SIMILAR PATTERNS OF AMINO ACIDS FOR 3QPS_A_CHDA211

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.
1amo NADPH-CYTOCHROME
P450 REDUCTASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 LEU A 562
ALA A 538
PHE A 540
GLY A 542
ILE A 544
 None
FAD  A 750 (-3.7A)
None
None
None
 1.03A 3qpsA-1amoA:
0.0		 3qpsA-1amoA:
15.61
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.
1dcu FRUCTOSE-1,6-BISPHOS
PHATASE

(Pisum sativum) 		PF00316
(FBPase) 		5 LEU A  42
PHE A 311
ALA A 187
PHE A 144
GLY A 145
 None
 1.32A 3qpsA-1dcuA:
0.3		 3qpsA-1dcuA:
21.92
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.
1ehk BA3-TYPE
CYTOCHROME-C OXIDASE

(Thermus
thermophilus) 		PF00115
(COX1) 		5 LEU A 273
ALA A 532
PHE A 531
GLY A 528
ILE A 527
 None
 1.21A 3qpsA-1ehkA:
0.0		 3qpsA-1ehkA:
16.07
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.
1iuh 2'-5' RNA LIGASE

(Thermus
thermophilus) 		PF02834
(LigT_PEase) 		5 LEU A  42
PHE A   8
ALA A 158
PHE A 157
GLY A 156
 None
 1.44A 3qpsA-1iuhA:
0.6		 3qpsA-1iuhA:
21.27
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.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		5 LEU A  40
ALA A  28
GLY A  26
ILE A  18
PHE A  11
 None
 1.42A 3qpsA-1iy8A:
1.8		 3qpsA-1iy8A:
19.06
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.
1kve SMK TOXIN
SMK TOXIN

(Millerozyma
farinosa;
Millerozyma
farinosa) 		no annotation
no annotation 		5 LEU B 207
ALA B 178
PHE B 182
GLY B 184
ILE A  34
 None
 1.31A 3qpsA-1kveB:
undetectable		 3qpsA-1kveB:
15.14
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.
1mqq ALPHA-D-GLUCURONIDAS
E

(Geobacillus
stearothermophilus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		5 LEU A 411
PHE A 465
ALA A 469
GLY A 439
ILE A 428
 None
 1.47A 3qpsA-1mqqA:
0.4		 3qpsA-1mqqA:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mw7 HYPOTHETICAL PROTEIN
HP0162

(Helicobacter
pylori) 		PF01709
(Transcrip_reg) 		5 LEU A 211
ALA A  87
PHE A  89
GLY A  90
ILE A 209
 None
 1.02A 3qpsA-1mw7A:
undetectable		 3qpsA-1mw7A:
22.62
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.
1nlu SEDOLISIN

(Pseudomonas sp.) 		no annotation 5 LEU A 300
ALA A 363
ILE A 358
TRP A 297
PHE A 315
 None
 1.16A 3qpsA-1nluA:
0.0		 3qpsA-1nluA:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 169
ALA A 127
GLY A 125
ILE A 415
CYH A 153
 None
 1.48A 3qpsA-1r9jA:
0.0		 3qpsA-1r9jA:
14.75
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.
1rh1 COLICIN B

(Escherichia
coli) 		PF01024
(Colicin)
PF03515
(Cloacin) 		5 LEU A 461
ALA A 492
PHE A 496
GLY A 494
ILE A 497
 None
 0.99A 3qpsA-1rh1A:
1.5		 3qpsA-1rh1A:
16.47
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.
1spi FRUCTOSE
1,6-BISPHOSPHATASE

(Spinacia
oleracea) 		PF00316
(FBPase) 		5 LEU A  44
PHE A 312
ALA A 188
PHE A 146
GLY A 147
 None
 1.49A 3qpsA-1spiA:
undetectable		 3qpsA-1spiA:
20.99
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.
1ted PKS18

(Mycobacterium
tuberculosis) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 281
ALA A 376
PHE A 377
GLY A 378
ILE A 264
 LEU  A 281 ( 0.6A)
ALA  A 376 ( 0.0A)
PHE  A 377 ( 1.3A)
GLY  A 378 ( 0.0A)
ILE  A 264 ( 0.7A)
 1.13A 3qpsA-1tedA:
undetectable		 3qpsA-1tedA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uik ALPHA PRIME SUBUNIT
OF BETA-CONGLYCININ

