SIMILAR PATTERNS OF AMINO ACIDS FOR 6EXI_D_ADND503

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.
1a5z L-LACTATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  28
GLY A  30
VAL A  54
ASP A  55
ILE A 123
 NAD  A 352 (-3.6A)
NAD  A 352 (-2.6A)
NAD  A 352 (-4.4A)
None
None
 0.73A 6exiC-1a5zA:
4.3
6exiD-1a5zA:
5.0		 6exiC-1a5zA:
14.87
6exiD-1a5zA:
14.87
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.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  16
GLY A  18
GLU A  39
THR A 147
ASN A 277
 FAD  A 462 (-3.4A)
FAD  A 462 (-3.3A)
FAD  A 462 (-2.5A)
FAD  A 462 (-4.0A)
None
 0.90A 6exiC-1ebdA:
4.1
6exiD-1ebdA:
4.5		 6exiC-1ebdA:
11.26
6exiD-1ebdA:
11.26
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.
1k4q GLUTATHIONE
REDUCTASE

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  27
GLY A  29
GLU A  50
THR A 156
ASN A 294
 FAD  A 499 (-3.3A)
FAD  A 499 (-3.3A)
FAD  A 499 (-2.8A)
FAD  A 499 (-3.9A)
FAD  A 499 ( 4.5A)
 0.70A 6exiC-1k4qA:
3.9
6exiD-1k4qA:
4.7		 6exiC-1k4qA:
9.11
6exiD-1k4qA:
9.11
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.
1ko0 DIAMINOPIMELATE
DECARBOXYLASE

(Escherichia
coli) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLY A 376
GLY A 379
SER A 277
ASN A  58
ILE A  61
 None
 1.15A 6exiC-1ko0A:
undetectable
6exiD-1ko0A:
undetectable		 6exiC-1ko0A:
13.20
6exiD-1ko0A:
13.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 260
GLY A 306
ASP A 303
THR A 277
ASN A 274
 None
None
CA  A 702 (-3.4A)
None
None
 1.16A 6exiC-1lrwA:
undetectable
6exiD-1lrwA:
undetectable		 6exiC-1lrwA:
10.19
6exiD-1lrwA:
10.19
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.
1r4n UBIQUITIN-ACTIVATING
ENZYME E1C

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind) 		5 GLY B 144
GLY B  55
ASP B 146
ASN B 296
ILE B 299
 None
ATP  B   5 ( 4.0A)
ATP  B   5 (-2.9A)
None
None
 1.12A 6exiC-1r4nB:
4.6
6exiD-1r4nB:
4.4		 6exiC-1r4nB:
14.43
6exiD-1r4nB:
14.43
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.
1tve HOMOSERINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 GLY A  12
GLY A  14
GLU A  40
THR A  93
ILE A  98
 None
 0.68A 6exiC-1tveA:
2.5
6exiD-1tveA:
2.5		 6exiC-1tveA:
17.13
6exiD-1tveA:
17.13
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.
1u7h ORNITHINE
CYCLODEAMINASE

(Pseudomonas
putida) 		PF02423
(OCD_Mu_crystall) 		5 GLY A 136
GLY A 138
ASP A 163
THR A 202
ILE A 210
 NAD  A 802 ( 3.8A)
NAD  A 802 (-3.3A)
None
NAD  A 802 (-4.1A)
None
 0.31A 6exiC-1u7hA:
6.9
6exiD-1u7hA:
11.7		 6exiC-1u7hA:
13.16
6exiD-1u7hA:
13.16
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.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 GLY A 264
GLY A 266
GLU A 287
ASP A 289
CYH A 292
THR A 320
ASN A 322
 NAD  A 501 (-3.6A)
NAD  A 501 (-3.5A)
NAD  A 501 (-2.9A)
NAD  A 501 (-4.9A)
NAD  A 501 (-3.4A)
NAD  A 501 (-3.8A)
NAD  A 501 (-3.8A)
 0.19A 6exiC-1v8bA:
55.8
6exiD-1v8bA:
55.0		 6exiC-1v8bA:
11.36
6exiD-1v8bA:
11.36
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.
1we8 TUDOR AND KH DOMAIN
CONTAINING PROTEIN

(Mus musculus) 		PF00013
(KH_1) 		5 GLY A  45
SER A  44
GLU A  72
VAL A  73
ILE A  48
 None
 1.08A 6exiC-1we8A:
undetectable
6exiD-1we8A:
undetectable		 6exiC-1we8A:
19.61
6exiD-1we8A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		6 GLY A 169
GLY A 171
GLU A 192
VAL A 193
ASP A 194
THR A 260
 NAD  A 600 ( 3.8A)
NAD  A 600 (-3.3A)
NAD  A 600 (-2.7A)
NAD  A 600 (-4.1A)
None
NAD  A 600 (-4.4A)
 0.49A 6exiC-1x87A:
7.5
6exiD-1x87A:
7.5		 6exiC-1x87A:
10.32
6exiD-1x87A:
10.32
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.
1y56 SARCOSINE OXIDASE

(Pyrococcus
horikoshii) 		PF01266
(DAO) 		5 GLY B  12
GLY B  14
GLU B  35
THR B 201
ILE B 208
 FAD  B 800 (-3.3A)
FAD  B 800 (-3.3A)
FAD  B 800 (-2.7A)
FAD  B 800 (-4.2A)
None
 0.55A 6exiC-1y56B:
undetectable
6exiD-1y56B:
undetectable		 6exiC-1y56B:
12.20
6exiD-1y56B:
12.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yb2 HYPOTHETICAL PROTEIN
TA0852

