 3.3A)
UNL  A 281 ( 2.8A)
UNL  A 281 ( 3.7A)
UNL  A 281 ( 3.3A)
UNL  A 281 ( 3.6A)
 0.93A 2bm9E-3tjrA:
6.1		 2bm9E-3tjrA:
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.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLY A  15
ARG A  40
ASP A  65
ASN A  92
ALA A  93
 NAP  A 601 (-3.3A)
NAP  A 601 (-3.7A)
NAP  A 601 (-3.4A)
NAP  A 601 (-3.1A)
NAP  A 601 (-3.9A)
 1.03A 2bm9E-3toxA:
5.4		 2bm9E-3toxA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsc PUTATIVE
OXIDOREDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  14
ASP A  38
ASP A  77
ASN A 104
ALA A 105
 NAD  A 274 (-3.2A)
NAD  A 274 (-2.9A)
NAD  A 274 (-3.4A)
NAD  A 274 (-3.2A)
NAD  A 274 (-3.5A)
 0.94A 2bm9E-3tscA:
4.6		 2bm9E-3tscA:
22.37
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.
3tzq SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
marinum) 		no annotation 5 GLY B  14
ASP B  38
ASP B  61
ASN B  88
ALA B  89
 None
 0.95A 2bm9E-3tzqB:
5.4		 2bm9E-3tzqB:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u0b OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 GLY A 216
ASP A 240
ASP A 263
ASN A 291
ALA A 292
 None
 0.95A 2bm9E-3u0bA:
6.5		 2bm9E-3u0bA:
19.56
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		5 LEU A 564
LEU A 511
GLY A 590
ALA A 520
ALA A 524
 None
 1.03A 2bm9E-3ut2A:
undetectable		 2bm9E-3ut2A:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uve CARVEOL
DEHYDROGENASE
((+)-TRANS-CARVEOL
DEHYDROGENASE)

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  14
ASP A  38
ASP A  80
ASN A 107
ALA A 108
 NAD  A 300 (-3.4A)
NAD  A 300 (-2.8A)
NAD  A 300 (-3.4A)
NAD  A 300 (-3.3A)
NAD  A 300 (-3.6A)
 0.95A 2bm9E-3uveA:
4.6		 2bm9E-3uveA:
20.81
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.
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]

(Klebsiella
pneumoniae;
Corynebacterium
glutamicum) 		PF13561
(adh_short_C2) 		5 GLY A   9
ASP A  33
ASP A  59
ASN A  86
ALA A  87
 NAD  A 301 (-3.3A)
NAD  A 301 (-2.8A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.4A)
NAD  A 301 ( 3.7A)
 0.97A 2bm9E-3wyeA:
5.0		 2bm9E-3wyeA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		5 LEU A 521
LEU A 467
GLY A 548
ALA A 476
ALA A 480
 None
 0.99A 2bm9E-4c51A:
undetectable		 2bm9E-4c51A:
15.30
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.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 GLY A  34
ASP A  58
ASP A  81
ASN A 108
ALA A 109
 None
 0.98A 2bm9E-4dqxA:
5.4		 2bm9E-4dqxA:
22.65
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.
4e6p PROBABLE SORBITOL
DEHYDROGENASE
(L-IDITOL
2-DEHYDROGENASE)

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLY A  13
ASP A  37
ASP A  60
ASN A  87
ALA A  88
 None
 0.98A 2bm9E-4e6pA:
5.5		 2bm9E-4e6pA:
20.38
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.
4g81 PUTATIVE HEXONATE
DEHYDROGENASE

(Salmonella
enterica) 		no annotation 5 GLY D  17
ASP D  41
ASP D  67
ASN D  94
ALA D  95
 None
 0.94A 2bm9E-4g81D:
5.7		 2bm9E-4g81D:
19.34
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.
4hp8 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 GLY A  16
ARG A  41
ASP A  64
ASN A  86
ALA A  87
 NAP  A 301 (-3.1A)
NAP  A 301 (-3.3A)
NAP  A 301 (-3.8A)
NAP  A 301 (-3.2A)
NAP  A 301 (-3.7A)
 0.96A 2bm9E-4hp8A:
5.3		 2bm9E-4hp8A:
24.53
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.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 GLY A  14
ASP A  38
ASP A  64
ASN A  91
ALA A  92
 NAI  A 301 (-3.3A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.4A)
NAI  A 301 ( 3.7A)
 0.97A 2bm9E-4ituA:
4.8		 2bm9E-4ituA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kzp OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF00106
(adh_short) 		5 GLY A  29
ASP A  53
ASP A  80
ASN A 106
ALA A 107
 GOL  A 407 (-3.3A)
GOL  A 407 (-3.1A)
EDO  A 401 (-3.1A)
GOL  A 407 ( 4.8A)
GOL  A 407 (-3.8A)
 0.99A 2bm9E-4kzpA:
3.0		 2bm9E-4kzpA:
21.30
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.
4l4x AMPHI

