SIMILAR PATTERNS OF AMINO ACIDS FOR 4FE1_A_PQNA846_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c8u ACYL-COA
THIOESTERASE II

(Escherichia
coli) 		PF13622
(4HBT_3) 		5 ALA A   4
LEU A   5
GLY A 186
ALA A  43
MET A 104
 None
 1.48A 4fe1A-1c8uA:
undetectable
4fe1J-1c8uA:
0.0		 4fe1A-1c8uA:
15.61
4fe1J-1c8uA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e4e VANCOMYCIN/TEICOPLAN
IN A-TYPE RESISTANCE
PROTEIN VANA

(Enterococcus
faecium) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 PHE B 112
SER B 115
GLY B 110
ALA B 218
MET B 322
 None
 1.45A 4fe1A-1e4eB:
0.0
4fe1J-1e4eB:
0.0		 4fe1A-1e4eB:
18.89
4fe1J-1e4eB:
8.04
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.
1eu8 TREHALOSE/MALTOSE
BINDING PROTEIN

(Thermococcus
litoralis) 		PF01547
(SBP_bac_1) 		5 SER A 288
ALA A 278
LEU A 126
GLY A 125
ALA A 343
 None
None
None
None
CL  A 413 (-3.0A)
 1.29A 4fe1A-1eu8A:
undetectable
4fe1J-1eu8A:
0.0		 4fe1A-1eu8A:
19.10
4fe1J-1eu8A:
9.32
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.
1gyt CYTOSOL
AMINOPEPTIDASE

(Escherichia
coli) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ARG A  48
LEU A  47
GLY A  50
ALA A 108
MET A 157
 None
 1.33A 4fe1A-1gytA:
0.0
4fe1J-1gytA:
0.0		 4fe1A-1gytA:
22.02
4fe1J-1gytA:
6.09
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.
1i2d ATP SULFURYLASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 PHE A 185
ARG A 192
TRP A 190
ALA A 219
ALA A 295
 None
None
None
None
ADX  A 574 (-4.5A)
 1.48A 4fe1A-1i2dA:
0.0
4fe1J-1i2dA:
0.0		 4fe1A-1i2dA:
20.54
4fe1J-1i2dA:
6.32
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.
1mus TN5 TRANSPOSASE

(Escherichia
coli) 		PF01609
(DDE_Tnp_1)
PF02281
(Dimer_Tnp_Tn5)
PF14706
(Tnp_DNA_bind) 		5 ARG A 431
ALA A 428
LEU A 432
GLY A 433
ALA A 465
 None
 1.20A 4fe1A-1musA:
0.0
4fe1J-1musA:
0.0		 4fe1A-1musA:
20.86
4fe1J-1musA:
8.24
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.
1mus TN5 TRANSPOSASE

(Escherichia
coli) 		PF01609
(DDE_Tnp_1)
PF02281
(Dimer_Tnp_Tn5)
PF14706
(Tnp_DNA_bind) 		5 ARG A 431
ALA A 428
LEU A 432
GLY A 433
ALA A 466
 None
 1.11A 4fe1A-1musA:
0.0
4fe1J-1musA:
0.0		 4fe1A-1musA:
20.86
4fe1J-1musA:
8.24
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 PHE A 140
SER A 142
ALA A 132
LEU A 135
GLY A 139
 None
 1.06A 4fe1A-1ogyA:
1.3
4fe1J-1ogyA:
0.0		 4fe1A-1ogyA:
21.33
4fe1J-1ogyA:
4.51
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.
1r76 PECTATE LYASE

(Niveispirillum
irakense) 		PF09492
(Pec_lyase) 		5 SER A 211
ALA A 238
LEU A 239
GLY A 217
ALA A 424
 None
 1.41A 4fe1A-1r76A:
0.0
4fe1J-1r76A:
0.0		 4fe1A-1r76A:
20.29
4fe1J-1r76A:
7.36
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.
1soi MUTT/NUDIX FAMILY
PROTEIN

(Deinococcus
radiodurans) 		PF00293
(NUDIX) 		5 ARG A 150
ALA A 146
LEU A 149
GLY A 153
ALA A 119
 SM  A 302 (-3.5A)
None
None
None
None
 1.36A 4fe1A-1soiA:
undetectable
4fe1J-1soiA:
0.0		 4fe1A-1soiA:
11.94
4fe1J-1soiA:
13.38
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.
1wdv HYPOTHETICAL PROTEIN
APE2540

(Aeropyrum
pernix) 		PF04073
(tRNA_edit) 		5 MET A  71
ARG A  80
ALA A  82
LEU A  81
ALA A  31
 None
 1.05A 4fe1A-1wdvA:
undetectable
4fe1J-1wdvA:
undetectable		 4fe1A-1wdvA:
12.73
4fe1J-1wdvA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wwp HYPOTHETICAL PROTEIN
TTHA0636