(Glycine max) 		PF00190
(Cupin_1) 		5 LEU A 263
ALA A 480
PHE A 481
GLY A 482
ILE A 483
 None
 1.44A 3qpsA-1uikA:
undetectable		 3qpsA-1uikA:
22.40
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.
1z1e STILBENE SYNTHASE

(Arachis
hypogaea) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 384
PHE A 343
PHE A 237
ILE A 239
CYH A 130
 None
 1.48A 3qpsA-1z1eA:
0.8		 3qpsA-1z1eA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zzg GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF00342
(PGI) 		5 PHE A 188
ALA A 386
PHE A 387
GLY A 389
PHE A 261
 None
 1.44A 3qpsA-1zzgA:
undetectable		 3qpsA-1zzgA:
18.22
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.
2aa1 HEMOGLOBIN BETA-C
CHAIN

(Trematomus
newnesi) 		PF00042
(Globin) 		5 LEU B 106
ALA B  26
GLY B  64
ILE B  67
PHE B 130
 HEM  B 400 (-4.0A)
None
None
HEM  B 400 (-4.1A)
None
 1.43A 3qpsA-2aa1B:
undetectable		 3qpsA-2aa1B:
20.49
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 LEU A 180
ALA A 160
PHE A 161
GLY A 164
ILE A 165
 None
 1.23A 3qpsA-2amxA:
undetectable		 3qpsA-2amxA:
22.28
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.
2bf4 NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 LEU A 576
ALA A 546
PHE A 548
GLY A 550
ILE A 552
 None
FAD  A 750 ( 4.0A)
None
None
None
 0.98A 3qpsA-2bf4A:
undetectable		 3qpsA-2bf4A:
16.89
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.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 PHE A 152
ALA A 139
PHE A 142
ILE A 121
CYH A 272
 None
 1.21A 3qpsA-2bi7A:
undetectable		 3qpsA-2bi7A:
18.09
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.
2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE

(Escherichia
coli) 		PF02734
(Dak2) 		5 LEU A 101
ALA A  91
GLY A  62
ILE A  61
CYH A  15
 None
 1.38A 3qpsA-2btdA:
undetectable		 3qpsA-2btdA:
21.28
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.
2f6i ATP-DEPENDENT CLP
PROTEASE, PUTATIVE

(Plasmodium
falciparum) 		PF00574
(CLP_protease) 		5 LEU A 199
ALA A 263
GLY A 234
ILE A 203
PHE A 247
 None
 1.46A 3qpsA-2f6iA:
undetectable		 3qpsA-2f6iA:
24.70
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.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		5 PHE A  51
ALA A  77
PHE A  78
GLY A 273
ILE A 272
 None
 1.38A 3qpsA-2glfA:
undetectable		 3qpsA-2glfA:
20.37
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.
2j42 C2 TOXIN
COMPONENT-II

(Clostridium
botulinum) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		5 LEU A  35
ALA A  65
GLY A  25
ILE A  38
TRP A 197
 None
 1.35A 3qpsA-2j42A:
undetectable		 3qpsA-2j42A:
15.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qco CMER

(Campylobacter
jejuni) 		PF00440
(TetR_N) 		9 LEU A  65
PHE A 103
ALA A 108
PHE A 111
GLY A 112
ILE A 115
TRP A 129
PHE A 137
CYH A 166
 None
GOL  A 301 (-4.7A)
None
None
None
None
None
None
GOL  A 301 (-4.0A)
 0.63A 3qpsA-2qcoA:
30.0		 3qpsA-2qcoA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qco CMER

(Campylobacter
jejuni) 		PF00440
(TetR_N) 		9 LEU A  65
PHE A 103
ALA A 108
PHE A 111
GLY A 112
ILE A 115
TRP A 129
PHE A 137
LYS A 170
 None
GOL  A 301 (-4.7A)
None
None
None
None
None
None
GOL  A 301 ( 4.7A)
 0.63A 3qpsA-2qcoA:
30.0		 3qpsA-2qcoA:
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.
2rq4 CUG-BP- AND
ETR-3-LIKE FACTOR 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 ALA A 430
PHE A 446
GLY A 445
ILE A 405
PHE A 424
 None
 1.43A 3qpsA-2rq4A:
undetectable		 3qpsA-2rq4A:
20.47
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 LEU A1032
ALA A1091
GLY A1093
ILE A1059
PHE A1054
 None
 1.35A 3qpsA-2vz9A:
undetectable		 3qpsA-2vz9A:
5.95
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.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ALA A 140
PHE A 141
GLY A 142
ILE A 143
CYH A  96
 None
 1.46A 3qpsA-3a9sA:
0.9		 3qpsA-3a9sA:
15.28
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.
3d6b GLUTARYL-COA
DEHYDROGENASE