(Streptomyces
nodosus) 		PF08659
(KR) 		5 GLY A 284
ARG A 310
ARG A 311
ALA A 366
ALA A 388
 NDP  A 601 (-3.3A)
NDP  A 601 (-3.1A)
NDP  A 601 (-3.9A)
NDP  A 601 (-4.1A)
NDP  A 601 ( 3.9A)
 1.00A 2bm9E-4l4xA:
4.9		 2bm9E-4l4xA:
17.99
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.
4l4x AMPHI

(Streptomyces
nodosus) 		PF08659
(KR) 		5 GLY A 284
ARG A 310
ASP A 338
ALA A 366
ALA A 388
 NDP  A 601 (-3.3A)
NDP  A 601 (-3.1A)
NDP  A 601 (-3.4A)
NDP  A 601 (-4.1A)
NDP  A 601 ( 3.9A)
 0.95A 2bm9E-4l4xA:
4.9		 2bm9E-4l4xA:
17.99
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.
4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus sp.
SG-1) 		PF13561
(adh_short_C2) 		5 GLY A  20
ASP A  44
ASP A  66
ASN A  93
ALA A  94
 NAI  A 301 (-3.3A)
NAI  A 301 (-2.9A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.7A)
 0.90A 2bm9E-4nbuA:
5.6		 2bm9E-4nbuA:
21.66
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.
4nbv 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE PUTATIVE
SHORT-CHAIN
DEHYDROGENASES/REDUC
TASES (SDR) FAMILY
PROTEIN

(Cupriavidus
taiwanensis) 		PF13561
(adh_short_C2) 		5 GLY A  12
ASP A  36
ASP A  62
ASN A  89
ALA A  90
 None
 0.94A 2bm9E-4nbvA:
5.7		 2bm9E-4nbvA:
20.60
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.
4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Plesiocystis
pacifica) 		PF13561
(adh_short_C2) 		5 GLY A  19
ASP A  43
ASP A  69
ASN A  96
ALA A  97
 NAD  A 301 (-3.2A)
NAD  A 301 (-2.4A)
NAD  A 301 (-3.0A)
NAD  A 301 (-2.9A)
NAD  A 301 (-3.8A)
 0.94A 2bm9E-4nbwA:
5.8		 2bm9E-4nbwA:
21.90
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.
4ni5 OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Brucella suis) 		PF13561
(adh_short_C2) 		5 GLY A  12
ASP A  36
ASP A  61
ASN A  88
ALA A  89
 None
 0.97A 2bm9E-4ni5A:
5.4		 2bm9E-4ni5A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p0f SERINE PROTEASE
INHIBITOR 4, ISOFORM
B

(Drosophila
melanogaster) 		PF00079
(Serpin) 		5 LEU A 270
GLU A 326
GLY A 327
ASN A 324
ALA A 330
 None
 0.92A 2bm9E-4p0fA:
undetectable		 2bm9E-4p0fA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		5 GLY A  33
ASP A 143
ASN A  42
ALA A  39
ALA A 148
 None
 0.97A 2bm9E-4pr3A:
undetectable		 2bm9E-4pr3A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pzk TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Bacillus
anthracis) 		PF00588
(SpoU_methylase) 		6 LEU A   7
LEU A 136
GLY A  17
ASN A  18
ALA A  20
ALA A  24
 None
SAH  A 201 ( 4.3A)
None
None
None
None
 1.31A 2bm9E-4pzkA:
2.5		 2bm9E-4pzkA:
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.
4rgb CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  27
ASP A  51
ASP A  89
ASN A 116
ALA A 117
 NAD  A 301 (-3.5A)
NAD  A 301 (-2.7A)
NAD  A 301 (-3.2A)
NAD  A 301 (-3.2A)
NAD  A 301 (-3.5A)
 0.96A 2bm9E-4rgbA:
4.7		 2bm9E-4rgbA:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 GLY A  16
ASP A  40
ASP A  61
ASN A  88
ALA A  89
 NAD  A 301 (-3.1A)
NAD  A 301 (-1.6A)
NAD  A 301 (-3.9A)
NAD  A 301 (-3.3A)
NAD  A 301 ( 4.0A)
 0.99A 2bm9E-4wecA:
5.7		 2bm9E-4wecA:
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.
4yai C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 GLY A  12
ASP A  36
ASP A  64
ASN A  91
ALA A  92
 NAI  A 500 (-2.8A)
NAI  A 500 (-2.2A)
NAI  A 500 (-3.0A)
NAI  A 500 (-2.9A)
NAI  A 500 (-3.7A)
 1.03A 2bm9E-4yaiA:
5.4		 2bm9E-4yaiA:
22.74
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.
4z9x GLUCONATE
5-DEHYDROGENASE