(Thermoplasma
acidophilum) 		PF08704
(GCD14) 		5 GLY A  98
GLY A 100
GLU A 122
ASP A 124
ILE A 151
 None
 1.19A 6exiC-1yb2A:
4.5
6exiD-1yb2A:
3.5		 6exiC-1yb2A:
16.17
6exiD-1yb2A:
16.17
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.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  11
GLY A  13
GLU A  34
THR A 146
ASN A 272
 FAD  A 666 (-3.2A)
FAD  A 666 (-3.4A)
FAD  A 666 (-2.5A)
FAD  A 666 (-3.8A)
SO4  A2002 (-3.8A)
 0.89A 6exiC-1zk7A:
3.8
6exiD-1zk7A:
4.1		 6exiC-1zk7A:
10.28
6exiD-1zk7A:
10.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		5 GLY A  64
GLY A  66
GLU A  85
ASP A  87
ILE A 133
 SAM  A4000 (-3.1A)
SAM  A4000 (-3.2A)
SAM  A4000 (-2.8A)
None
SAM  A4000 ( 4.5A)
 1.17A 6exiC-1zq9A:
3.3
6exiD-1zq9A:
3.2		 6exiC-1zq9A:
13.52
6exiD-1zq9A:
13.52
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.
2a6v EMP46P

(Saccharomyces
cerevisiae) 		PF03388
(Lectin_leg-like) 		5 GLY A 105
VAL A  38
ASP A  36
THR A 202
ILE A 215
 None
 1.16A 6exiC-2a6vA:
undetectable
6exiD-2a6vA:
undetectable		 6exiC-2a6vA:
17.90
6exiD-2a6vA:
17.90
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.
2a6v EMP46P

(Saccharomyces
cerevisiae) 		PF03388
(Lectin_leg-like) 		5 GLY A 106
VAL A  38
ASP A  36
THR A 202
ILE A 215
 None
 1.16A 6exiC-2a6vA:
undetectable
6exiD-2a6vA:
undetectable		 6exiC-2a6vA:
17.90
6exiD-2a6vA:
17.90
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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		5 GLN A 124
GLY A 168
GLY A 207
SER A 216
ASP A 191
 None
None
None
None
ZN  A 251 ( 2.4A)
 1.06A 6exiC-2a7mA:
undetectable
6exiD-2a7mA:
undetectable		 6exiC-2a7mA:
16.24
6exiD-2a7mA:
16.24
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.
2a8x DIHYDROLIPOYL
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  10
GLY A  12
GLU A  33
THR A 142
ASN A 272
 FAD  A 480 (-3.2A)
FAD  A 480 (-3.5A)
FAD  A 480 (-2.6A)
FAD  A 480 (-3.9A)
None
 0.89A 6exiC-2a8xA:
2.7
6exiD-2a8xA:
2.6		 6exiC-2a8xA:
11.33
6exiD-2a8xA:
11.33
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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLN A 114
GLY A   8
GLY A  13
THR A 111
ASN A 258
 None
FAD  A 601 (-3.1A)
None
FAD  A 601 (-4.1A)
FAD  A 601 ( 4.9A)
 1.19A 6exiC-2bc0A:
2.7
6exiD-2bc0A:
2.8		 6exiC-2bc0A:
9.83
6exiD-2bc0A:
9.83
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.
2db5 INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 GLY A  40
SER A  65
VAL A  61
ASP A  60
ILE A  31
 None
 1.09A 6exiC-2db5A:
undetectable
6exiD-2db5A:
undetectable		 6exiC-2db5A:
19.70
6exiD-2db5A:
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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		6 GLY A 170
GLY A 172
GLU A 193
VAL A 194
ASP A 195
THR A 261
 NAD  A5555 ( 4.0A)
NAD  A5555 (-3.3A)
NAD  A5555 (-2.8A)
NAD  A5555 (-4.4A)
None
NAD  A5555 (-4.4A)
 0.56A 6exiC-2fknA:
5.1
6exiD-2fknA:
7.9		 6exiC-2fknA:
9.83
6exiD-2fknA:
9.83
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.
2fqd BLUE COPPER OXIDASE
CUEO

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A  75
GLY A  71
ASP A  38
ASN A 217
ILE A 184
 None
 1.11A 6exiC-2fqdA:
undetectable
6exiD-2fqdA:
undetectable		 6exiC-2fqdA:
8.25
6exiD-2fqdA:
8.25
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 GLY A  73
GLU A  96
VAL A  97
ASP A  98
CYH A 101
 SAH  A 300 (-3.1A)
SAH  A 300 (-2.8A)
SAH  A 300 (-4.2A)
None
SAH  A 300 (-3.6A)
 0.39A 6exiC-2h00A:
4.5
6exiD-2h00A:
4.4		 6exiC-2h00A:
15.60
6exiD-2h00A:
15.60
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 GLY A  73
GLY A  75
VAL A  97
ASP A  98
CYH A 101
 SAH  A 300 (-3.1A)
SAH  A 300 (-3.6A)
SAH  A 300 (-4.2A)
None
SAH  A 300 (-3.6A)
 1.20A 6exiC-2h00A:
4.5
6exiD-2h00A:
4.4		 6exiC-2h00A:
15.60
6exiD-2h00A:
15.60
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.
2hxv DIAMINOHYDROXYPHOSPH
ORIBOSYLAMINOPYRIMID
INE DEAMINASE/
5-AMINO-6-(5-PHOSPHO
RIBOSYLAMINO)URACIL
REDUCTASE