(Thermus
thermophilus) 		PF08780
(NTase_sub_bind) 		5 ARG A  64
ALA A  74
LEU A  69
GLY A  67
ALA A   5
 None
 1.13A 4fe1A-1wwpA:
undetectable
4fe1J-1wwpA:
undetectable		 4fe1A-1wwpA:
10.53
4fe1J-1wwpA:
17.54
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 PHE A 217
ALA A 230
LEU A 214
GLY A 215
ALA A 379
 None
 1.27A 4fe1A-1wytA:
undetectable
4fe1J-1wytA:
undetectable		 4fe1A-1wytA:
20.95
4fe1J-1wytA:
7.52
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 PHE A 127
SER A 154
ALA A 148
ALA A 204
MET A 201
 None
 1.46A 4fe1A-2cfzA:
undetectable
4fe1J-2cfzA:
undetectable		 4fe1A-2cfzA:
21.36
4fe1J-2cfzA:
4.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cuy MALONYL COA-[ACYL
CARRIER PROTEIN]
TRANSACYLASE

(Thermus
thermophilus) 		PF00698
(Acyl_transf_1) 		5 ALA A  34
LEU A  38
GLY A  40
ALA A 201
MET A 198
 None
 1.47A 4fe1A-2cuyA:
undetectable
4fe1J-2cuyA:
undetectable		 4fe1A-2cuyA:
17.08
4fe1J-2cuyA:
8.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dld D-LACTATE
DEHYDROGENASE

(Lactobacillus
helveticus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 MET A 165
PHE A 161
ALA A 174
GLY A 158
ALA A 244
 None
 1.23A 4fe1A-2dldA:
undetectable
4fe1J-2dldA:
undetectable		 4fe1A-2dldA:
17.58
4fe1J-2dldA:
7.72
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.
2epj GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Aeropyrum
pernix) 		PF00202
(Aminotran_3) 		5 ARG A 425
ALA A 340
LEU A 424
GLY A 423
ALA A 214
 None
 1.49A 4fe1A-2epjA:
undetectable
4fe1J-2epjA:
undetectable		 4fe1A-2epjA:
21.85
4fe1J-2epjA:
7.30
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.
2hjs USG-1 PROTEIN
HOMOLOG

(Pseudomonas
aeruginosa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 PHE A  49
ARG A  46
LEU A  54
GLY A  48
ALA A  86
 None
 1.44A 4fe1A-2hjsA:
undetectable
4fe1J-2hjsA:
undetectable		 4fe1A-2hjsA:
18.99
4fe1J-2hjsA:
7.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nwh CARBOHYDRATE KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 PHE A  52
LEU A  50
GLY A  51
ALA A 309
MET A 311
 None
 1.37A 4fe1A-2nwhA:
undetectable
4fe1J-2nwhA:
undetectable		 4fe1A-2nwhA:
18.52
4fe1J-2nwhA:
10.79
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 PHE A1376
ARG A1373
ALA A1548
GLY A1375
ALA A1408
 None
 1.35A 4fe1A-2pffA:
undetectable
4fe1J-2pffA:
undetectable		 4fe1A-2pffA:
15.05
4fe1J-2pffA:
3.42
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.
2q04 ACETOIN UTILIZATION
PROTEIN

(Exiguobacterium
sibiricum) 		PF00583
(Acetyltransf_1) 		5 MET A 125
ALA A 184
LEU A 164
GLY A 163
ALA A  40
 None
None
None
None
EDO  A 214 (-3.6A)
 1.06A 4fe1A-2q04A:
undetectable
4fe1J-2q04A:
undetectable		 4fe1A-2q04A:
14.04
4fe1J-2q04A:
14.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 PHE A 589
ALA A 356
LEU A 369
GLY A 366
ALA A 557
 None
 1.42A 4fe1A-2wpgA:
undetectable
4fe1J-2wpgA:
undetectable		 4fe1A-2wpgA:
23.33
4fe1J-2wpgA:
5.56
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.
2x5f ASPARTATE_TYROSINE_P
HENYLALANINE
PYRIDOXAL-5'
PHOSPHATE-DEPENDENT
AMINOTRANSFERASE

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		5 MET A 281
PHE A 283
ALA A 228
LEU A 260
GLY A 284
 None
 1.25A 4fe1A-2x5fA:
undetectable
4fe1J-2x5fA:
undetectable		 4fe1A-2x5fA:
20.44
4fe1J-2x5fA:
7.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvn ASPERGILLUS
FUMIGATUS CHITINASE
A1