(Burkholderia
pseudomallei) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 349
ALA A 361
PHE A 358
GLY A 359
ILE A 271
 None
 1.35A 3qpsA-3d6bA:
2.1		 3qpsA-3d6bA:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		5 LEU A 211
PHE A 249
ALA A 272
GLY A 256
ILE A 257
 None
 1.50A 3qpsA-3ewmA:
undetectable		 3qpsA-3ewmA:
18.40
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.
3f9t L-TYROSINE
DECARBOXYLASE MFNA

(Methanocaldococcus
jannaschii) 		PF00282
(Pyridoxal_deC) 		5 LEU A 337
ALA A 208
PHE A 209
GLY A 211
ILE A 214
 None
PLP  A 500 (-3.4A)
None
None
None
 1.22A 3qpsA-3f9tA:
undetectable		 3qpsA-3f9tA:
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.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 LEU A 542
ALA A 518
PHE A 520
GLY A 522
ILE A 524
 None
FAD  A 750 ( 4.2A)
None
None
None
 1.01A 3qpsA-3fjoA:
undetectable		 3qpsA-3fjoA:
16.43
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.
3hd6 AMMONIUM TRANSPORTER
RH TYPE C

(Homo sapiens) 		PF00909
(Ammonium_transp) 		5 PHE A 187
ALA A 405
GLY A 409
ILE A 411
CYH A 131
 None
 1.06A 3qpsA-3hd6A:
0.8		 3qpsA-3hd6A:
16.80
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.
3js6 UNCHARACTERIZED PARM
PROTEIN

(Staphylococcus
aureus) 		no annotation 5 LEU A   9
PHE A  66
GLY A 101
ILE A 100
PHE A  92
 None
 1.23A 3qpsA-3js6A:
undetectable		 3qpsA-3js6A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lib HYPOTHETICAL SENSORY
TRANSDUCTION
HISTIDINE KINASE

(Methanosarcina
mazei) 		PF02743
(dCache_1) 		5 LEU A  90
PHE A 107
ALA A 106
GLY A 195
ILE A  71
 None
 1.10A 3qpsA-3libA:
undetectable		 3qpsA-3libA:
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.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 LEU A 340
PHE A 327
ALA A 281
GLY A 285
ILE A 288
 None
 1.11A 3qpsA-3nqxA:
undetectable		 3qpsA-3nqxA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 PHE A 327
ALA A 281
PHE A 284
GLY A 285
ILE A 288
 None
 1.03A 3qpsA-3nqxA:
undetectable		 3qpsA-3nqxA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfs NADPH--CYTOCHROME
P450 REDUCTASE

(Homo sapiens) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 LEU A 565
ALA A 541
PHE A 543
GLY A 545
ILE A 547
 None
FAD  A 752 ( 3.7A)
None
None
None
 1.01A 3qpsA-3qfsA:
undetectable		 3qpsA-3qfsA:
17.76
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.
3tkr PEROXIREDOXIN-4

(Homo sapiens) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 LEU A 132
PHE A  77
GLY A  95
ILE A  92
TRP A 122
 None
 1.38A 3qpsA-3tkrA:
undetectable		 3qpsA-3tkrA:
23.20
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.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 LEU A 666
ALA A 723
GLY A 721
ILE A 661
PHE A 681
 None
 1.17A 3qpsA-3ue1A:
undetectable		 3qpsA-3ue1A:
15.36
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.
3ugv ENOLASE

(alpha
proteobacterium
BAL199) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 266
ALA A 296
GLY A 298
ILE A 299
PHE A 256
 None
 1.47A 3qpsA-3ugvA:
undetectable		 3qpsA-3ugvA:
20.46
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.
4c1r MANNOSYL-6-PHOSPHATA
SE

(Bacteroides
thetaiotaomicron) 		PF03372
(Exo_endo_phos) 		5 ALA A  30
PHE A  67
GLY A  68
ILE A 106
PHE A 156
 None
 1.46A 3qpsA-4c1rA:
undetectable		 3qpsA-4c1rA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ALA A 133
PHE A 134
GLY A 135
ILE A 136
CYH A  89
 None
None
EDO  A1596 ( 4.2A)
None
None
 1.47A 3qpsA-4c22A:
undetectable		 3qpsA-4c22A:
16.67
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.
4dup QUINONE
OXIDOREDUCTASE