(Thermotoga
maritima) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 GLY A 112
GLY A 110
GLU A  75
ASP A 104
ILE A  90
 None
 1.20A 6exiC-2hxvA:
undetectable
6exiD-2hxvA:
undetectable		 6exiC-2hxvA:
16.04
6exiD-2hxvA:
16.04
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.
2oap TYPE II SECRETION
SYSTEM PROTEIN

(Archaeoglobus
fulgidus) 		PF00437
(T2SSE) 		5 LYS 1 449
GLY 1 418
ASP 1 392
ASN 1 414
ILE 1 369
 None
 1.21A 6exiC-2oap1:
undetectable
6exiD-2oap1:
undetectable		 6exiC-2oap1:
10.92
6exiD-2oap1:
10.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		5 GLY A 152
GLY A 143
VAL A 191
ASP A 226
ILE A 168
 None
PLP  A 555 ( 4.1A)
None
PLP  A 555 (-2.9A)
None
 1.11A 6exiC-2pb0A:
undetectable
6exiD-2pb0A:
undetectable		 6exiC-2pb0A:
12.92
6exiD-2pb0A:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 GLY A   8
GLY A  10
GLU A  32
THR A 110
ASN A 242
 FAD  A 400 (-3.2A)
FAD  A 400 (-3.4A)
FAD  A 400 (-2.8A)
FAD  A 400 (-4.2A)
None
 0.90A 6exiC-2q0lA:
3.9
6exiD-2q0lA:
3.8		 6exiC-2q0lA:
12.70
6exiD-2q0lA:
12.70
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.
2q7v THIOREDOXIN
REDUCTASE

(Deinococcus
radiodurans) 		PF07992
(Pyr_redox_2) 		5 GLY A  15
GLY A  17
GLU A  38
THR A 119
ASN A 250
 FAD  A 348 (-3.3A)
FAD  A 348 (-3.4A)
FAD  A 348 (-2.7A)
FAD  A 348 (-3.8A)
FAD  A 348 ( 4.1A)
 0.73A 6exiC-2q7vA:
3.8
6exiD-2q7vA:
3.8		 6exiC-2q7vA:
13.49
6exiD-2q7vA:
13.49
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.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLY A 356
GLY A 359
SER A 268
ASN A  50
ILE A  53
 None
 1.09A 6exiC-2qghA:
2.8
6exiD-2qghA:
undetectable		 6exiC-2qghA:
11.25
6exiD-2qghA:
11.25
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.
2vlc TYPE 2
RIBOSOME-INACTIVATIN
G PROTEIN CINNAMOMIN
III

(Cinnamomum
camphora) 		PF00161
(RIP)
PF00652
(Ricin_B_lectin) 		5 LYS A 325
GLY A 311
VAL A 330
ASP A 329
ILE A 362
 None
 1.11A 6exiC-2vlcA:
undetectable
6exiD-2vlcA:
undetectable		 6exiC-2vlcA:
10.49
6exiD-2vlcA:
10.49
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.
2vr2 DIHYDROPYRIMIDINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 GLY A 270
ASP A 319
THR A 322
ASN A 381
ILE A 385
 None
 0.95A 6exiC-2vr2A:
undetectable
6exiD-2vr2A:
undetectable		 6exiC-2vr2A:
14.76
6exiD-2vr2A:
14.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A 319
GLY A 321
GLU A 342
VAL A 343
ILE A 409
 None
 0.63A 6exiC-2wtbA:
undetectable
6exiD-2wtbA:
4.0		 6exiC-2wtbA:
8.28
6exiD-2wtbA:
8.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xt0 HALOALKANE
DEHALOGENASE

(Plesiocystis
pacifica) 		PF00561
(Abhydrolase_1) 		5 GLY A 239
VAL A 140
ASP A 141
THR A 241
ILE A 264
 None
 1.07A 6exiC-2xt0A:
2.4
6exiD-2xt0A:
2.8		 6exiC-2xt0A:
20.93
6exiD-2xt0A:
20.93
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.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 GLN A 316
GLY A 335
GLY A 223
GLU A 224
ASP A 319
 None
 1.16A 6exiC-2ybuA:
undetectable
6exiD-2ybuA:
undetectable		 6exiC-2ybuA:
11.86
6exiD-2ybuA:
11.86
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.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		5 GLY A  75
ASP A 182
THR A  74
ASN A 247
ILE A 249
 None
 1.01A 6exiC-3bydA:
undetectable
6exiD-3bydA:
undetectable		 6exiC-3bydA:
17.07
6exiD-3bydA:
17.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 GLY A 282
GLY A 284
GLU A 305
ASP A 307
THR A 338
ASN A 340
ILE A 343
 NAD  A 550 ( 3.7A)
NAD  A 550 (-3.2A)
NAD  A 550 (-2.9A)
None
NAD  A 550 (-4.1A)
NAD  A 550 (-3.9A)
NAD  A 550 (-4.7A)
 0.19A 6exiC-3ce6A:
56.8
6exiD-3ce6A:
55.9		 6exiC-3ce6A:
60.71
6exiD-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 GLY A 219
GLY A 221
GLU A 242
VAL A 243
ASP A 244
THR A 275
ASN A 277
ILE A 280
 NAD  A 439 (-3.5A)
NAD  A 439 (-3.5A)
NAD  A 439 (-2.9A)
NAD  A 439 (-4.1A)
None
NAD  A 439 (-4.0A)
NAD  A 439 ( 4.4A)
NAD  A 439 (-4.7A)
 0.33A 6exiC-3g1uA:
54.1
6exiD-3g1uA:
53.5		 6exiC-3g1uA:
71.62
6exiD-3g1uA:
71.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 GLY A 263
GLY A 265
GLU A 286
ASP A 288
CYH A 291
THR A 319
ASN A 321
 NAD  A 601 (-3.6A)
NAD  A 601 (-3.2A)
NAD  A 601 (-2.9A)
NAD  A 601 (-4.9A)
NAD  A 601 (-3.4A)
NAD  A 601 (-4.1A)
NAD  A 601 (-3.9A)
 0.16A 6exiC-3glqA:
60.3
6exiD-3glqA:
59.2		 6exiC-3glqA:
61.11
6exiD-3glqA:
61.11
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.
3grp 3-OXOACYL-(ACYL
CARRIERPROTEIN)
REDUCTASE

