SIMILAR PATTERNS OF AMINO ACIDS FOR 1CET_A_CLQA1001_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a5z L-LACTATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  27
GLY A  28
ASP A  53
TYR A  85
ALA A  98
 NAD  A 352 ( 4.9A)
NAD  A 352 (-3.6A)
NAD  A 352 (-2.7A)
None
NAD  A 352 (-3.7A)
 0.53A 1cetA-1a5zA:
40.9		 1cetA-1a5zA:
36.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d1n INITIATION FACTOR 2

(Geobacillus
stearothermophilus) 		PF03144
(GTP_EFTU_D2) 		5 VAL A 153
GLY A 167
ILE A 175
ALA A 166
ILE A 218
 None
 1.11A 1cetA-1d1nA:
undetectable		 1cetA-1d1nA:
17.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ez4 LACTATE
DEHYDROGENASE

(Lactobacillus
pentosus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 VAL A  26
GLY A  27
ASP A  52
TYR A  83
ALA A  96
ILE A 116
 None
NAD  A1352 ( 4.0A)
NAD  A1352 (-3.0A)
None
NAD  A1352 (-3.5A)
NAD  A1352 (-3.8A)
 0.74A 1cetA-1ez4A:
40.4		 1cetA-1ez4A:
33.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1guz MALATE DEHYDROGENASE

(Chlorobaculum
tepidum;
Prosthecochloris
vibrioformis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A   7
ASP A  32
ALA A  77
ILE A  97
GLU A 100
 NAD  A1306 ( 4.0A)
NAD  A1306 (-3.0A)
NAD  A1306 ( 3.8A)
NAD  A1306 (-3.8A)
NAD  A1306 (-3.8A)
 0.73A 1cetA-1guzA:
42.4		 1cetA-1guzA:
40.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1guz MALATE DEHYDROGENASE

(Chlorobaculum
tepidum;
Prosthecochloris
vibrioformis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A   7
ASP A  32
TYR A  64
ALA A  77
ILE A  97
 NAD  A1306 ( 4.0A)
NAD  A1306 (-3.0A)
None
NAD  A1306 ( 3.8A)
NAD  A1306 (-3.8A)
 0.75A 1cetA-1guzA:
42.4		 1cetA-1guzA:
40.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gv0 MALATE DEHYDROGENASE

(Chlorobaculum
tepidum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A   7
ASP A  32
ALA A  77
ILE A  97
GLU A 100
 NAD  A1306 ( 4.1A)
NAD  A1306 (-3.1A)
NAD  A1306 (-3.6A)
NAD  A1306 (-4.1A)
NAD  A1306 (-4.2A)
 0.72A 1cetA-1gv0A:
41.5		 1cetA-1gv0A:
39.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hyg L-LACTATE/MALATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A 103
GLY A 104
ALA A 132
PHE A 138
ILE A 118
 None
 1.07A 1cetA-1hygA:
38.0		 1cetA-1hygA:
32.13
Potential target for repurposing, i.e. matched protein structure has less than 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
ILE A  37
ALA A  87
ILE A 109
 None
 0.81A 1cetA-1k2wA:
10.9		 1cetA-1k2wA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ldm M4 LACTATE
DEHYDROGENASE

(Squalus
acanthias) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 VAL A  26
GLY A  27
ASP A  52
TYR A  83
ALA A  96
ILE A 116
 None
NAD  A 330 ( 4.3A)
NAD  A 330 (-2.8A)
None
NAD  A 330 (-3.4A)
NAD  A 330 ( 4.1A)
 0.69A 1cetA-1ldmA:
38.2		 1cetA-1ldmA:
29.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1llc L-LACTATE
DEHYDROGENASE

(Lactobacillus
casei) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  27
GLY A  28
ASP A  53
ILE A  54
ILE A 119
 None
 0.94A 1cetA-1llcA:
37.7		 1cetA-1llcA:
33.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lth L-LACTATE
DEHYDROGENASE (T-
AND R- STATE
TETRAMER COMPLEX)

