SIMILAR PATTERNS OF AMINO ACIDS FOR 4OKN_B_KANB403_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Thermotoga
maritima) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 ASP A  53
VAL A  54
TYR A  85
ALA A  98
ARG A 115
ILE A 123
 NAD  A 352 (-2.7A)
NAD  A 352 (-4.4A)
None
NAD  A 352 (-3.7A)
None
None
 1.00A 4oknB-1a5zA:
41.6		 4oknB-1a5zA:
37.90
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 ASP A  52
VAL A  53
TYR A  83
ALA A  96
ILE A 116
ILE A 120
 NAD  A1352 (-3.0A)
NAD  A1352 (-4.3A)
None
NAD  A1352 (-3.5A)
NAD  A1352 (-3.8A)
NAD  A1352 ( 4.9A)
 0.46A 4oknB-1ez4A:
40.0		 4oknB-1ez4A:
36.13
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 ASP A  32
VAL A  33
TYR A  64
ALA A  77
ILE A  97
 NAD  A1306 (-3.0A)
NAD  A1306 (-4.4A)
None
NAD  A1306 ( 3.8A)
NAD  A1306 (-3.8A)
 0.64A 4oknB-1guzA:
41.4		 4oknB-1guzA:
36.31
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 ASP A  32
VAL A  33
TYR A  64
ALA A  77
ILE A  97
 NAD  A1306 (-3.1A)
NAD  A1306 (-4.2A)
None
NAD  A1306 (-3.6A)
NAD  A1306 (-4.1A)
 0.52A 4oknB-1gv0A:
39.9		 4oknB-1gv0A:
34.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ldm M4 LACTATE
DEHYDROGENASE

(Squalus
acanthias) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 ASP A  52
TYR A  83
ALA A  96
ARG A  99
ILE A 116
ILE A 120
 NAD  A 330 (-2.8A)
None
NAD  A 330 (-3.4A)
NAD  A 330 (-4.0A)
NAD  A 330 ( 4.1A)
None
 1.47A 4oknB-1ldmA:
47.1		 4oknB-1ldmA:
77.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ldm M4 LACTATE
DEHYDROGENASE

(Squalus
acanthias) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A  52
TYR A  83
ALA A  96
ARG A 112
ILE A 120
 NAD  A 330 (-2.8A)
None
NAD  A 330 (-3.4A)
None
None
 1.04A 4oknB-1ldmA:
47.1		 4oknB-1ldmA:
77.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ldm M4 LACTATE
DEHYDROGENASE

(Squalus
acanthias) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 ASP A  52
VAL A  53
TYR A  83
ALA A  96
ILE A 116
ILE A 120
 NAD  A 330 (-2.8A)
NAD  A 330 (-4.2A)
None
NAD  A 330 (-3.4A)
NAD  A 330 ( 4.1A)
None
 0.40A 4oknB-1ldmA:
47.1		 4oknB-1ldmA:
77.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ldn L-LACTATE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A  52
TYR A  83
ALA A  96
ILE A 116
ILE A 120
 NAD  A 352 (-2.9A)
None
NAD  A 352 (-3.4A)
NAD  A 352 ( 4.3A)
None
 0.63A 4oknB-1ldnA:
41.3		 4oknB-1ldnA:
36.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oyz HYPOTHETICAL PROTEIN
YIBA

(Escherichia
coli) 		PF13646
(HEAT_2) 		5 ALA A  44
ARG A 118
ILE A  77
PHE A  62
ILE A  73
 None
 1.40A 4oknB-1oyzA:
undetectable		 4oknB-1oyzA:
22.84
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) 		6 ASP A  52
VAL A  53
TYR A  83
ALA A  96
ARG A  99
ILE A 120
 NAD  A 401 (-2.5A)
NAD  A 401 (-4.4A)
None
NAD  A 401 ( 4.1A)
NAD  A 401 (-4.3A)
NAD  A 401 (-4.2A)
 1.33A 4oknB-1t2fA:
47.3		 4oknB-1t2fA:
75.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v6a L-LACTATE
DEHYDROGENASE A
CHAIN