(Bartonella
henselae) 		PF13561
(adh_short_C2) 		5 GLY A 211
GLY A 213
GLU A 215
ASN A 239
ILE A 205
 None
 1.20A 6exiC-3grpA:
8.7
6exiD-3grpA:
8.7		 6exiC-3grpA:
16.54
6exiD-3grpA:
16.54
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
GLY A  40
GLU A  59
ASP A  61
ILE A 106
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
None
SAM  A 300 ( 4.4A)
 1.04A 6exiC-3gryA:
3.7
6exiD-3gryA:
3.6		 6exiC-3gryA:
15.66
6exiD-3gryA:
15.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gvp ADENOSYLHOMOCYSTEINA
SE 3

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 GLY A 399
GLY A 401
GLU A 422
ASP A 424
CYH A 427
THR A 455
ASN A 457
 NAD  A 608 (-3.6A)
NAD  A 608 (-3.4A)
NAD  A 608 (-2.9A)
None
NAD  A 608 (-3.5A)
NAD  A 608 (-4.0A)
NAD  A 608 (-3.8A)
 0.25A 6exiC-3gvpA:
43.3
6exiD-3gvpA:
43.9		 6exiC-3gvpA:
51.25
6exiD-3gvpA:
51.25
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.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 GLY A 219
GLY A 221
GLU A 242
VAL A 243
ASP A 244
THR A 275
ASN A 277
ILE A 280
 NAD  A 438 ( 3.7A)
NAD  A 438 (-3.3A)
NAD  A 438 (-2.9A)
NAD  A 438 (-4.2A)
None
NAD  A 438 (-4.0A)
NAD  A 438 (-4.1A)
NAD  A 438 (-4.6A)
 0.18A 6exiC-3h9uA:
56.4
6exiD-3h9uA:
55.8		 6exiC-3h9uA:
13.65
6exiD-3h9uA:
13.65
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.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  12
GLY A  14
GLU A  35
THR A 141
ASN A 272
 FAD  A 490 (-3.1A)
FAD  A 490 (-3.2A)
FAD  A 490 (-2.8A)
FAD  A 490 (-4.0A)
FAD  A 490 ( 4.9A)
 0.78A 6exiC-3ic9A:
2.3
6exiD-3ic9A:
2.2		 6exiC-3ic9A:
15.12
6exiD-3ic9A:
15.12
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 219
GLY A 221
SER A 242
GLU A 243
THR A 288
 None
 0.65A 6exiC-3ip1A:
10.4
6exiD-3ip1A:
10.5		 6exiC-3ip1A:
11.06
6exiD-3ip1A:
11.06
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.
3jc6 DNA REPLICATION
COMPLEX GINS PROTEIN
PSF1

(Saccharomyces
cerevisiae) 		PF05916
(Sld5) 		5 GLY A   6
GLY A   3
CYH A  78
ASN A  39
ILE A  36
 None
 1.21A 6exiC-3jc6A:
undetectable
6exiD-3jc6A:
undetectable		 6exiC-3jc6A:
18.23
6exiD-3jc6A:
18.23
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.
3mp7 PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Pyrococcus
furiosus) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		5 GLY A 433
GLY A 431
THR A 434
ASN A 286
ILE A 289
 None
 1.15A 6exiC-3mp7A:
undetectable
6exiD-3mp7A:
undetectable		 6exiC-3mp7A:
12.27
6exiD-3mp7A:
12.27
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.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 GLY A 256
GLY A 258
GLU A 279
VAL A 280
ASP A 281
CYH A 284
THR A 312
ASN A 314
 NAD  A 550 (-3.6A)
NAD  A 550 (-3.3A)
NAD  A 550 (-2.8A)
NAD  A 550 (-4.2A)
None
NAD  A 550 (-3.5A)
NAD  A 550 (-4.0A)
NAD  A 550 (-4.1A)
 0.24A 6exiC-3n58A:
32.3
6exiD-3n58A:
59.9		 6exiC-3n58A:
14.32
6exiD-3n58A:
14.32
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.
3o0h GLUTATHIONE
REDUCTASE

(Bartonella
henselae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  12
GLY A  14
GLU A  35
THR A 141
ASN A 268
 FAD  A 500 (-3.2A)
FAD  A 500 (-3.3A)
FAD  A 500 (-2.6A)
FAD  A 500 (-3.9A)
FAD  A 500 ( 4.5A)
 0.83A 6exiC-3o0hA:
3.9
6exiD-3o0hA:
3.9		 6exiC-3o0hA:
10.96
6exiD-3o0hA:
10.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 GLY A 269
GLY A 271
GLU A 292
ASP A 294
CYH A 297
THR A 325
ASN A 327
ILE A 330
 NAD  A 501 (-3.6A)
NAD  A 501 (-3.2A)
NAD  A 501 (-2.9A)
None
NAD  A 501 (-3.5A)
NAD  A 501 (-4.0A)
NAD  A 501 (-3.9A)
NAD  A 501 (-4.8A)
 0.19A 6exiC-3oneA:
56.5
6exiD-3oneA:
55.7		 6exiC-3oneA:
64.20
6exiD-3oneA:
64.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r7t ADENYLOSUCCINATE
SYNTHETASE