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		5 PHE A 140
ALA A 147
LEU A 144
ALA A  32
MET A 310
 None
None
None
None
KLS  A1338 ( 4.9A)
 1.44A 4fe1A-2xvnA:
undetectable
4fe1J-2xvnA:
undetectable		 4fe1A-2xvnA:
18.54
4fe1J-2xvnA:
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		5 PHE A 165
ALA A 158
LEU A 161
GLY A 164
ALA A 728
 5PL  A 900 (-4.1A)
None
None
None
None
 1.27A 4fe1A-2yevA:
0.0
4fe1J-2yevA:
undetectable		 4fe1A-2yevA:
24.18
4fe1J-2yevA:
4.95
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.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 PHE A 229
ALA A 220
LEU A 222
GLY A 228
ALA A 354
 None
 1.16A 4fe1A-2yfhA:
undetectable
4fe1J-2yfhA:
undetectable		 4fe1A-2yfhA:
22.49
4fe1J-2yfhA:
8.14
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.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK) 		PF00202
(Aminotran_3) 		5 PHE A 348
ARG A 259
ALA A 416
LEU A 417
GLY A 345
 None
 1.26A 4fe1A-2ykyA:
undetectable
4fe1J-2ykyA:
undetectable		 4fe1A-2ykyA:
21.97
4fe1J-2ykyA:
7.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 PHE A 120
SER A 116
TRP A 119
ALA A  95
GLY A 121
 None
None
None
None
NAG  A 821 ( 4.9A)
 1.48A 4fe1A-2z81A:
undetectable
4fe1J-2z81A:
undetectable		 4fe1A-2z81A:
20.18
4fe1J-2z81A:
6.18
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.
3ai2 NADPH-SORBOSE
REDUCTASE

(Gluconobacter
frateurii) 		PF13561
(adh_short_C2) 		5 MET A 131
ALA A 120
LEU A 123
GLY A 126
ALA A  47
 None
 1.28A 4fe1A-3ai2A:
undetectable
4fe1J-3ai2A:
undetectable		 4fe1A-3ai2A:
16.15
4fe1J-3ai2A:
7.60
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.
3akf PUTATIVE SECRETED
ALPHA
L-ARABINOFURANOSIDAS
E II

(Streptomyces
avermitilis) 		PF04616
(Glyco_hydro_43)
PF05270
(AbfB) 		5 PHE A 397
SER A 394
ALA A 362
LEU A 361
ALA A 453
 None
 1.31A 4fe1A-3akfA:
undetectable
4fe1J-3akfA:
undetectable		 4fe1A-3akfA:
22.31
4fe1J-3akfA:
6.62
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.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 ARG A 322
ALA A 330
LEU A 321
GLY A 320
ALA A  45
 None
 1.28A 4fe1A-3cp8A:
undetectable
4fe1J-3cp8A:
undetectable		 4fe1A-3cp8A:
22.69
4fe1J-3cp8A:
5.16
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.
3e1s EXODEOXYRIBONUCLEASE
V, SUBUNIT RECD

(Deinococcus
radiodurans) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30)
PF14490
(HHH_4) 		5 ARG A 336
ALA A 344
LEU A 339
GLY A 338
ALA A 405
 None
 1.16A 4fe1A-3e1sA:
undetectable
4fe1J-3e1sA:
undetectable		 4fe1A-3e1sA:
23.32
4fe1J-3e1sA:
5.57
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.
3eoj BACTERIOCHLOROPHYLL
A PROTEIN

(Prosthecochloris
aestuarii) 		PF02327
(BChl_A) 		5 SER A  24
ALA A 252
LEU A 273
GLY A 275
ALA A  33
 None
BCL  A 376 ( 3.8A)
BCL  A 376 ( 4.2A)
BCL  A 375 ( 3.8A)
BCL  A 373 (-3.5A)
 1.47A 4fe1A-3eojA:
undetectable
4fe1J-3eojA:
undetectable		 4fe1A-3eojA:
19.24
4fe1J-3eojA:
7.16
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.
3fsn RETINAL PIGMENT
EPITHELIUM-SPECIFIC
65 KDA PROTEIN

(Bos taurus) 		PF03055
(RPE65) 		5 PHE A 526
ALA A 132
LEU A 133
GLY A  46
ALA A 273
 None
 1.43A 4fe1A-3fsnA:
undetectable
4fe1J-3fsnA:
undetectable		 4fe1A-3fsnA:
20.08
4fe1J-3fsnA:
5.86
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.
3ghy KETOPANTOATE
REDUCTASE PROTEIN

(Ralstonia
solanacearum) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 SER A 174
ALA A 181
LEU A 166
GLY A 167
ALA A   9
 None
 0.98A 4fe1A-3ghyA:
undetectable
4fe1J-3ghyA:
undetectable		 4fe1A-3ghyA:
17.15
4fe1J-3ghyA:
10.68
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.
3h1l MITOCHONDRIAL
CYTOCHROME C1, HEME
PROTEIN

(Gallus gallus) 		PF02167
(Cytochrom_C1) 		5 PHE D 189
ARG D 191
TRP D 192
ALA D 194
ALA D 101
 None
 1.39A 4fe1A-3h1lD:
undetectable
4fe1J-3h1lD:
undetectable		 4fe1A-3h1lD:
14.44
4fe1J-3h1lD:
9.13
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 SER A1284
ALA A1382
GLY A1330
ALA A1348
MET A1346
 None
 1.50A 4fe1A-3hmjA:
4.7
4fe1J-3hmjA:
undetectable		 4fe1A-3hmjA:
16.54
4fe1J-3hmjA:
2.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3v PROBABLE SECRETED
SOLUTE-BINDING
LIPOPROTEIN