(Streptococcus
pyogenes) 		PF13561
(adh_short_C2) 		5 GLY A  16
ASP A  40
ASP A  66
ASN A  93
ALA A  94
 None
 0.92A 2bm9E-4z9xA:
6.2		 2bm9E-4z9xA:
23.21
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.
5d66 UNCHARACTERIZED
PROTEIN

(Acinetobacter
baumannii) 		PF12796
(Ank_2) 		5 LEU A 172
GLY A 141
ARG A 138
ASP A 108
ALA A 116
 None
CL  A 301 (-3.5A)
None
None
None
 0.99A 2bm9E-5d66A:
undetectable		 2bm9E-5d66A:
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.
5ej2 CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  22
ASP A  46
ASP A  84
ASN A 111
ALA A 112
 NAD  A 300 (-3.5A)
NAD  A 300 (-2.7A)
NAD  A 300 (-3.3A)
NAD  A 300 (-3.4A)
NAD  A 300 (-3.6A)
 0.95A 2bm9E-5ej2A:
2.4		 2bm9E-5ej2A:
20.98
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.
5en4 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLY A  16
ASP A  40
ASP A  62
ASN A  89
ALA A  90
 NAD  A 301 (-3.2A)
NAD  A 301 (-2.8A)
NAD  A 301 (-3.4A)
NAD  A 301 (-3.4A)
NAD  A 301 ( 3.8A)
 0.93A 2bm9E-5en4A:
5.5		 2bm9E-5en4A:
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.
5feu NOROXOMARITIDINE/NOR
CRAUGSODINE
REDUCTASE

(Narcissus
pseudonarcissus) 		PF13561
(adh_short_C2) 		5 GLY A  32
ARG A  57
ASP A  82
ASN A 110
ALA A 111
 NAP  A 301 (-3.3A)
NAP  A 301 (-3.5A)
NAP  A 301 (-3.7A)
NAP  A 301 (-3.3A)
NAP  A 301 ( 3.8A)
 1.02A 2bm9E-5feuA:
5.7		 2bm9E-5feuA:
18.12
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.
5h5x PUTATIVE
OXIDOREDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		5 GLY A  26
ASP A  50
ASP A  76
ASN A 103
ALA A 104
 NAI  A 301 (-3.3A)
NAI  A 301 (-2.9A)
NAI  A 301 (-4.0A)
NAI  A 301 (-3.3A)
NAI  A 301 (-3.6A)
 0.96A 2bm9E-5h5xA:
5.5		 2bm9E-5h5xA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		5 GLY A  21
ASP A  45
ASP A  71
ASN A  98
ALA A  99
 None
 0.99A 2bm9E-5ha5A:
5.6		 2bm9E-5ha5A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 GLY A  13
ASP A  37
ASP A  63
ASN A  90
ALA A  91
 NAD  A 301 (-3.4A)
NAD  A 301 (-2.9A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.3A)
NAD  A 301 (-3.4A)
 0.95A 2bm9E-5ig2A:
5.9		 2bm9E-5ig2A:
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.
5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE

(Bacillus
subtilis) 		PF13561
(adh_short_C2) 		6 LEU A 191
GLY A  14
ASP A  38
ASP A  62
ASN A  89
ALA A  90
 SO4  A 302 ( 4.8A)
None
None
None
SO4  A 302 (-3.3A)
None
 0.96A 2bm9E-5itwA:
5.5		 2bm9E-5itwA:
21.43
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.
5jla PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  16
ASP A  40
ARG A  41
ASP A  61
ALA A  89
 NAD  A 401 (-3.5A)
NAD  A 401 (-2.9A)
NAD  A 401 (-3.0A)
NAD  A 401 (-3.7A)
NAD  A 401 (-3.6A)
 0.63A 2bm9E-5jlaA:
4.7		 2bm9E-5jlaA:
24.74
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 LEU A 528
LEU A 475
GLY A 555
ALA A 484
ALA A 488
 None
 1.03A 2bm9E-5kqiA:
undetectable		 2bm9E-5kqiA:
16.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l51 (-)-MENTHONE:(+)-NEO
MENTHOL REDUCTASE