(Rhizobium etli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 143
ALA A 168
PHE A 169
GLY A 170
CYH A 186
 None
 1.20A 3qpsA-4dupA:
undetectable		 3qpsA-4dupA:
20.90
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.
4e5k PHOSPHITE
DEHYDROGENASE
(THERMOSTABLE
VARIANT)

(Pseudomonas
stutzeri) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A   5
PHE A  52
ALA A  51
GLY A  72
ILE A 312
 None
 1.07A 3qpsA-4e5kA:
undetectable		 3qpsA-4e5kA:
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.
4hzs ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14604
(SH3_9) 		5 LEU A 258
PHE A 378
ALA A 237
GLY A 239
ILE A 268
 None
 1.39A 3qpsA-4hzsA:
undetectable		 3qpsA-4hzsA:
17.53
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.
4llr TRYPAREDOXIN
PEROXIDASE

(Trypanosoma
cruzi) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 LEU A   8
ALA A  12
ILE A 142
PHE A 163
CYH A  71
 None
 1.08A 3qpsA-4llrA:
undetectable		 3qpsA-4llrA:
19.40
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.
4m7r ANAMORSIN

(Homo sapiens) 		PF08241
(Methyltransf_11) 		5 LEU A  88
ALA A  26
PHE A  28
GLY A  29
ILE A  86
 None
 1.39A 3qpsA-4m7rA:
undetectable		 3qpsA-4m7rA:
24.60
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.
4mwg PUTATIVE
DIHYDROMETHANOPTERIN
REDUCTASE (AFPA)

(Paraburkholderia
xenovorans) 		PF02441
(Flavoprotein) 		5 LEU A  84
ALA A 119
GLY A 122
ILE A 126
PHE A  45
 None
 1.19A 3qpsA-4mwgA:
undetectable		 3qpsA-4mwgA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o5p UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF09994
(DUF2235) 		5 LEU A 159
PHE A 265
ALA A 266
ILE A 224
PHE A 110
 None
 1.35A 3qpsA-4o5pA:
undetectable		 3qpsA-4o5pA:
13.56
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.
4oe5 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		5 LEU A 404
PHE A 341
GLY A 418
ILE A 415
CYH A 351
 None
 1.47A 3qpsA-4oe5A:
undetectable		 3qpsA-4oe5A:
16.76
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.
4per RIBONUCLEASE
INHIBITOR

(Gallus gallus) 		PF13516
(LRR_6) 		5 LEU A 263
ALA A 240
GLY A 238
ILE A 234
CYH A 251
 None
 1.06A 3qpsA-4perA:
undetectable		 3qpsA-4perA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pu5 TOXIN-ANTITOXIN
SYSTEM TOXIN HIPA
FAMILY

(Shewanella
oneidensis) 		PF07804
(HipA_C)
PF13657
(Couple_hipA) 		5 LEU A  67
ALA A 104
PHE A 105
GLY A  96
ILE A  95
 None
 1.19A 3qpsA-4pu5A:
undetectable		 3qpsA-4pu5A:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tv7 HTH-TYPE
TRANSCRIPTIONAL
REGULATORY PROTEIN
GABR

(Bacillus
subtilis) 		PF00155
(Aminotran_1_2)
PF00392
(GntR) 		5 LEU A 378
ALA A 450
PHE A 449
GLY A 448
ILE A 447
 None
 1.28A 3qpsA-4tv7A:
undetectable		 3qpsA-4tv7A:
18.92
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.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		5 LEU A 358
PHE A 392
ALA A  99
PHE A 102
GLY A 101
 None
 1.28A 3qpsA-4us4A:
undetectable		 3qpsA-4us4A:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5axk TRNA(HIS)-5'-GUANYLY
LTRANSFERASE (THG1)
LIKE PROTEIN

(Methanosarcina
acetivorans) 		PF04446
(Thg1)
PF14413
(Thg1C) 		5 LEU A 105
ALA A  98
GLY A  96
ILE A 109
PHE A  34
 None
None
None
None
GOL  A 301 ( 4.5A)
 1.33A 3qpsA-5axkA:
undetectable		 3qpsA-5axkA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ch6 FRIGIDA