(Streptomyces
coelicolor) 		PF01547
(SBP_bac_1) 		5 ARG A 378
ALA A 375
LEU A 379
GLY A 380
ALA A 185
 None
 1.45A 4fe1A-3i3vA:
undetectable
4fe1J-3i3vA:
undetectable		 4fe1A-3i3vA:
20.23
4fe1J-3i3vA:
7.65
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.
3m3p GLUTAMINE AMIDO
TRANSFERASE

(Methylobacillus
flagellatus) 		PF00117
(GATase) 		5 MET A  36
PHE A  11
ALA A  61
LEU A  90
GLY A  57
 None
 1.42A 4fe1A-3m3pA:
undetectable
4fe1J-3m3pA:
undetectable		 4fe1A-3m3pA:
15.42
4fe1J-3m3pA:
16.23
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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		6 PHE A 327
SER A 394
ALA A 306
GLY A 326
ALA A 174
MET A 173
 None
 1.30A 4fe1A-3mpgA:
undetectable
4fe1J-3mpgA:
undetectable		 4fe1A-3mpgA:
19.74
4fe1J-3mpgA:
7.08
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.
3nks PROTOPORPHYRINOGEN
OXIDASE

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 SER A 408
ALA A 324
LEU A 363
GLY A 362
ALA A 107
 None
 1.41A 4fe1A-3nksA:
undetectable
4fe1J-3nksA:
undetectable		 4fe1A-3nksA:
21.36
4fe1J-3nksA:
6.08
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.
3ol2 PLEXIN-B1

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		5 ARG B 254
ALA B 226
LEU B 253
GLY B 159
ALA B 279
 None
 1.22A 4fe1A-3ol2B:
undetectable
4fe1J-3ol2B:
undetectable		 4fe1A-3ol2B:
22.12
4fe1J-3ol2B:
4.73
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.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
halodurans) 		PF00275
(EPSP_synthase) 		5 MET A 203
ALA A  38
LEU A 226
GLY A 208
ALA A 139
 None
 1.07A 4fe1A-3rmtA:
undetectable
4fe1J-3rmtA:
undetectable		 4fe1A-3rmtA:
20.92
4fe1J-3rmtA:
7.30
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.
3wwz D-LACTATE
DEHYDROGENASE
(FERMENTATIVE)

(Pseudomonas
aeruginosa) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 MET A 163
PHE A 159
ALA A 172
GLY A 156
ALA A 242
 None
 1.24A 4fe1A-3wwzA:
undetectable
4fe1J-3wwzA:
undetectable		 4fe1A-3wwzA:
18.23
4fe1J-3wwzA:
8.57
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.
3wwz D-LACTATE
DEHYDROGENASE
(FERMENTATIVE)

(Pseudomonas
aeruginosa) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 MET A 163
PHE A 159
ALA A 172
GLY A 156
ALA A 246
 None
 1.42A 4fe1A-3wwzA:
undetectable
4fe1J-3wwzA:
undetectable		 4fe1A-3wwzA:
18.23
4fe1J-3wwzA:
8.57
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.
3zhw NON-SYMBIOTIC
HEMOGLOBIN 1

(Arabidopsis
thaliana) 		PF00042
(Globin) 		5 MET A  24
ALA A 120
LEU A  35
GLY A  32
ALA A 151
 None
 1.43A 4fe1A-3zhwA:
2.3
4fe1J-3zhwA:
undetectable		 4fe1A-3zhwA:
11.13
4fe1J-3zhwA:
10.76
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.
4dq8 ACETATE KINASE

(Mycobacterium
marinum) 		PF00871
(Acetate_kinase) 		5 ALA A 208
LEU A 308
GLY A 309
ALA A 202
MET A 227
 None
 1.23A 4fe1A-4dq8A:
undetectable
4fe1J-4dq8A:
undetectable		 4fe1A-4dq8A:
18.53
4fe1J-4dq8A:
7.47
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.
4e2z TCAB9

(Micromonospora
chalcea) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		5 MET A  86
PHE A  90
LEU A  93
ALA A 238
MET A 237
 None
SAH  A 503 (-4.5A)
None
None
None
 1.48A 4fe1A-4e2zA:
undetectable
4fe1J-4e2zA:
undetectable		 4fe1A-4e2zA:
19.73
4fe1J-4e2zA:
7.49
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.
4f47 ENOYL-COA HYDRATASE
ECHA19

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 ARG A  33
ALA A  39
LEU A  40
ALA A 187
MET A 190
 None
 1.46A 4fe1A-4f47A:
undetectable
4fe1J-4f47A:
undetectable		 4fe1A-4f47A:
16.27
4fe1J-4f47A:
11.87
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 MET A 534
PHE A 532
ALA A 506
GLY A 531
MET A 238
 None
None
None
None
BGC  A 901 (-4.1A)
 1.13A 4fe1A-4i3gA:
undetectable
4fe1J-4i3gA:
undetectable		 4fe1A-4i3gA:
22.96
4fe1J-4i3gA:
4.08
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.
4ijn ACETATE KINASE