(Bifidobacterium
longum) 		no annotation 5 GLY T  14
ASP T  39
ILE T  40
ALA T  83
ILE T 103
 NAD  T 321 ( 3.8A)
NAD  T 321 ( 2.8A)
NAD  T 321 ( 4.0A)
NAD  T 321 ( 3.5A)
NAD  T 321 ( 4.4A)
 0.38A 1cetA-1lthT:
37.8		 1cetA-1lthT:
29.94
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.
1mld MALATE DEHYDROGENASE

(Sus scrofa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A   7
ASP A  33
ILE A  34
ALA A  76
ILE A  96
 None
 0.49A 1cetA-1mldA:
33.0		 1cetA-1mldA:
28.57
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.
1mns MANDELATE RACEMASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A 145
GLY A 144
ILE A 167
ALA A 148
ILE A 182
 None
 1.02A 1cetA-1mnsA:
undetectable		 1cetA-1mnsA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p2x RAS
GTPASE-ACTIVATING-LI
KE PROTEIN

(Schizosaccharomyces
pombe) 		PF00307
(CH) 		5 VAL A  73
GLY A  72
TYR A  92
ALA A  76
ILE A  88
 None
None
None
None
BR  A 192 (-4.8A)
 1.16A 1cetA-1p2xA:
undetectable		 1cetA-1p2xA:
19.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1t2f L-LACTATE
DEHYDROGENASE B
CHAIN

(Homo sapiens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  26
GLY A  27
ASP A  52
TYR A  83
ALA A  96
 None
NAD  A 401 ( 4.5A)
NAD  A 401 (-2.5A)
None
NAD  A 401 ( 4.1A)
 0.59A 1cetA-1t2fA:
38.8		 1cetA-1t2fA:
30.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uxi MALATE DEHYDROGENASE

(Chloroflexus
aurantiacus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A   9
ASP A  33
ILE A  34
TYR A  65
ILE A  98
 NAD  A1310 (-3.5A)
NAD  A1310 (-3.0A)
NAD  A1310 (-3.8A)
None
NAD  A1310 (-4.1A)
 0.87A 1cetA-1uxiA:
42.1		 1cetA-1uxiA:
42.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6a L-LACTATE
DEHYDROGENASE A
CHAIN

(Cyprinus carpio) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  26
GLY A  27
ASP A  52
ALA A  96
ILE A 116
 None
TRE  A 334 ( 4.0A)
TRE  A 334 (-2.5A)
TRE  A 334 (-3.6A)
TRE  A 334 ( 4.6A)
 0.53A 1cetA-1v6aA:
38.5		 1cetA-1v6aA:
29.88
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.
1v6a L-LACTATE
DEHYDROGENASE A
CHAIN

(Cyprinus carpio) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  26
GLY A  27
ASP A  52
TYR A  83
ALA A  96
 None
TRE  A 334 ( 4.0A)
TRE  A 334 (-2.5A)
None
TRE  A 334 (-3.6A)
 0.57A 1cetA-1v6aA:
38.5		 1cetA-1v6aA:
29.88
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.
1v9l GLUTAMATE
DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 217
ASP A 241
ILE A 242
ALA A 299
ILE A 300
 NAD  A 430 (-3.5A)
NAD  A 430 (-2.5A)
NAD  A 430 (-4.0A)
NAD  A 430 (-3.3A)
NAD  A 430 (-4.2A)
 0.79A 1cetA-1v9lA:
2.9		 1cetA-1v9lA:
22.88
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.
1vko INOSITOL-3-PHOSPHATE
SYNTHASE

(Caenorhabditis
elegans) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 VAL A  70
GLY A  71
ASP A 148
ILE A 149
ALA A 237
 NAD  A 601 (-4.6A)
NAD  A 601 (-3.2A)
NAD  A 601 (-2.7A)
NAD  A 601 (-4.1A)
NAD  A 601 (-3.3A)
 0.48A 1cetA-1vkoA:
7.1		 1cetA-1vkoA:
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.
2atr ACETYLTRANSFERASE,
GNAT FAMILY