(Cyprinus carpio) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		8 ASP A  52
VAL A  53
TYR A  83
ALA A  96
ARG A  99
ARG A 112
ILE A 116
ILE A 120
 TRE  A 334 (-2.5A)
TRE  A 334 ( 4.9A)
None
TRE  A 334 (-3.6A)
TRE  A 334 (-4.6A)
None
TRE  A 334 ( 4.6A)
None
 1.04A 4oknB-1v6aA:
51.3		 4oknB-1v6aA:
75.00
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.
1z0k GTP-BINDING PROTEIN

(Homo sapiens) 		PF00071
(Ras) 		5 ASP A 157
ALA A 161
ARG A 167
ILE A 117
PHE A 147
 None
 1.50A 4oknB-1z0kA:
5.3		 4oknB-1z0kA:
20.54
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.
1z45 GAL10 BIFUNCTIONAL
PROTEIN

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim)
PF16363
(GDP_Man_Dehyd) 		5 VAL A 315
ALA A 142
ARG A 191
ILE A 151
ILE A 149
 None
 1.31A 4oknB-1z45A:
8.3		 4oknB-1z45A:
20.31
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 ASP A  53
TYR A  85
ALA A  98
ILE A 119
ILE A 123
 None
 0.66A 4oknB-2hlpA:
39.9		 4oknB-2hlpA:
34.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ldx APO-LACTATE
DEHYDROGENASE

(Mus musculus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A  51
TYR A  82
ALA A  95
ILE A 115
ILE A 119
 None
 0.90A 4oknB-2ldxA:
44.4		 4oknB-2ldxA:
71.60
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.
2pef SERINE PROTEASE
INHIBITOR

(Caldanaerobacter
subterraneus) 		PF00079
(Serpin) 		5 VAL A 368
TYR A 267
ALA A 375
PHE A 274
ILE A 405
 None
 1.36A 4oknB-2pefA:
undetectable		 4oknB-2pefA:
24.48
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) 		7 ASP A  53
VAL A  54
TYR A  85
ALA A  98
ARG A 115
ILE A 119
ILE A 123
 None
 0.43A 4oknB-2v65A:
49.6		 4oknB-2v65A:
71.69
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.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		5 VAL A3831
ALA A3902
ARG A3841
ILE A3905
ILE A3928
 None
 1.23A 4oknB-2w5zA:
undetectable		 4oknB-2w5zA:
19.70
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.
2wsm HYDROGENASE
EXPRESSION/FORMATION
PROTEIN (HYPB)

(Archaeoglobus
fulgidus) 		PF02492
(cobW) 		5 VAL A 145
ALA A 181
ARG A 154
ILE A 159
ILE A 161
 None
 1.48A 4oknB-2wsmA:
3.2		 4oknB-2wsmA:
24.19
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) 		5 ASP A  53
TYR A  85
ALA A  98
ILE A 119
ILE A 123
 NAI  A1000 (-2.8A)
None
NAI  A1000 (-3.5A)
NAI  A1000 (-3.7A)
None
 0.77A 4oknB-2x0iA:
39.6		 4oknB-2x0iA:
35.86
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.
2yzr PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Methanocaldococcus
jannaschii) 		PF01680
(SOR_SNZ)
PF05690
(ThiG) 		5 TYR A 182
ALA A 189
ARG A 137
ILE A 224
ILE A 225
 None
None
CL  A 506 (-3.1A)
None
None
 1.36A 4oknB-2yzrA:
undetectable		 4oknB-2yzrA:
24.11
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.
3czm L-LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A  53
VAL A  54
TYR A  85
ALA A  98
ILE A 119
 NAD  A 401 (-2.9A)
NAD  A 401 (-4.2A)
None
NAD  A 401 (-3.4A)
NAD  A 401 (-3.9A)
 0.66A 4oknB-3czmA:
38.6		 4oknB-3czmA:
29.33
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.
3fy5 SEGMENT POLARITY
PROTEIN DISHEVELLED
HOMOLOG DVL-2

(Xenopus laevis) 		PF00595
(PDZ) 		5 VAL A 307
ALA A 320
ARG A 325
ILE A 269
ILE A 281
 None
 1.21A 4oknB-3fy5A:
undetectable		 4oknB-3fy5A:
13.12
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.
3g0t PUTATIVE
AMINOTRANSFERASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		5 VAL A 123
ARG A 293
ARG A 105
ILE A 273
ILE A 252
 None
 1.30A 4oknB-3g0tA:
2.4		 4oknB-3g0tA:
22.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h3j L-LACTATE
DEHYDROGENASE 1