(Mycolicibacterium
smegmatis) 		PF00871
(Acetate_kinase) 		5 ALA A 200
LEU A 300
GLY A 301
ALA A 194
MET A 219
 EDO  A 403 (-3.8A)
None
None
None
None
 1.25A 4fe1A-4ijnA:
undetectable
4fe1J-4ijnA:
undetectable		 4fe1A-4ijnA:
19.42
4fe1J-4ijnA:
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.
4jfc ENOYL-COA HYDRATASE

(Polaromonas sp.
JS666) 		PF00378
(ECH_1) 		5 ALA A 112
LEU A  27
GLY A  28
ALA A 193
MET A 196
 GOL  A 301 (-3.4A)
None
None
None
None
 1.49A 4fe1A-4jfcA:
undetectable
4fe1J-4jfcA:
undetectable		 4fe1A-4jfcA:
16.62
4fe1J-4jfcA:
12.00
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.
4my5 PUTATIVE AMINO ACID
AMINOTRANSFERASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		5 ALA A  71
LEU A  72
GLY A  68
ALA A 289
MET A 292
 None
 1.18A 4fe1A-4my5A:
undetectable
4fe1J-4my5A:
undetectable		 4fe1A-4my5A:
19.55
4fe1J-4my5A:
9.62
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.
4oh7 ORNITHINE
CARBAMOYLTRANSFERASE

(Brucella
melitensis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 PHE A  64
ARG A  31
ALA A 302
LEU A 301
GLY A  67
 None
 1.37A 4fe1A-4oh7A:
undetectable
4fe1J-4oh7A:
undetectable		 4fe1A-4oh7A:
19.56
4fe1J-4oh7A:
11.27
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.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 PHE A 660
ALA A 564
LEU A 560
GLY A 657
ALA A 626
 None
 1.32A 4fe1A-4oqjA:
undetectable
4fe1J-4oqjA:
undetectable		 4fe1A-4oqjA:
24.45
4fe1J-4oqjA:
3.48
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.
4ppr PENICILLIN-BINDING
PROTEIN DACB1

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		5 PHE A 330
ALA A 323
LEU A 326
GLY A 329
MET A 129
 None
 1.47A 4fe1A-4pprA:
undetectable
4fe1J-4pprA:
undetectable		 4fe1A-4pprA:
19.76
4fe1J-4pprA:
7.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qfw ACYL-COA
THIOESTERASE II

(Yersinia pestis) 		PF13622
(4HBT_3) 		5 ALA A   4
LEU A   5
GLY A 186
ALA A  43
MET A 104
 None
 1.50A 4fe1A-4qfwA:
undetectable
4fe1J-4qfwA:
undetectable		 4fe1A-4qfwA:
16.10
4fe1J-4qfwA:
9.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiu NITRONATE
MONOOXYGENASE FAMILY
PROTEIN

(Pseudomonas
aeruginosa) 		PF03060
(NMO) 		5 ARG A 343
ALA A 339
LEU A 342
GLY A  36
ALA A 180
 None
None
None
None
FMN  A 401 (-3.3A)
 1.40A 4fe1A-4qiuA:
undetectable
4fe1J-4qiuA:
undetectable		 4fe1A-4qiuA:
20.03
4fe1J-4qiuA:
9.27
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.
4r10 PROTEIN HUMPBACK-2

(Caenorhabditis
elegans) 		PF00514
(Arm) 		5 MET A 495
ARG A 399
ALA A 438
LEU A 440
GLY A 501
 None
 1.31A 4fe1A-4r10A:
undetectable
4fe1J-4r10A:
undetectable		 4fe1A-4r10A:
22.79
4fe1J-4r10A:
6.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		8 MET A 691
PHE A 692
SER A 695
ARG A 697
TRP A 700
ALA A 724
LEU A 725
GLY A 730
 CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
PQN  A5001 ( 4.0A)
 0.36A 4fe1A-4rkuA:
45.6
4fe1J-4rkuA:
undetectable		 4fe1A-4rkuA:
83.31
4fe1J-4rkuA:
4.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		7 MET B 662
PHE B 663
SER B 666
ARG B 668
TRP B 671
ALA B 699
LEU B 700
 CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.53A 4fe1A-4rkuB:
35.5
4fe1J-4rkuB:
undetectable		 4fe1A-4rkuB:
42.88
4fe1J-4rkuB:
4.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT VIII

(Pisum sativum) 		PF00223
(PsaA_PsaB)
PF00796
(PSI_8) 		5 MET B 662
PHE B 663
SER B 666
TRP B 671
MET I  21
 CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
PQN  B5002 ( 3.3A)
CLA  B1206 (-3.7A)
 1.11A 4fe1A-4rkuB:
35.5
4fe1J-4rkuB:
undetectable		 4fe1A-4rkuB:
42.88
4fe1J-4rkuB:
4.23
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.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 ARG A  28
ALA A 228
LEU A  29
GLY A  26
ALA A 132
 None
 1.04A 4fe1A-4wecA:
undetectable
4fe1J-4wecA:
undetectable		 4fe1A-4wecA:
16.96
4fe1J-4wecA:
10.07
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.
5a2o NITRATE TRANSPORTER
1.1