(Streptococcus
pneumoniae) 		PF13673
(Acetyltransf_10) 		5 VAL A  74
GLY A  55
ILE A  57
ALA A  47
ILE A   4
 None
 1.16A 1cetA-2atrA:
undetectable		 1cetA-2atrA:
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.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG) 		PF05199
(GMC_oxred_C) 		5 VAL A  52
GLY A  53
ASP A  76
ILE A  77
ALA A 320
 FAD  A1625 (-4.8A)
FAD  A1625 (-3.4A)
FAD  A1625 (-2.9A)
FAD  A1625 (-3.9A)
FAD  A1625 (-3.6A)
 0.59A 1cetA-2f5vA:
4.2		 1cetA-2f5vA:
18.98
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.
2g5c PREPHENATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF02153
(PDH) 		5 VAL A  36
GLY A  37
ASP A  62
ILE A  63
GLU A 106
 None
NAD  A3686 (-3.6A)
NAD  A3686 (-2.8A)
NAD  A3686 (-3.9A)
NAD  A3686 ( 4.4A)
 0.76A 1cetA-2g5cA:
9.9		 1cetA-2g5cA:
24.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hjr MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 GLY A  21
ASP A  45
ILE A  46
TYR A  77
ALA A  90
ILE A 110
 APR  A3001 (-3.6A)
APR  A3001 (-3.1A)
APR  A3001 (-3.8A)
None
APR  A3001 (-3.6A)
APR  A3001 (-3.9A)
 1.02A 1cetA-2hjrA:
44.6		 1cetA-2hjrA:
41.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hlp MALATE DEHYDROGENASE

(Haloarcula
marismortui) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  27
GLY A  28
ASP A  53
ALA A  98
ILE A 119
 None
 0.79A 1cetA-2hlpA:
38.1		 1cetA-2hlpA:
31.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hlp MALATE DEHYDROGENASE

(Haloarcula
marismortui) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  27
GLY A  28
ASP A  53
ILE A  54
ALA A  98
 None
 0.74A 1cetA-2hlpA:
38.1		 1cetA-2hlpA:
31.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hlp MALATE DEHYDROGENASE

(Haloarcula
marismortui) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  27
GLY A  28
ASP A  53
TYR A  85
ALA A  98
 None
 0.56A 1cetA-2hlpA:
38.1		 1cetA-2hlpA:
31.90
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.
2j4d CRYPTOCHROME DASH

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 GLY A 251
ASP A 104
ALA A 254
ILE A  15
GLU A  12
 None
 1.19A 1cetA-2j4dA:
undetectable		 1cetA-2j4dA:
19.37
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.
2lao LYSINE, ARGININE,
ORNITHINE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00497
(SBP_bac_3) 		5 VAL A 114
GLY A 115
ALA A 158
PHE A 169
ILE A  95
 None
 1.10A 1cetA-2laoA:
undetectable		 1cetA-2laoA:
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.
2ldx APO-LACTATE
DEHYDROGENASE

(Mus musculus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  25
GLY A  26
ASP A  51
ALA A  95
ILE A 115
 None
 0.65A 1cetA-2ldxA:
36.9		 1cetA-2ldxA:
29.97
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.
2ldx APO-LACTATE
DEHYDROGENASE

(Mus musculus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  25
GLY A  26
ASP A  51
TYR A  82
ALA A  95
 None
 0.57A 1cetA-2ldxA:
36.9		 1cetA-2ldxA:
29.97
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.
2pwz MALATE DEHYDROGENASE

(Escherichia
coli) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A   7
ASP A  34
ILE A  35
ALA A  77
ILE A  97
 None
 0.60A 1cetA-2pwzA:
32.7		 1cetA-2pwzA:
29.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v65 L-LACTATE
DEHYDROGENASE A
CHAIN

(Champsocephalus
gunnari) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  27
GLY A  28
ASP A  53
ALA A  98
ILE A 119
 None
 0.44A 1cetA-2v65A:
38.5		 1cetA-2v65A:
33.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v65 L-LACTATE
DEHYDROGENASE A
CHAIN