(Staphylococcus
aureus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 ASP A  38
TYR A  69
ALA A  82
ARG A  85
ILE A 102
ILE A 106
 NAD  A 500 (-2.5A)
None
NAD  A 500 (-3.5A)
NAD  A 500 (-3.6A)
NAD  A 500 ( 4.5A)
NAD  A 500 ( 4.9A)
 1.28A 4oknB-3h3jA:
41.1		 4oknB-3h3jA:
38.81
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.
3hjw 50S RIBOSOMAL
PROTEIN L7AE

(Pyrococcus
furiosus) 		PF01248
(Ribosomal_L7Ae) 		5 VAL C 112
ALA C  20
ARG C  28
ILE C  53
ILE C  79
 None
 1.02A 4oknB-3hjwC:
undetectable		 4oknB-3hjwC:
18.65
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.
3kw2 PROBABLE R-RNA
METHYLTRANSFERASE

(Porphyromonas
gingivalis) 		PF04452
(Methyltrans_RNA) 		5 VAL A 232
ALA A 164
ARG A 223
ILE A 195
ILE A 193
 None
ADN  A 300 (-3.5A)
None
ADN  A 300 (-4.3A)
None
 1.41A 4oknB-3kw2A:
2.6		 4oknB-3kw2A:
22.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ldh LACTATE
DEHYDROGENASE

(Squalus
acanthias) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A  53
TYR A  85
ARG A 101
ILE A 119
ILE A 123
 NAD  A 332 (-2.7A)
None
NAD  A 332 (-2.8A)
NAD  A 332 ( 4.1A)
NAD  A 332 ( 4.8A)
 1.38A 4oknB-3ldhA:
39.3		 4oknB-3ldhA:
64.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ldh LACTATE
DEHYDROGENASE

(Squalus
acanthias) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A  53
VAL A  54
TYR A  85
ILE A 119
ILE A 123
 NAD  A 332 (-2.7A)
None
None
NAD  A 332 ( 4.1A)
NAD  A 332 ( 4.8A)
 0.74A 4oknB-3ldhA:
39.3		 4oknB-3ldhA:
64.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mtl CELL DIVISION
PROTEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 348
ALA A 440
ARG A 272
ARG A 279
ILE A 435
 None
 1.25A 4oknB-3mtlA:
undetectable		 4oknB-3mtlA:
26.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nfv ALGINATE LYASE

(Bacteroides
ovatus) 		PF05426
(Alginate_lyase) 		5 VAL A 246
ALA A 310
ILE A 265
PHE A 268
ILE A 317
 None
None
None
None
EDO  A 410 (-4.7A)
 1.49A 4oknB-3nfvA:
undetectable		 4oknB-3nfvA:
23.10
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 ASP A  53
VAL A  54
TYR A  85
ALA A  98
ILE A 119
ILE A 123
 NAD  A 701 (-2.9A)
NAD  A 701 (-4.1A)
None
NAD  A 701 (-3.4A)
NAD  A 701 (-3.6A)
None
 1.16A 4oknB-3om9A:
37.8		 4oknB-3om9A:
30.29
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) 		6 ASP A  37
VAL A  38
TYR A  68
ALA A  81
ILE A 101
ILE A 105
 None
 0.62A 4oknB-3pqdA:
42.6		 4oknB-3pqdA:
38.01
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.
3qld MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 200
ALA A 194
ARG A 184
ILE A 180
ILE A 171
 None
 1.21A 4oknB-3qldA:
undetectable		 4oknB-3qldA:
21.73
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.
3sgz HYDROXYACID OXIDASE
2

(Rattus
norvegicus) 		PF01070
(FMN_dh) 		5 TYR A 276
ALA A 151
ARG A 217
ILE A 220
ILE A 221
 None
 1.31A 4oknB-3sgzA:
undetectable		 4oknB-3sgzA:
21.70
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 ASP A  36
TYR A  70
ALA A  83
ILE A 103
ILE A 107
 EDO  A 315 (-3.3A)
EDO  A 315 (-4.6A)
EDO  A 315 ( 3.7A)
None
EDO  A 315 (-4.5A)
 0.36A 4oknB-3tl2A:
40.1		 4oknB-3tl2A:
34.71
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.
3v3t CELL DIVISION GTPASE
FTSZ, DIVERGED