(Arabidopsis
thaliana) 		PF00854
(PTR2) 		5 PHE A 512
SER A 515
LEU A 509
GLY A 510
ALA A 256
 None
 1.29A 4fe1A-5a2oA:
undetectable
4fe1J-5a2oA:
undetectable		 4fe1A-5a2oA:
22.21
4fe1J-5a2oA:
6.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 5 SER A 809
ARG A1021
ALA A 755
LEU A 759
ALA A 863
 None
 1.27A 4fe1A-5b7iA:
undetectable
4fe1J-5b7iA:
undetectable		 4fe1A-5b7iA:
21.39
4fe1J-5b7iA:
3.87
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.
5ck3 PUTATIVE SIGNAL
RECOGNITION PARTICLE
PROTEIN

(Chaetomium
thermophilum) 		PF09439
(SRPRB) 		5 PHE B 310
SER B 307
LEU B 302
GLY B 303
ALA B  61
 None
None
None
None
GTP  B 402 (-4.1A)
 1.46A 4fe1A-5ck3B:
undetectable
4fe1J-5ck3B:
undetectable		 4fe1A-5ck3B:
19.10
4fe1J-5ck3B:
11.69
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.
5dj4 SESTRIN-2

(Homo sapiens) 		PF04636
(PA26) 		5 TRP A 145
LEU A 149
GLY A 148
ALA A 467
MET A 464
 None
 1.48A 4fe1A-5dj4A:
1.8
4fe1J-5dj4A:
undetectable		 4fe1A-5dj4A:
21.11
4fe1J-5dj4A:
7.13
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.
5dlb CHAPERONE ESPG3

(Mycobacterium
marinum) 		PF14011
(ESX-1_EspG) 		5 SER A 248
ALA A 270
LEU A 274
GLY A 232
ALA A 109
 None
 1.39A 4fe1A-5dlbA:
undetectable
4fe1J-5dlbA:
undetectable		 4fe1A-5dlbA:
18.98
4fe1J-5dlbA:
7.30
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.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		5 SER A 165
ARG A 188
ALA A 172
LEU A 187
GLY A 191
 None
 1.35A 4fe1A-5ebbA:
undetectable
4fe1J-5ebbA:
undetectable		 4fe1A-5ebbA:
19.12
4fe1J-5ebbA:
7.95
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.
5gtk BETAINE-ALDEHYDE
DEHYDROGENASE

(Bacillus cereus) 		PF00171
(Aldedh) 		5 SER A 421
ALA A 446
LEU A 425
GLY A 269
ALA A 180
 None
 1.45A 4fe1A-5gtkA:
2.2
4fe1J-5gtkA:
undetectable		 4fe1A-5gtkA:
19.69
4fe1J-5gtkA:
6.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		5 MET A1638
SER A1641
LEU A1523
GLY A1524
MET A1467
 None
 1.39A 4fe1A-5h64A:
4.2
4fe1J-5h64A:
undetectable		 4fe1A-5h64A:
14.33
4fe1J-5h64A:
2.13
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.
5h9d FARNESYL
PYROPHOSPHATE
SYNTHETASE
HEPTAPRENYL
DIPHOSPHATE SYNTHASE
(HEPPP SYNTHASE)
SUBUNIT 1 FAMILY
PROTEIN

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt)
PF07307
(HEPPP_synt_1) 		5 MET A 122
ALA A  20
LEU A 116
GLY A 117
ALA C 124
 None
 1.19A 4fe1A-5h9dA:
3.8
4fe1J-5h9dA:
undetectable		 4fe1A-5h9dA:
16.51
4fe1J-5h9dA:
9.48
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.
5jpq ES6
KRE33

(Chaetomium
thermophilum) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40)
no annotation 		5 MET r   1
PHE r   3
ALA r  53
LEU r 111
ALA i 932
 None
None
G  2 163 ( 4.3A)
None
None
 1.18A 4fe1A-5jpqr:
5.7
4fe1J-5jpqr:
undetectable		 4fe1A-5jpqr:
15.11
4fe1J-5jpqr:
11.11
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.
5kyo CYP101J2

(Sphingobium
yanoikuyae) 		PF00067
(p450) 		5 PHE A 144
ALA A 137
LEU A 140
GLY A 143
ALA A 183
 None
 1.48A 4fe1A-5kyoA:
undetectable
4fe1J-5kyoA:
undetectable		 4fe1A-5kyoA:
20.16
4fe1J-5kyoA:
5.81
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.
5l75 FIG000906: PREDICTED
PERMEASE