(Campylobacter
jejuni) 		PF00709
(Adenylsucc_synt) 		5 GLY A   9
GLY A 221
GLU A  15
ASP A  14
ILE A   7
 None
None
None
CIT  A 421 ( 4.1A)
None
 0.97A 6exiC-3r7tA:
undetectable
6exiD-3r7tA:
undetectable		 6exiC-3r7tA:
12.71
6exiD-3r7tA:
12.71
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.
3wcx SPHINGOMYELINASE C

(Streptomyces
griseocarneus) 		PF03372
(Exo_endo_phos) 		5 GLY A 172
GLY A 141
ASP A 166
THR A 190
ILE A 215
 None
 1.17A 6exiC-3wcxA:
undetectable
6exiD-3wcxA:
undetectable		 6exiC-3wcxA:
12.64
6exiD-3wcxA:
12.64
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.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 237
GLY A 235
VAL A  16
THR A 240
ILE A  78
 None
 1.15A 6exiC-3wsvA:
5.2
6exiD-3wsvA:
5.2		 6exiC-3wsvA:
13.18
6exiD-3wsvA:
13.18
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.
4a0s OCTENOYL-COA
REDUCTASE/CARBOXYLAS
E

(Streptomyces
cinnabarigriseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 114
GLY A 165
SER A  72
THR A  78
ILE A  74
 None
 1.20A 6exiC-4a0sA:
8.5
6exiD-4a0sA:
8.5		 6exiC-4a0sA:
11.56
6exiD-4a0sA:
11.56
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.
4aah METHANOL
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF13360
(PQQ_2) 		5 GLY A 254
GLY A 300
ASP A 297
THR A 271
ASN A 268
 None
None
CA  A 702 (-3.6A)
None
None
 1.17A 6exiC-4aahA:
undetectable
6exiD-4aahA:
undetectable		 6exiC-4aahA:
9.09
6exiD-4aahA:
9.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		5 GLY A 460
VAL A 452
ASP A 456
THR A 459
ILE A 539
 None
 1.07A 6exiC-4fj6A:
undetectable
6exiD-4fj6A:
undetectable		 6exiC-4fj6A:
9.54
6exiD-4fj6A:
9.54
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.
4h0p ACETATE KINASE

(Cryptococcus
neoformans) 		PF00871
(Acetate_kinase) 		5 GLY A 251
GLY A 292
SER A 223
THR A 300
ASN A 301
 None
 1.13A 6exiC-4h0pA:
undetectable
6exiD-4h0pA:
undetectable		 6exiC-4h0pA:
11.29
6exiD-4h0pA:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 GLY A 239
GLY A 241
GLU A 261
ASP A 263
THR A 305
 AGS  A 502 (-3.3A)
AGS  A 502 (-3.1A)
AGS  A 502 (-2.4A)
None
AGS  A 502 (-4.1A)
 0.77A 6exiC-4j9vA:
9.0
6exiD-4j9vA:
9.0		 6exiC-4j9vA:
9.66
6exiD-4j9vA:
9.66
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.
4jo0 CMLA

(Streptomyces
venezuelae) 		PF12706
(Lactamase_B_2) 		5 GLY A 460
GLY A 428
THR A 405
ASN A 406
ILE A 407
 None
 1.08A 6exiC-4jo0A:
undetectable
6exiD-4jo0A:
undetectable		 6exiC-4jo0A:
11.14
6exiD-4jo0A:
11.14
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.
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii) 		PF00398
(RrnaAD) 		5 GLY A  50
GLY A  52
GLU A  72
ASP A  74
CYH A  77
 None
 1.07A 6exiC-4jxjA:
4.9
6exiD-4jxjA:
4.4		 6exiC-4jxjA:
19.76
6exiD-4jxjA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jz7 CARBAMATE KINASE

(Giardia
intestinalis) 		PF00696
(AA_kinase) 		5 GLY A 196
GLY A  54
ASP A 217
THR A 193
ILE A 174
 None
ANP  A1001 ( 4.6A)
None
None
None
 0.89A 6exiC-4jz7A:
2.5
6exiD-4jz7A:
undetectable		 6exiC-4jz7A:
14.61
6exiD-4jz7A:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kw5 OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 GLN A 100
GLY A  55
GLY A  57
THR A 122
ASN A  97
 None
FAD  A 501 (-3.1A)
FAD  A 501 (-3.2A)
FAD  A 501 (-2.9A)
None
 1.10A 6exiC-4kw5A:
undetectable
6exiD-4kw5A:
undetectable		 6exiC-4kw5A:
9.37
6exiD-4kw5A:
9.37
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.
4kzp OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF00106
(adh_short) 		5 GLY A  29
GLY A  35
THR A  28
ASN A 105
ILE A  81
 GOL  A 407 (-3.3A)
None
None
None
None
 1.22A 6exiC-4kzpA:
7.7
6exiD-4kzpA:
7.7		 6exiC-4kzpA:
18.73
6exiD-4kzpA:
18.73
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.
4lrs ACETALDEHYDE
DEHYDROGENASE