(Clostridium
botulinum) 		PF00091
(Tubulin) 		5 TYR A  50
ALA A  69
ARG A  62
ILE A 104
ILE A  52
 None
 1.49A 4oknB-3v3tA:
5.3		 4oknB-3v3tA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Caenorhabditis
elegans) 		PF13649
(Methyltransf_25) 		5 ALA A 158
ARG A 153
ARG A 122
ILE A  71
ILE A 137
 None
None
SAH  A 701 (-4.0A)
SAH  A 701 (-4.6A)
None
 1.47A 4oknB-3wstA:
5.4		 4oknB-3wstA:
19.51
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.
3wtc PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF00106
(adh_short) 		5 ASP A  36
VAL A  37
ALA A  90
ILE A 112
ILE A  63
 None
 0.76A 4oknB-3wtcA:
9.9		 4oknB-3wtcA:
24.71
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 ASP A  34
TYR A  66
ALA A  79
ILE A  99
ILE A 103
 None
 0.63A 4oknB-4bguA:
40.0		 4oknB-4bguA:
32.45
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.
4hwi HEAT SHOCK COGNATE
71 KDA PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 ALA A 266
ARG A 261
ILE A 284
PHE A 293
ILE A 282
 None
 1.18A 4oknB-4hwiA:
2.3		 4oknB-4hwiA:
20.71
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) 		8 ASP A  51
VAL A  52
TYR A  82
ALA A  95
ARG A 111
ILE A 115
PHE A 118
ILE A 119
 1E7  A 401 (-3.4A)
1E7  A 401 (-4.3A)
None
1E7  A 401 (-3.5A)
1E7  A 401 (-4.3A)
1E7  A 401 (-4.2A)
1E7  A 401 (-4.6A)
1E7  A 401 (-4.7A)
 0.61A 4oknB-4i9uA:
50.7		 4oknB-4i9uA:
93.66
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.
4kg7 PEPTIDASE S8 AND
S53, SUBTILISIN,
KEXIN, SEDOLISIN

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 TYR A 113
ALA A 190
ARG A 151
ILE A 153
ILE A 155
 None
 0.97A 4oknB-4kg7A:
3.8		 4oknB-4kg7A:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lis UDP-GLUCOSE
4-EPIMERASE

(Aspergillus
nidulans) 		PF16363
(GDP_Man_Dehyd) 		5 VAL A 317
ALA A 135
ARG A 196
ILE A 144
ILE A 142
 None
None
GOL  A 403 ( 3.9A)
None
None
 1.37A 4oknB-4lisA:
7.3		 4oknB-4lisA:
21.61
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 ASP A  37
VAL A  38
TYR A  68
ALA A  81
ILE A 101
ILE A 105
 None
 0.68A 4oknB-4ln1A:
41.5		 4oknB-4ln1A:
38.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m1q L-LACTATE
DEHYDROGENASE

([Bacillus]
selenitireducens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A  37
TYR A  67
ALA A  80
ILE A 100
ILE A 104
 None
None
MPD  A 404 ( 4.2A)
MPD  A 404 (-3.4A)
None
 0.52A 4oknB-4m1qA:
42.5		 4oknB-4m1qA:
37.86
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.
4mkv RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Pisum sativum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 VAL A 313
ALA A  38
ARG A  41
PHE A 117
ILE A 120
 None
 1.20A 4oknB-4mkvA:
undetectable		 4oknB-4mkvA:
21.24
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.
4nqy ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
LARGE SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		5 VAL A 333
ALA A 413
ARG A 330
ILE A 325
ILE A 319
 None
 1.23A 4oknB-4nqyA:
undetectable		 4oknB-4nqyA:
20.04
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		5 ASP A 197
VAL A 196
ALA A 170
PHE A 150
ILE A 148
 None
 1.39A 4oknB-4oc9A:
2.3		 4oknB-4oc9A:
22.09
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) 		5 ASP A  39
VAL A  40
TYR A  71
ALA A  84
ILE A 109
 NAI  A 401 (-2.2A)
NAI  A 401 (-4.5A)
None
NAI  A 401 (-3.4A)
NAI  A 401 (-3.7A)
 0.91A 4oknB-4plfA:
38.7		 4oknB-4plfA:
32.86
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) 		5 ASP A  35
TYR A  66
ALA A  79
ARG A  95
ILE A  99
 None
GOL  A 415 (-4.5A)
None
None
None
 0.83A 4oknB-4q3nA:
42.5		 4oknB-4q3nA:
35.52
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.
4rwf MALTOSE TRANSPORTER
SUBUNIT, RECEPTOR
ACTIVITY-MODIFYING
PROTEIN 2,
CALCITONIN
GENE-RELATED PEPTIDE
TYPE 1 RECEPTOR
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF04901
(RAMP)
PF13416
(SBP_bac_8) 		5 VAL A 304
TYR A  92
ALA A 314
ARG A 318
ILE A 319
 None
 1.48A 4oknB-4rwfA:
undetectable		 4oknB-4rwfA:
20.64
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.
4wpg DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Streptococcus
pyogenes) 		PF04321
(RmlD_sub_bind) 		5 ASP A  30
VAL A  31
ALA A  58
ILE A  77
ILE A  36
 None
 0.68A 4oknB-4wpgA:
6.2		 4oknB-4wpgA:
24.79
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 5 TYR A   9
ALA A 376
ILE A 372
PHE A 393
ILE A 389
 None
 1.46A 4oknB-4xj6A:
undetectable		 4oknB-4xj6A:
20.62
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.
5c3u L-SERINE
AMMONIA-LYASE