(Champsocephalus
gunnari) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  27
GLY A  28
ASP A  53
TYR A  85
ALA A  98
 None
 0.58A 1cetA-2v65A:
38.5		 1cetA-2v65A:
33.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v6b L-LACTATE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 VAL A  27
GLY A  28
ASP A  53
ALA A  98
ILE A 119
GLU A 122
 None
 0.67A 1cetA-2v6bA:
34.7		 1cetA-2v6bA:
29.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x0i MALATE DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		7 VAL A  27
GLY A  28
ASP A  53
ILE A  54
TYR A  85
ALA A  98
ILE A 119
 None
NAI  A1000 ( 4.2A)
NAI  A1000 (-2.8A)
NAI  A1000 (-4.3A)
None
NAI  A1000 (-3.5A)
NAI  A1000 (-3.7A)
 0.75A 1cetA-2x0iA:
38.4		 1cetA-2x0iA:
32.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3czm L-LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  27
ASP A  53
ALA A  98
ILE A 119
GLU A 122
 NAD  A 401 ( 3.8A)
NAD  A 401 (-2.9A)
NAD  A 401 (-3.4A)
NAD  A 401 (-3.9A)
NAD  A 401 (-3.4A)
 0.45A 1cetA-3czmA:
44.9		 1cetA-3czmA:
48.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3czm L-LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  27
ASP A  53
TYR A  85
ALA A  98
ILE A 119
 NAD  A 401 ( 3.8A)
NAD  A 401 (-2.9A)
None
NAD  A 401 (-3.4A)
NAD  A 401 (-3.9A)
 0.69A 1cetA-3czmA:
44.9		 1cetA-3czmA:
48.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e54 RRNA INTRON-ENCODED
ENDONUCLEASE

(Vulcanisaeta
distributa) 		PF00961
(LAGLIDADG_1) 		5 VAL A 116
GLY A 114
ALA A 112
PHE A 105
ILE A  88
 None
 1.20A 1cetA-3e54A:
undetectable		 1cetA-3e54A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ec7 PUTATIVE
DEHYDROGENASE

(Salmonella
enterica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 VAL A   8
GLY A   9
ASP A  35
ILE A  36
ALA A  74
 NAD  A 400 (-4.7A)
NAD  A 400 (-3.6A)
NAD  A 400 (-2.6A)
NAD  A 400 (-4.0A)
NAD  A 400 (-3.8A)
 0.53A 1cetA-3ec7A:
9.2		 1cetA-3ec7A:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		5 VAL A 183
GLY A 184
ASP A 206
ILE A 207
ILE A 253
 GOL  A 322 ( 4.9A)
GOL  A 322 ( 3.7A)
GOL  A 322 (-3.5A)
GOL  A 322 (-4.1A)
GOL  A 322 ( 4.7A)
 0.67A 1cetA-3grzA:
6.0		 1cetA-3grzA:
22.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gvh MALATE DEHYDROGENASE

(Brucella
abortus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  10
ASP A  34
ILE A  35
TYR A  66
ALA A  79
 NAD  A 400 ( 4.1A)
NAD  A 400 (-2.9A)
NAD  A 400 (-4.4A)
None
NAD  A 400 (-3.4A)
 0.56A 1cetA-3gvhA:
44.7		 1cetA-3gvhA:
46.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gzs UNCHARACTERIZED SUSD
SUPERFAMILY PROTEIN

(Bacteroides
fragilis) 		PF12741
(SusD-like) 		5 VAL A 215
GLY A 225
ASP A 220
PHE A 233
ILE A 154
 None
 1.08A 1cetA-3gzsA:
undetectable		 1cetA-3gzsA:
19.38
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.
3h0r ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Aquifex
aeolicus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 VAL B 321
GLY B 318
ALA B 317
ILE B 307
GLU B 304
 None
 0.96A 1cetA-3h0rB:
undetectable		 1cetA-3h0rB:
22.79
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.
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum) 		PF06838
(Met_gamma_lyase) 		5 GLY A 233
ILE A 195
ALA A 234
ILE A 237
GLU A 228
 None
 1.17A 1cetA-3hvyA:
4.2		 1cetA-3hvyA:
21.94
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.
3k17 LIN0012 PROTEIN

(Listeria
innocua) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 291
ILE A 294
ALA A 290
PHE A 249
ILE A 235
 None
 1.01A 1cetA-3k17A:
undetectable		 1cetA-3k17A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kl4 SIGNAL RECOGNITION
54 KDA PROTEIN