(Mentha x
piperita) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 GLY A  20
ARG A  45
ASP A  75
ASN A 102
ALA A 103
 None
 0.96A 2bm9E-5l51A:
5.4		 2bm9E-5l51A:
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.
5o98 ALCOHOL
DEHYDROGENASE 1

(Catharanthus
roseus) 		no annotation 5 GLY A  15
ARG A  40
ASP A  67
ASN A  94
ALA A  95
 NAP  A 501 (-3.6A)
NAP  A 501 (-3.2A)
NAP  A 501 (-3.4A)
NAP  A 501 (-3.3A)
NAP  A 501 (-3.4A)
 1.03A 2bm9E-5o98A:
4.9		 2bm9E-5o98A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ok8 LPP20 LIPOPROTEIN

(Helicobacter
pylori) 		no annotation 5 LEU A 137
GLY A  67
ASN A  92
ALA A  89
ALA A  85
 None
 1.02A 2bm9E-5ok8A:
undetectable		 2bm9E-5ok8A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ovk 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A  30
ARG A  55
ASP A  69
ASN A  96
ALA A  97
 NDP  A 301 (-3.3A)
NDP  A 301 (-3.3A)
NDP  A 301 (-3.4A)
NDP  A 301 ( 4.4A)
NDP  A 301 (-3.6A)
 1.00A 2bm9E-5ovkA:
4.5		 2bm9E-5ovkA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t2u OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 GLY A  12
ARG A  37
ASP A  59
ASN A  82
ALA A  83
 NAP  A 301 (-3.3A)
NAP  A 301 (-3.5A)
NAP  A 301 (-3.8A)
NAP  A 301 (-3.4A)
NAP  A 301 ( 3.7A)
 1.01A 2bm9E-5t2uA:
5.1		 2bm9E-5t2uA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tt0 OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Burkholderia
thailandensis) 		PF13561
(adh_short_C2) 		5 GLY A  11
ASP A  35
ASN A  81
ALA A  82
ALA A 108
 SO4  A 301 ( 3.7A)
EDO  A 305 (-3.5A)
None
EDO  A 305 ( 3.6A)
None
 1.00A 2bm9E-5tt0A:
5.6		 2bm9E-5tt0A:
23.57
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.
5u4s PUTATIVE SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 GLY A  12
ARG A  38
ASP A  56
ASN A  79
ALA A  80
 NAP  A 300 (-3.2A)
NAP  A 300 (-3.6A)
NAP  A 300 (-3.7A)
NAP  A 300 (-3.3A)
NAP  A 300 (-3.3A)
 1.02A 2bm9E-5u4sA:
6.6		 2bm9E-5u4sA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uh0 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE F

(Yersinia pestis) 		PF00497
(SBP_bac_3) 		5 LEU A 209
LEU A 216
GLY A 201
ASP A 202
ALA A 154
 None
 0.97A 2bm9E-5uh0A:
undetectable		 2bm9E-5uh0A:
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.
5vn2 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		5 GLY A  12
ASP A  36
ASP A  60
ASN A  87
ALA A  88
 NAD  A 301 (-3.3A)
NAD  A 301 (-2.8A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.3A)
NAD  A 301 (-3.6A)
 0.96A 2bm9E-5vn2A:
5.6		 2bm9E-5vn2A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		no annotation 6 GLY A  13
ASP A  37
ARG A  38
ASP A  60
ASN A  87
ALA A  88
 NAI  A 301 (-3.1A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.3A)
NAI  A 301 (-3.7A)
 0.92A 2bm9E-6b9uA:
5.6		 2bm9E-6b9uA:
21.97
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.
6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		no annotation 6 LEU A 194
GLY A  13
ARG A  38
ASP A  60
ASN A  87
ALA A  88
 NAI  A 301 (-3.3A)
NAI  A 301 (-3.1A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.3A)
NAI  A 301 (-3.7A)
 1.09A 2bm9E-6b9uA:
5.6		 2bm9E-6b9uA:
21.97
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.
6d6q EXOSOME COMPLEX
COMPONENT RRP42

(Homo sapiens) 		no annotation 5 LEU E 192
GLY E  47
ASN E 162
ALA E 159
ALA E 155
 None
 0.87A 2bm9E-6d6qE:
undetectable		 2bm9E-6d6qE:
undetectable