(Klebsiella
pneumoniae) 		PF03739
(YjgP_YjgQ) 		5 PHE G 319
ALA G  72
LEU G  73
GLY G 316
ALA G 360
 None
 1.11A 4fe1A-5l75G:
undetectable
4fe1J-5l75G:
undetectable		 4fe1A-5l75G:
19.87
4fe1J-5l75G:
9.19
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
6

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF00499
(Oxidored_q3)
PF06444
(NADH_dehy_S2_C) 		5 ALA N  39
LEU N  38
GLY J 164
ALA N 101
MET N  98
 None
 1.49A 4fe1A-5lc5N:
undetectable
4fe1J-5lc5N:
undetectable		 4fe1A-5lc5N:
20.51
4fe1J-5lc5N:
10.51
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.
5nag KYNURENINE
3-MONOOXYGENASE

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 ARG A  66
ALA A  62
LEU A  65
GLY A  69
ALA A 312
 None
 1.36A 4fe1A-5nagA:
undetectable
4fe1J-5nagA:
undetectable		 4fe1A-5nagA:
20.98
4fe1J-5nagA:
5.42
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.
5nfu SERINE/THREONINE-PRO
TEIN KINASE PLK1

(Homo sapiens) 		no annotation 5 SER A 387
ARG A 581
ALA A 577
LEU A 580
ALA A 493
 None
 1.21A 4fe1A-5nfuA:
undetectable
4fe1J-5nfuA:
undetectable		 4fe1A-5nfuA:
8.89
4fe1J-5nfuA:
18.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 8 MET 1 684
PHE 1 685
SER 1 688
ARG 1 690
TRP 1 693
ALA 1 717
LEU 1 718
GLY 1 723
 CLA  1 802 ( 3.2A)
PQN  1 842 (-3.8A)
PQN  1 842 (-3.4A)
None
PQN  1 842 ( 3.3A)
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
PQN  1 842 ( 3.9A)
 0.40A 4fe1A-5oy01:
46.5
4fe1J-5oy01:
undetectable		 4fe1A-5oy01:
85.00
4fe1J-5oy01:
16.25
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 7 MET b 659
PHE b 660
SER b 663
ARG b 665
TRP b 668
ALA b 696
LEU b 697
 CLA  b1807 ( 3.2A)
PQN  b1844 ( 4.2A)
PQN  b1844 (-3.7A)
None
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
 0.62A 4fe1A-5oy0b:
34.6
4fe1J-5oy0b:
undetectable		 4fe1A-5oy0b:
7.11
4fe1J-5oy0b:
23.46
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		5 MET A 421
SER A 107
ALA A 156
LEU A 155
ALA A 434
 None
 1.11A 4fe1A-5tr1A:
2.1
4fe1J-5tr1A:
undetectable		 4fe1A-5tr1A:
23.93
4fe1J-5tr1A:
5.11
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.
5v8k P800 REACTION CENTER
CORE PROTEIN

(Heliobacterium
modesticaldum) 		PF00223
(PsaA_PsaB) 		5 SER A 545
ARG A 551
ALA A 580
LEU A 581
GLY A 586
 AOH  A1003 (-4.3A)
None
AOH  A1003 ( 4.9A)
None
None
 1.01A 4fe1A-5v8kA:
23.6
4fe1J-5v8kA:
undetectable		 4fe1A-5v8kA:
26.02
4fe1J-5v8kA:
7.22
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.
5voh NADH OXIDASE

(Lactobacillus
brevis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A 374
ALA A 344
LEU A 339
GLY A 386
ALA A 256
 None
 1.25A 4fe1A-5vohA:
undetectable
4fe1J-5vohA:
undetectable		 4fe1A-5vohA:
21.33
4fe1J-5vohA:
6.83
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.
5voh NADH OXIDASE

(Lactobacillus
brevis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A 374
ALA A 344
LEU A 339
GLY A 386
ALA A 260
 None
 1.24A 4fe1A-5vohA:
undetectable
4fe1J-5vohA:
undetectable		 4fe1A-5vohA:
21.33
4fe1J-5vohA:
6.83
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.
5xbk IMPORTIN-4

(Homo sapiens) 		no annotation 5 MET D 695
PHE D 699
ALA D 720
LEU D 721
ALA D 841
 None
 1.28A 4fe1A-5xbkD:
undetectable
4fe1J-5xbkD:
undetectable		 4fe1A-5xbkD:
6.90
4fe1J-5xbkD:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xhu FERREDOXIN--NADP
REDUCTASE

(Bacillus
subtilis) 		no annotation 5 PHE A  50
LEU A  69
GLY A  66
ALA A 308
MET A 275
 FAD  A1000 (-3.6A)
None
None
None
None
 1.21A 4fe1A-5xhuA:
undetectable
4fe1J-5xhuA:
undetectable		 4fe1A-5xhuA:
7.49
4fe1J-5xhuA:
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 5 PHE A 235
ALA A 191
LEU A 190
GLY A 236
MET A 465
 None
 1.42A 4fe1A-5z0uA:
undetectable
4fe1J-5z0uA:
undetectable		 4fe1A-5z0uA:
8.25
4fe1J-5z0uA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 291
LEU A 289
GLY A 288
ALA A  23
MET A  28
 None
FAD  A 501 ( 4.8A)
None
None
None
 1.48A 4fe1A-6aonA:
undetectable
4fe1J-6aonA:
undetectable		 4fe1A-6aonA:
21.08
4fe1J-6aonA:
6.13
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.
6at7 PHENYLALANINE
AMMONIA-LYASE