(Thermomonospora
curvata) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 GLY B  30
GLY B  32
VAL B  56
ASP B  57
THR B  95
 NAD  B 401 (-3.3A)
NAD  B 401 (-3.2A)
NAD  B 401 (-4.3A)
None
NAD  B 401 (-4.1A)
 0.66A 6exiC-4lrsB:
7.4
6exiD-4lrsB:
7.4		 6exiC-4lrsB:
16.48
6exiD-4lrsB:
16.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 GLY A 261
GLY A 263
SER A 283
GLU A 284
VAL A 285
ASP A 286
CYH A 289
THR A 317
ASN A 319
ILE A 322
 NAD  A 503 ( 3.8A)
NAD  A 503 (-3.2A)
NAD  A 503 ( 3.7A)
NAD  A 503 (-2.9A)
NAD  A 503 (-4.3A)
None
NAD  A 503 (-3.6A)
NAD  A 503 (-4.1A)
NAD  A 503 (-4.0A)
NAD  A 503 (-4.7A)
 0.16A 6exiC-4lvcA:
64.4
6exiD-4lvcA:
63.1		 6exiC-4lvcA:
100.00
6exiD-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 GLY A 261
GLY A 266
SER A 283
THR A 317
ASN A 319
ILE A 322
 NAD  A 503 ( 3.8A)
None
NAD  A 503 ( 3.7A)
NAD  A 503 (-4.1A)
NAD  A 503 (-4.0A)
NAD  A 503 (-4.7A)
 1.12A 6exiC-4lvcA:
64.4
6exiD-4lvcA:
63.1		 6exiC-4lvcA:
100.00
6exiD-4lvcA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mgg MUCONATE LACTONIZING
ENZYME

(Labrenzia
aggregata) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 296
GLU A  49
VAL A  35
CYH A  51
ILE A 352
 None
 1.21A 6exiC-4mggA:
undetectable
6exiD-4mggA:
2.2		 6exiC-4mggA:
11.86
6exiD-4mggA:
11.86
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.
4mo9 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 GLY A  46
GLY A  44
GLU A 317
VAL A 318
ILE A 144
 None
 0.96A 6exiC-4mo9A:
3.0
6exiD-4mo9A:
2.8		 6exiC-4mo9A:
14.33
6exiD-4mo9A:
14.33
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.
4qg5 PUTATIVE
PHOSPHOGLUCOMUTASE

(Leishmania
major) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A 227
GLY A 224
VAL A 219
ASP A 220
ILE A 233
 None
 1.10A 6exiC-4qg5A:
2.1
6exiD-4qg5A:
undetectable		 6exiC-4qg5A:
10.33
6exiD-4qg5A:
10.33
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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 GLY B 288
GLY B 334
ASP B 331
THR B 305
ASN B 302
 None
None
CA  B 701 ( 3.1A)
None
None
 1.19A 6exiC-4tqoB:
undetectable
6exiD-4tqoB:
undetectable		 6exiC-4tqoB:
10.45
6exiD-4tqoB:
10.45
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.
4uaq PROTEIN TRANSLOCASE
SUBUNIT SECA 2

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 GLN A 347
GLY A 362
GLY A 234
GLU A 363
THR A 361
 None
 1.21A 6exiC-4uaqA:
undetectable
6exiD-4uaqA:
undetectable		 6exiC-4uaqA:
8.42
6exiD-4uaqA:
8.42
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.
4xko HEAT SHOCK COGNATE
90 KDA PROTEIN

(Dictyostelium
discoideum) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 GLY A 127
GLY A 122
GLU A  36
VAL A  32
ILE A  22
 None
 1.12A 6exiC-4xkoA:
undetectable
6exiD-4xkoA:
undetectable		 6exiC-4xkoA:
16.09
6exiD-4xkoA:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yt2 H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ1338

(Methanocaldococcus
jannaschii) 		PF03201
(HMD) 		5 GLY A  18
GLY A  20
GLU A  61
THR A 100
ILE A 109
 None
 0.98A 6exiC-4yt2A:
4.8
6exiD-4yt2A:
4.8		 6exiC-4yt2A:
15.86
6exiD-4yt2A:
15.86
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.
4yte H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ0715

(Methanocaldococcus
jannaschii) 		no annotation 5 GLY A   7
GLY A   9
SER A  49
GLU A  50
ILE A  98
 None
 0.84A 6exiC-4yteA:
8.7
6exiD-4yteA:
8.5		 6exiC-4yteA:
21.60
6exiD-4yteA:
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.
4z43 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE PRNA

(Pseudomonas
fluorescens) 		PF04820
(Trp_halogenase) 		5 GLY A  48
GLY A  46
GLU A  49
ASP A 163
ILE A 350
 FAD  A 601 (-3.4A)
None
None
None
FAD  A 601 (-3.2A)
 1.21A 6exiC-4z43A:
2.2
6exiD-4z43A:
undetectable		 6exiC-4z43A:
9.30
6exiD-4z43A:
9.30
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.
5dmx D-ALANINE--D-ALANINE
LIGASE

(Acinetobacter
baumannii) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 GLY A  88
GLY A  90
VAL A 272
THR A  87
ILE A 299
 None
 1.13A 6exiC-5dmxA:
undetectable
6exiD-5dmxA:
undetectable		 6exiC-5dmxA:
15.06
6exiD-5dmxA:
15.06
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.
5fms INTRAFLAGELLAR
TRANSPORT PROTEIN 52
HOMOLOG