(Rhizomucor
miehei) 		PF00291
(PALP) 		5 VAL A 309
ALA A 174
ARG A 295
ILE A 294
ILE A 203
 None
 1.27A 4oknB-5c3uA:
undetectable		 4oknB-5c3uA:
24.23
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.
5f1m PHOSPHORYLATED
PROTEIN PHOSPHATASE

(Staphylococcus
aureus) 		PF13672
(PP2C_2) 		5 VAL A 108
TYR A  25
ALA A   4
ILE A 238
ILE A  23
 None
 1.24A 4oknB-5f1mA:
undetectable		 4oknB-5f1mA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f6l HISTONE-LYSINE
N-METHYLTRANSFERASE
2A

(Homo sapiens) 		PF00856
(SET) 		5 VAL A3831
ALA A3902
ARG A3841
ILE A3905
ILE A3928
 None
 1.35A 4oknB-5f6lA:
undetectable		 4oknB-5f6lA:
17.52
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.
5h6b PUTATIVE SECRETED
LIPASE

(Streptomyces
sp. W007) 		PF01674
(Lipase_2) 		5 ASP A 228
ALA A 242
ARG A 217
ILE A 195
ILE A 235
 None
 1.33A 4oknB-5h6bA:
3.3		 4oknB-5h6bA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqp GLYCOSIDE HYDROLASE
BT_1002

(Bacteroides
thetaiotaomicron) 		no annotation 5 ASP A  30
ALA A  46
ARG A  60
ILE A  22
ILE A  24
 None
 1.46A 4oknB-5mqpA:
undetectable		 4oknB-5mqpA:
20.10
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.
5nil MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		PF00005
(ABC_tran)
PF02687
(FtsX)
PF12704
(MacB_PCD) 		5 VAL J 197
ALA J 158
ARG J 193
ARG J 131
ILE J  91
 None
 1.42A 4oknB-5nilJ:
undetectable		 4oknB-5nilJ:
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.
5tpm PYRUVATE
DEHYDROGENASE
COMPLEX REPRESSOR

(Escherichia
coli) 		PF07729
(FCD) 		5 ALA A 217
ARG A 223
ILE A 205
PHE A 206
ILE A 209
 None
 1.39A 4oknB-5tpmA:
undetectable		 4oknB-5tpmA:
19.23
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ASP A  64
ALA A  67
ARG A 165
ILE A 117
ILE A 103
 None
 1.38A 4oknB-5v9xA:
2.8		 4oknB-5v9xA:
10.54
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.
5w8q BIS3 BIPHENYL
SYNTHASE

(Malus domestica) 		no annotation 5 TYR A 260
ALA A 208
ARG A  48
ARG A  53
ILE A  54
 None
 1.31A 4oknB-5w8qA:
undetectable		 4oknB-5w8qA:
15.23
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.
5wgg RADICAL SAM DOMAIN
PROTEIN

(Ruminiclostridium
thermocellum) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 ASP A  27
VAL A  26
ALA A  61
ILE A  65
ILE A  33
 None
 0.96A 4oknB-5wggA:
3.1		 4oknB-5wggA:
21.66