(Sorghum bicolor) 		no annotation 5 SER A  81
ARG A  77
ALA A  74
LEU A 155
ALA A  63
 None
 1.41A 4fe1A-6at7A:
undetectable
4fe1J-6at7A:
undetectable		 4fe1A-6at7A:
7.15
4fe1J-6at7A:
15.85
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.
6c13 -

(-) 		no annotation 5 PHE A 870
ALA A 839
LEU A 881
ALA A 965
MET A 963
 None
 1.22A 4fe1A-6c13A:
undetectable
4fe1J-6c13A:
undetectable		 4fe1A-6c13A:
undetectable
4fe1J-6c13A:
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.
6cbl NEAMINE TRANSAMINASE
NEON

(Streptomyces
fradiae) 		no annotation 5 PHE A 292
ARG A 294
LEU A 293
GLY A 289
ALA A 384
 None
 1.25A 4fe1A-6cblA:
undetectable
4fe1J-6cblA:
undetectable		 4fe1A-6cblA:
8.14
4fe1J-6cblA:
30.51
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.
6cn1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
putida) 		no annotation 5 PHE A  57
LEU A  56
GLY A  58
ALA A 136
MET A 134
 None
 1.48A 4fe1A-6cn1A:
undetectable
4fe1J-6cn1A:
undetectable		 4fe1A-6cn1A:
8.67
4fe1J-6cn1A:
27.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fa5 PUTATIVE MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		no annotation 5 PHE A 381
ARG A 816
ALA A 820
LEU A 819
ALA A 701
 None
 1.34A 4fe1A-6fa5A:
undetectable
4fe1J-6fa5A:
undetectable		 4fe1A-6fa5A:
7.42
4fe1J-6fa5A:
17.33
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.
6fml RUVB-LIKE HELICASE

(Chaetomium
thermophilum) 		no annotation 5 PHE D 349
ALA D 314
LEU D 315
ALA D  91
MET D  88
 None
 1.26A 4fe1A-6fmlD:
undetectable
4fe1J-6fmlD:
undetectable		 4fe1A-6fmlD:
7.44
4fe1J-6fmlD:
11.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX

(Cyanidioschyzon
merolae) 		no annotation 7 MET A 681
PHE A 682
ARG A 687
TRP A 690
ALA A 714
LEU A 715
ALA J  14
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
PQN  A2001 ( 4.0A)
 0.79A 4fe1A-6fosA:
47.0
4fe1J-6fosA:
undetectable		 4fe1A-6fosA:
81.25
4fe1J-6fosA:
18.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX

(Cyanidioschyzon
merolae) 		no annotation 7 MET A 681
PHE A 682
TRP A 690
ALA A 714
LEU A 715
GLY A 720
ALA J  14
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
None
PQN  A2001 ( 4.0A)
 0.59A 4fe1A-6fosA:
47.0
4fe1J-6fosA:
undetectable		 4fe1A-6fosA:
81.25
4fe1J-6fosA:
18.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX

(Cyanidioschyzon
merolae) 		no annotation 6 MET A 681
PHE A 682
TRP A 690
LEU A 715
GLY A 720
ALA J  10
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.7A)
None
CLA  A1101 ( 4.6A)
 1.06A 4fe1A-6fosA:
47.0
4fe1J-6fosA:
undetectable		 4fe1A-6fosA:
81.25
4fe1J-6fosA:
18.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX

(Cyanidioschyzon
merolae) 		no annotation 7 MET A 681
SER A 685
ARG A 687
TRP A 690
ALA A 714
LEU A 715
ALA J  14
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.4A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
PQN  A2001 ( 4.0A)
 1.02A 4fe1A-6fosA:
47.0
4fe1J-6fosA:
undetectable		 4fe1A-6fosA:
81.25
4fe1J-6fosA:
18.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX

(Cyanidioschyzon
merolae) 		no annotation 5 MET A 681
SER A 685
TRP A 690
LEU A 715
ALA J  10
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.4A)
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.7A)
CLA  A1101 ( 4.6A)
 1.34A 4fe1A-6fosA:
47.0
4fe1J-6fosA:
undetectable		 4fe1A-6fosA:
81.25
4fe1J-6fosA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 7 MET B 660
PHE B 661
SER B 664
ARG B 666
TRP B 669
ALA B 697
LEU B 698
 PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.87A 4fe1A-6fosB:
27.2
4fe1J-6fosB:
undetectable		 4fe1A-6fosB:
6.81
4fe1J-6fosB:
22.50