(Sulfolobus
solfataricus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		5 GLY A 240
ASP A 213
ILE A  99
PHE A 269
ILE A 243
 None
 1.18A 1cetA-3kl4A:
undetectable		 1cetA-3kl4A:
23.48
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 VAL A 434
GLY A 437
ILE A 431
TYR A 441
ILE A 480
 None
 1.17A 1cetA-3lppA:
undetectable		 1cetA-3lppA:
16.99
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.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		5 VAL A 193
GLY A 192
ALA A 208
ILE A 209
GLU A 153
 None
 1.12A 1cetA-3mf3A:
undetectable		 1cetA-3mf3A:
22.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nep MALATE DEHYDROGENASE

(Salinibacter
ruber) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY X  28
ASP X  53
ILE X  54
ALA X  98
ILE X 119
 None
 0.34A 1cetA-3nepX:
41.9		 1cetA-3nepX:
40.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nep MALATE DEHYDROGENASE

(Salinibacter
ruber) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY X  28
ASP X  53
ILE X  54
TYR X  85
ALA X  98
 None
 0.76A 1cetA-3nepX:
41.9		 1cetA-3nepX:
40.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nep MALATE DEHYDROGENASE

(Salinibacter
ruber) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL X 120
GLY X 121
ALA X 149
PHE X 155
ILE X 135
 None
 0.99A 1cetA-3nepX:
41.9		 1cetA-3nepX:
40.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3om9 LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 GLY A  27
ASP A  53
TYR A  85
ALA A  98
ILE A 119
GLU A 122
 NAD  A 701 ( 4.0A)
NAD  A 701 (-2.9A)
None
NAD  A 701 (-3.4A)
NAD  A 701 (-3.6A)
None
 0.56A 1cetA-3om9A:
44.5		 1cetA-3om9A:
48.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p7m MALATE DEHYDROGENASE

(Francisella
tularensis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 VAL A   9
GLY A  10
ASP A  34
ILE A  35
TYR A  66
ALA A  79
 None
 0.48A 1cetA-3p7mA:
43.6		 1cetA-3p7mA:
46.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pqd L-LACTATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  12
ASP A  37
TYR A  68
ALA A  81
ILE A 101
 None
 0.67A 1cetA-3pqdA:
40.9		 1cetA-3pqdA:
32.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  12
ASP A  36
ILE A  37
ALA A  83
ILE A 103
 EDO  A 315 ( 4.1A)
EDO  A 315 (-3.3A)
None
EDO  A 315 ( 3.7A)
None
 0.62A 1cetA-3tl2A:
23.8		 1cetA-3tl2A:
44.27
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.
3tl3 SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
ulcerans) 		PF00106
(adh_short) 		5 GLY A  12
ASP A  36
ILE A  37
ALA A  83
ILE A 109
 None
 0.85A 1cetA-3tl3A:
9.2		 1cetA-3tl3A:
24.56
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.
3uve CARVEOL
DEHYDROGENASE
((+)-TRANS-CARVEOL
DEHYDROGENASE)

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  14
ASP A  38
ILE A  39
ALA A 108
ILE A 131
 NAD  A 300 (-3.4A)
NAD  A 300 (-2.8A)
NAD  A 300 (-3.8A)
NAD  A 300 (-3.6A)
NAD  A 300 (-3.8A)
 0.86A 1cetA-3uveA:
8.9		 1cetA-3uveA:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wo9 VARIABLE LYMPHOCYTE
RECEPTOR C

(Lethenteron
camtschaticum) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 VAL A 157
GLY A 156
ASP A 159
ALA A 181
PHE A 211
 None
 1.17A 1cetA-3wo9A:
undetectable		 1cetA-3wo9A:
25.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zh2 L-LACTATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		9 VAL A  10
GLY A  11
ASP A  35
ILE A  36
TYR A  67
ALA A  80
PHE A  82
ILE A 105
GLU A 108
 None
 0.52A 1cetA-3zh2A:
51.6		 1cetA-3zh2A:
99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a73 L-LACTATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  27
GLY A  28
ASP A  53
TYR A  85
ALA A  98
 None
 0.67A 1cetA-4a73A:
38.4		 1cetA-4a73A:
33.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bgu MALATE DEHYDROGENASE