(Vitis vinifera) 		PF07899
(Frigida) 		5 LEU A 278
PHE A 310
ALA A 301
PHE A 304
GLY A 305
 None
 1.25A 3qpsA-5ch6A:
undetectable		 3qpsA-5ch6A:
21.25
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.
5eue PUTATIVE
SPHINGOSINE-1-PHOSPH
ATE LYASE

(Symbiobacterium
thermophilum) 		PF00282
(Pyridoxal_deC) 		5 LEU A 323
PHE A 295
PHE A 297
GLY A 152
PHE A 280
 None
 1.40A 3qpsA-5eueA:
undetectable		 3qpsA-5eueA:
13.66
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.
5eve PROFILIN

(Ambrosia
artemisiifolia) 		PF00235
(Profilin) 		5 LEU A  69
ALA A  26
PHE A 105
GLY A 106
ILE A 107
 None
 1.17A 3qpsA-5eveA:
undetectable		 3qpsA-5eveA:
20.57
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.
5fq6 PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 LEU A  80
PHE A 319
ALA A  31
GLY A  35
ILE A  38
 None
 1.35A 3qpsA-5fq6A:
undetectable		 3qpsA-5fq6A:
17.26
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.
5hzg STRIGOLACTONE
ESTERASE D14

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		5 LEU A 199
ALA A 100
GLY A 103
ILE A 105
CYH A  55
 None
 1.35A 3qpsA-5hzgA:
undetectable		 3qpsA-5hzgA:
20.56
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.
5kbw RIBOFLAVIN
TRANSPORTER RIBU

(Thermotoga
maritima) 		PF12822
(ECF_trnsprt) 		5 LEU A  83
ALA A 117
PHE A 118
GLY A 121
PHE A 148
 RBF  A 201 (-4.5A)
None
None
None
RBF  A 201 (-4.9A)
 1.39A 3qpsA-5kbwA:
3.2		 3qpsA-5kbwA:
22.17
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.
5lsm FMN-DEPENDENT
NITRONATE
MONOOXYGENASE

(Shewanella
oneidensis) 		PF03060
(NMO) 		5 ALA A  35
PHE A  13
GLY A  37
ILE A  15
CYH A 247
 None
 1.47A 3qpsA-5lsmA:
undetectable		 3qpsA-5lsmA:
18.66
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.
5m8i CUGBP ELAV-LIKE
FAMILY MEMBER 2

(Homo sapiens) 		no annotation 5 ALA A  58
PHE A  74
GLY A  73
ILE A  33
PHE A  52
 None
A  B 118 ( 3.3A)
None
None
None
 1.46A 3qpsA-5m8iA:
undetectable		 3qpsA-5m8iA:
20.91
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.
5v07 EXONUCLEASE 1

(Homo sapiens) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 PHE Z 215
ALA Z 176
PHE Z 177
GLY Z 178
CYH Z 203
 None
 1.42A 3qpsA-5v07Z:
undetectable		 3qpsA-5v07Z:
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.
5x03 HTH-TYPE
TRANSCRIPTIONAL
REGULATORY PROTEIN
GABR

(Bacillus
subtilis) 		PF00155
(Aminotran_1_2) 		5 LEU A 378
ALA A 450
PHE A 449
GLY A 448
ILE A 447
 None
 1.29A 3qpsA-5x03A:
undetectable		 3qpsA-5x03A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x9r CITRATE-SODIUM
SYMPORTER

(Klebsiella
pneumoniae) 		PF03390
(2HCT) 		5 ALA A 155
PHE A 158
GLY A 159
ILE A 162
PHE A 222
 None
 0.80A 3qpsA-5x9rA:
undetectable		 3qpsA-5x9rA:
18.20
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.
5zkp PLATELET-ACTIVATING
FACTOR
RECEPTOR,FLAVODOXIN,
PLATELET-ACTIVATING
FACTOR RECEPTOR

(Desulfovibrio
vulgaris;
Homo sapiens) 		no annotation 5 LEU A  70
PHE A  26
GLY A  29
ILE A  25
PHE A  97
 None
None
None
None
9ER  A1201 (-3.9A)
 1.20A 3qpsA-5zkpA:
undetectable		 3qpsA-5zkpA:
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.
6bni LYSINE--TRNA LIGASE

(Cryptosporidium
parvum) 		no annotation 5 LEU A 519
ALA A 222
ILE A 330
TRP A 517
PHE A 230
 None
 1.37A 3qpsA-6bniA:
undetectable		 3qpsA-6bniA:
undetectable