(Mus musculus) 		PF09822
(ABC_transp_aux) 		5 GLY A 215
GLY A  88
VAL A  85
CYH A 217
ILE A 108
 None
 1.17A 6exiC-5fmsA:
2.2
6exiD-5fmsA:
3.2		 6exiC-5fmsA:
18.64
6exiD-5fmsA:
18.64
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.
5k66 NTA1P

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		5 GLY A 442
GLY A 440
ASP A 289
ASN A 224
ILE A 400
 None
 1.17A 6exiC-5k66A:
undetectable
6exiD-5k66A:
undetectable		 6exiC-5k66A:
12.07
6exiD-5k66A:
12.07
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.
5kym 1-ACYL-SN-GLYCEROL-3
-PHOSPHATE
ACYLTRANSFERASE

(Thermotoga
maritima) 		PF01553
(Acyltransferase) 		5 GLY A 205
VAL A  64
ASP A  63
THR A 191
ILE A 188
 None
 1.16A 6exiC-5kymA:
undetectable
6exiD-5kymA:
undetectable		 6exiC-5kymA:
14.63
6exiD-5kymA:
14.63
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.
5t57 SEMIALDEHYDE
DEHYDROGENASE
NAD-BINDING PROTEIN

(Cupriavidus
necator) 		PF03807
(F420_oxidored)
PF16896
(PGDH_C) 		5 GLY A   9
GLY A  12
GLU A  33
VAL A  34
ILE A  75
 NAD  A 301 (-3.4A)
NAD  A 301 (-3.2A)
NAD  A 301 (-2.7A)
NAD  A 301 (-4.4A)
NAD  A 301 (-4.2A)
 0.71A 6exiC-5t57A:
3.7
6exiD-5t57A:
3.7		 6exiC-5t57A:
14.64
6exiD-5t57A:
14.64
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.
5tem 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Vibrio
vulnificus) 		no annotation 5 GLY C   8
GLY C  11
SER C  33
GLU C  34
THR C  76
 NAD  C1001 (-3.4A)
NAD  C1001 (-3.3A)
NAD  C1001 (-3.4A)
NAD  C1001 (-2.9A)
NAD  C1001 (-3.8A)
 0.56A 6exiC-5temC:
7.5
6exiD-5temC:
7.4		 6exiC-5temC:
15.47
6exiD-5temC:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tov ADENOSYLHOMOCYSTEINA
SE

(Thermotoga
maritima) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 203
GLY A 205
GLU A 226
VAL A 227
ASP A 228
 None
 0.26A 6exiC-5tovA:
25.1
6exiD-5tovA:
12.3		 6exiC-5tovA:
13.37
6exiD-5tovA:
13.37
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.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 GLY A 275
GLY A 277
GLU A 298
ASP A 300
CYH A 303
THR A 331
ASN A 333
 NAD  A 501 (-3.6A)
NAD  A 501 (-3.3A)
NAD  A 501 (-2.7A)
None
NAD  A 501 (-3.5A)
NAD  A 501 (-4.1A)
NAD  A 501 (-3.7A)
 0.32A 6exiC-5utuA:
53.6
6exiD-5utuA:
52.9		 6exiC-5utuA:
9.38
6exiD-5utuA:
9.38
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.
5v36 GLUTATHIONE
REDUCTASE

(Streptococcus
mutans) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  11
GLY A  13
GLU A  34
THR A 139
ASN A 266
 FAD  A 501 (-3.2A)
FAD  A 501 (-3.3A)
FAD  A 501 (-2.7A)
FAD  A 501 (-4.0A)
None
 0.91A 6exiC-5v36A:
2.6
6exiD-5v36A:
2.9		 6exiC-5v36A:
12.06
6exiD-5v36A:
12.06
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.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 GLY A 261
GLY A 263
GLU A 284
ASP A 286
THR A 317
ASN A 319
ILE A 322
 NAD  A 501 (-3.6A)
NAD  A 501 (-3.1A)
NAD  A 501 (-2.8A)
None
NAD  A 501 (-4.1A)
NAD  A 501 (-3.9A)
NAD  A 501 (-4.8A)
 0.17A 6exiC-5v96A:
58.0
6exiD-5v96A:
57.4		 6exiC-5v96A:
13.09
6exiD-5v96A:
13.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 GLY A 220
GLY A 222
GLU A 243
ASP A 245
THR A 276
ILE A 281
 NAD  A 501 ( 3.7A)
NAD  A 501 (-3.3A)
NAD  A 501 (-2.8A)
None
NAD  A 501 (-3.8A)
NAD  A 501 (-4.8A)
 0.18A 6exiC-5w4bA:
48.4
6exiD-5w4bA:
49.1		 6exiC-5w4bA:
12.89
6exiD-5w4bA:
12.89
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.
5wbl REGULATORY-ASSOCIATE
D PROTEIN OF TOR 1

(Arabidopsis
thaliana) 		no annotation 5 GLN A1238
GLY A1172
GLY A1146
GLU A1147
THR A1174
 None
 1.07A 6exiC-5wblA:
3.9
6exiD-5wblA:
3.8		 6exiC-5wblA:
22.58
6exiD-5wblA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1y MERCURIC REDUCTASE

(Lysinibacillus
sphaericus) 		no annotation 5 GLY B  91
GLY B  93
GLU B 114
THR B 219
ASN B 350
 FAD  B 601 (-3.3A)
FAD  B 601 (-3.2A)
FAD  B 601 (-2.6A)
FAD  B 601 (-3.9A)
FAD  B 601 ( 4.1A)
 0.97A 6exiC-5x1yB:
3.3
6exiD-5x1yB:
4.2		 6exiC-5x1yB:
10.62
6exiD-5x1yB:
10.62
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.
5xm3 GLUCOSE
DEHYDROGENASE