(Haloferax
volcanii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A   8
ASP A  34
ILE A  35
ALA A  79
ILE A  99
 None
None
CL  A1316 ( 3.9A)
None
None
 0.70A 1cetA-4bguA:
38.4		 1cetA-4bguA:
33.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bgu MALATE DEHYDROGENASE

(Haloferax
volcanii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A   8
ASP A  34
TYR A  66
ALA A  79
ILE A  99
 None
 0.83A 1cetA-4bguA:
38.4		 1cetA-4bguA:
33.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bgv MALATE DEHYDROGENASE

(Picrophilus
torridus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 GLY A  10
ASP A  34
ILE A  35
TYR A  71
ALA A  84
ILE A 104
 None
 0.81A 1cetA-4bgvA:
41.6		 1cetA-4bgvA:
38.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dgu PUTATIVE CELL
ADHESION PROTEIN

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLY A 130
ILE A  38
ALA A 101
PHE A  78
ILE A  66
 None
 1.18A 1cetA-4dguA:
undetectable		 1cetA-4dguA:
23.79
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.
4e0b MALATE DEHYDROGENASE

(Vibrio
vulnificus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A   7
ASP A  34
ILE A  35
ALA A  77
ILE A  97
 None
 0.42A 1cetA-4e0bA:
33.2		 1cetA-4e0bA:
29.94
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.
4e6p PROBABLE SORBITOL
DEHYDROGENASE
(L-IDITOL
2-DEHYDROGENASE)

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLY A  13
ASP A  37
ILE A  38
ALA A  88
ILE A 110
 None
 0.90A 1cetA-4e6pA:
10.5		 1cetA-4e6pA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gew 5'-TYROSYL-DNA
PHOSPHODIESTERASE

(Caenorhabditis
elegans) 		PF03372
(Exo_endo_phos)
PF14555
(UBA_4) 		5 VAL A 197
GLY A 219
ILE A 221
PHE A 267
ILE A 153
 None
 1.16A 1cetA-4gewA:
undetectable		 1cetA-4gewA:
22.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i9u L-LACTATE
DEHYDROGENASE A
CHAIN

(Oryctolagus
cuniculus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 VAL A  25
GLY A  26
ASP A  51
TYR A  82
ALA A  95
ILE A 115
 1E7  A 401 (-4.5A)
1E7  A 401 (-3.2A)
1E7  A 401 (-3.4A)
None
1E7  A 401 (-3.5A)
1E7  A 401 (-4.2A)
 0.70A 1cetA-4i9uA:
38.9		 1cetA-4i9uA:
31.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4knh NUP192P

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 VAL A 323
GLY A 325
ALA A 327
PHE A 429
ILE A 376
 EDO  A1007 ( 4.8A)
None
None
None
None
 1.15A 1cetA-4knhA:
undetectable		 1cetA-4knhA:
14.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ln1 L-LACTATE
DEHYDROGENASE 1

(Bacillus cereus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 VAL A  11
GLY A  12
ASP A  37
TYR A  68
ALA A  81
ILE A 101
 None
 0.74A 1cetA-4ln1A:
41.6		 1cetA-4ln1A:
30.23
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.
4mch URIDINE
PHOSPHORYLASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		5 VAL A 152
GLY A 177
ALA A 178
PHE A 158
GLU A 181
 None
None
None
None
SO4  A 500 ( 4.2A)
 1.15A 1cetA-4mchA:
2.2		 1cetA-4mchA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4md8 CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL E 293
ASP E 130
ILE E 133
ALA E 297
PHE E 324
 None
 1.19A 1cetA-4md8E:
undetectable		 1cetA-4md8E:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n5c CARGO-TRANSPORT
PROTEIN YPP1

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A  21
ILE A  17
PHE A  38
ILE A  92
GLU A  91
 None
 1.17A 1cetA-4n5cA:
undetectable		 1cetA-4n5cA:
17.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 GLY A  28
ASP A  53
ILE A  54
TYR A  85
ALA A  98
ILE A 119
 NAD  A 401 ( 3.9A)
NAD  A 401 (-2.7A)
NAD  A 401 (-4.0A)
None
NAD  A 401 (-3.5A)
NAD  A 401 (-3.9A)
 0.65A 1cetA-4nd4A:
43.7		 1cetA-4nd4A:
44.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4npc SORBITOL
DEHYDROGENASE

(Brucella suis) 		PF13561
(adh_short_C2) 		5 GLY A  23
ASP A  47
ILE A  48
ALA A  98
ILE A 120
 None
 0.81A 1cetA-4npcA:
11.0		 1cetA-4npcA:
22.71
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 VAL A 456
GLY A 457
ILE A 608
ALA A 459
ILE A 592
 None
 1.10A 1cetA-4ox2A:
2.0		 1cetA-4ox2A:
19.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4plf LACTATE
DEHYDROGENASE

(Apicomplexa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 GLY A  15
ASP A  39
TYR A  71
ALA A  84
ILE A 109
GLU A 112
 NAI  A 401 ( 3.6A)
NAI  A 401 (-2.2A)
None
NAI  A 401 (-3.4A)
NAI  A 401 (-3.7A)
NAI  A 401 ( 3.5A)
 0.42A 1cetA-4plfA:
45.5		 1cetA-4plfA:
61.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4plh MALATE DEHYDROGENASE

(Apicomplexa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 GLY A  11
ASP A  35
ILE A  36
TYR A  67
ALA A  80
ILE A 100
 NAI  A 403 ( 4.3A)
NAI  A 403 (-2.8A)
NAI  A 403 (-3.8A)
None
NAI  A 403 (-3.4A)
NAI  A 403 (-3.7A)
 0.58A 1cetA-4plhA:
46.9		 1cetA-4plhA:
55.38
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.
4pq1 PUTATIVE ELECTRON
TRANSPORT RELATED
PROTEIN

(Corynebacterium
diphtheriae) 		PF00578
(AhpC-TSA) 		5 VAL A  65
GLY A  57
ILE A  55
PHE A 139
ILE A 110
 None
 1.09A 1cetA-4pq1A:
undetectable		 1cetA-4pq1A:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pzc 3-HYDROXYACYL-COA
DEHYDROGENASE

(Cupriavidus
necator) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A  10
ASP A  33
ILE A  34
ALA A  90
ILE A 100
 None
 1.18A 1cetA-4pzcA:
9.5		 1cetA-4pzcA:
23.26
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.
4pzc 3-HYDROXYACYL-COA
DEHYDROGENASE

(Cupriavidus
necator) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 VAL A   9
GLY A  10
ASP A  33
ILE A  34
ALA A  90
 None
 0.38A 1cetA-4pzcA:
9.5		 1cetA-4pzcA:
23.26
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.
4pzc 3-HYDROXYACYL-COA
DEHYDROGENASE

(Cupriavidus
necator) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 VAL A   9
GLY A  10
ASP A  33
ILE A  34
TYR A  77
 None
 0.97A 1cetA-4pzcA:
9.5		 1cetA-4pzcA:
23.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4q3n MGS-M5

(unidentified) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 VAL A   9
GLY A  10
ASP A  35
ILE A  36
ALA A  79
ILE A  99
 None
CL  A 402 ( 4.1A)
None
None
None
None
 0.70A 1cetA-4q3nA:
41.7		 1cetA-4q3nA:
32.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4q3n MGS-M5

(unidentified) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 VAL A   9
GLY A  10
ASP A  35
ILE A  36
TYR A  66
ALA A  79
 None
CL  A 402 ( 4.1A)
None
None
GOL  A 415 (-4.5A)
None
 0.78A 1cetA-4q3nA:
41.7		 1cetA-4q3nA:
32.73
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.
4r1n 3-HYDROXYBUTYRYL-COA
DEHYDROGENASE

(Clostridium
butyricum) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A   8
ASP A  31
ILE A  32
ALA A  88
ILE A  89
 None
 1.19A 1cetA-4r1nA:
11.2		 1cetA-4r1nA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgb CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  27
ASP A  51
ILE A  52
ALA A 117
ILE A 139
 NAD  A 301 (-3.5A)
NAD  A 301 (-2.7A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.5A)
NAD  A 301 ( 3.9A)
 0.85A 1cetA-4rgbA:
8.8		 1cetA-4rgbA:
25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uyp CELLULOSOMAL
SCAFFOLDIN ANCHORING
PROTEIN C