(Methylophaga
aminisulfidivorans) 		no annotation 5 GLY A 291
GLY A 337
ASP A 334
THR A 308
ASN A 305
 None
None
MG  A 702 (-3.5A)
None
None
 1.20A 6exiC-5xm3A:
undetectable
6exiD-5xm3A:
undetectable		 6exiC-5xm3A:
17.58
6exiD-5xm3A:
17.58
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 GLY A  13
GLY A  17
SER A  35
VAL A 175
CYH A  10
 FAD  A 701 (-3.5A)
None
FAD  A 701 (-3.3A)
None
None
 0.83A 6exiC-5xmjA:
2.1
6exiD-5xmjA:
2.2		 6exiC-5xmjA:
23.17
6exiD-5xmjA:
23.17
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.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus) 		no annotation 5 GLN A 250
GLY A 111
GLY A 109
THR A  97
ILE A 113
 None
 1.01A 6exiC-5ywpA:
undetectable
6exiD-5ywpA:
undetectable		 6exiC-5ywpA:
25.00
6exiD-5ywpA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 GLY A 370
GLY A 106
SER A 371
THR A 108
ASN A 378
 None
 1.07A 6exiC-5z9sA:
2.4
6exiD-5z9sA:
2.2		 6exiC-5z9sA:
25.88
6exiD-5z9sA:
25.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 GLY A 225
GLY A 227
GLU A 248
ASP A 250
CYH A 253
THR A 281
ASN A 283
ILE A 286
 NAD  A 500 (-3.6A)
NAD  A 500 (-3.2A)
NAD  A 500 (-2.9A)
None
NAD  A 500 (-3.6A)
NAD  A 500 (-4.0A)
NAD  A 500 (-4.0A)
NAD  A 500 (-4.8A)
 0.20A 6exiC-6aphA:
29.4
6exiD-6aphA:
56.3		 6exiC-6aphA:
69.51
6exiD-6aphA:
69.51
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.
6b4o GLUTATHIONE
REDUCTASE

(Enterococcus
faecalis) 		no annotation 5 GLY A  10
GLY A  12
GLU A  33
THR A 138
ASN A 265
 FAD  A 501 (-3.3A)
FAD  A 501 (-3.3A)
FAD  A 501 (-2.6A)
FAD  A 501 (-3.9A)
FAD  A 501 ( 4.8A)
 0.83A 6exiC-6b4oA:
3.1
6exiD-6b4oA:
3.1		 6exiC-6b4oA:
13.04
6exiD-6b4oA:
13.04
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.
6b92 U6 SMALL NUCLEAR RNA
(ADENINE-(43)-N(6))-
METHYLTRANSFERASE

(Homo sapiens) 		no annotation 5 GLY A 110
GLU A 133
VAL A 134
ASP A 135
CYH A 138
 SAH  A 305 (-3.1A)
SAH  A 305 (-2.7A)
SAH  A 305 (-4.1A)
None
SAH  A 305 (-3.6A)
 0.37A 6exiC-6b92A:
6.9
6exiD-6b92A:
4.1		 6exiC-6b92A:
20.73
6exiD-6b92A:
20.73
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.
6b92 U6 SMALL NUCLEAR RNA
(ADENINE-(43)-N(6))-
METHYLTRANSFERASE

(Homo sapiens) 		no annotation 5 GLY A 110
GLY A 112
VAL A 134
ASP A 135
CYH A 138
 SAH  A 305 (-3.1A)
SAH  A 305 (-3.4A)
SAH  A 305 (-4.1A)
None
SAH  A 305 (-3.6A)
 1.15A 6exiC-6b92A:
6.9
6exiD-6b92A:
4.1		 6exiC-6b92A:
20.73
6exiD-6b92A:
20.73
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.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 GLY A  13
GLY A  41
GLU A  35
ASP A  37
ILE A  11
 FAD  A 502 ( 4.8A)
FAD  A 502 (-3.2A)
FAD  A 502 (-2.5A)
None
FAD  A 502 ( 4.9A)
 1.05A 6exiC-6cmzA:
3.2
6exiD-6cmzA:
3.7		 6exiC-6cmzA:
24.14
6exiD-6cmzA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 8 GLY B 228
GLY B 230
GLU B 251
VAL B 252
ASP B 253
CYH B 256
THR B 298
ASN B 300
 NAD  B 501 (-3.6A)
NAD  B 501 (-3.3A)
NAD  B 501 (-2.9A)
NAD  B 501 (-4.2A)
None
NAD  B 501 (-3.5A)
NAD  B 501 (-4.1A)
NAD  B 501 (-4.0A)
 0.27A 6exiC-6f3mB:
52.4
6exiD-6f3mB:
51.7		 6exiC-6f3mB:
undetectable
6exiD-6f3mB:
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.
6gbn -

(-) 		no annotation 8 GLY A 223
GLY A 225
GLU A 246
ASP A 248
CYH A 251
THR A 279
ASN A 281
ILE A 284
 NAD  A 502 ( 3.7A)
NAD  A 502 (-3.3A)
NAD  A 502 (-2.8A)
None
NAD  A 502 (-3.6A)
NAD  A 502 (-4.1A)
NAD  A 502 (-3.9A)
NAD  A 502 (-4.6A)
 0.15A 6exiC-6gbnA:
30.6
6exiD-6gbnA:
56.5		 6exiC-6gbnA:
undetectable
6exiD-6gbnA:
undetectable