(Acetivibrio
cellulolyticus) 		PF00963
(Cohesin) 		5 VAL A 100
GLY A  14
TYR A 110
ALA A  13
GLU A 108
 None
 1.19A 1cetA-4uypA:
undetectable		 1cetA-4uypA:
18.30
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.
4yai C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 GLY A  12
ASP A  36
ILE A  37
ALA A  92
ILE A 114
 NAI  A 500 (-2.8A)
NAI  A 500 (-2.2A)
NAI  A 500 (-3.7A)
NAI  A 500 (-3.7A)
NAI  A 500 (-3.4A)
 0.88A 1cetA-4yaiA:
8.2		 1cetA-4yaiA:
22.99
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.
4yj5 PYRUVATE KINASE PKM

(Homo sapiens) 		PF00224
(PK)
PF02887
(PK_C) 		5 VAL A 509
GLY A 426
ALA A 427
PHE A 470
ILE A 451
 None
None
None
SER  A 603 (-4.3A)
None
 0.97A 1cetA-4yj5A:
3.0		 1cetA-4yj5A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zgc KELCH PROTEIN

(Plasmodium
falciparum) 		PF01344
(Kelch_1)
PF02214
(BTB_2)
PF13418
(Kelch_4) 		5 VAL A 356
GLY A 357
ASP A 397
TYR A 435
GLU A 431
 None
 1.13A 1cetA-4zgcA:
undetectable		 1cetA-4zgcA:
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.
5fhy B-TYPE FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 2

(Pseudomonas
aeruginosa) 		PF07195
(FliD_C)
PF07196
(Flagellin_IN) 		5 VAL A 255
GLY A 254
ASP A 253
TYR A  95
ALA A  90
 None
 0.93A 1cetA-5fhyA:
undetectable		 1cetA-5fhyA:
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.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 VAL B 323
GLY B 325
ALA B 327
PHE B 429
ILE B 376
 None
 1.19A 1cetA-5hb4B:
undetectable		 1cetA-5hb4B:
12.22
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.
5l3s SIGNAL RECOGNITION
PARTICLE 54 KDA
PROTEIN

(Sulfolobus
solfataricus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLY A 240
ASP A 213
ILE A  99
PHE A 269
ILE A 243
 None
 1.20A 1cetA-5l3sA:
3.4		 1cetA-5l3sA:
21.51
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.
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2

(Homo sapiens) 		no annotation 5 VAL B 410
GLY B 409
ILE B 456
TYR B 450
PHE B 468
 None
 1.17A 1cetA-5ofbB:
undetectable		 1cetA-5ofbB:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ulv MALATE DEHYDROGENASE

(Methylobacterium
extorquens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  10
ASP A  34
ILE A  35
TYR A  66
ALA A  79
 None
 0.43A 1cetA-5ulvA:
44.5		 1cetA-5ulvA:
44.48
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.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		5 VAL A 301
GLY A 300
ALA A 304
ILE A 168
GLU A 165
 None
 1.03A 1cetA-5w8oA:
undetectable		 1cetA-5w8oA:
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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 VAL A  65
GLY A  66
ASP A  90
ILE A  91
ALA A 139
 None
SAM  A 301 (-3.5A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.5A)
 0.50A 1cetA-5x7fA:
4.3		 1cetA-5x7fA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x8h SHORT-CHAIN
DEHYDROGENASE
REDUCTASE

(Chryseobacterium
sp. CA49) 		no annotation 5 GLY A  13
ASP A  37
ILE A  38
ALA A  91
ILE A 114
 None
 0.87A 1cetA-5x8hA:
10.0		 1cetA-5x8hA:
26.89
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.
6aoo MALATE DEHYDROGENASE

(Haemophilus
influenzae) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A   7
ASP A  34
ILE A  35
ALA A  77
ILE A  97
 None
 0.63A 1cetA-6aooA:
32.7		 1cetA-6aooA:
29.92