SIMILAR PATTERNS OF AMINO ACIDS FOR 3MDR_A_GJZA506_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.
1dj0 PSEUDOURIDINE
SYNTHASE I


(Escherichia
coli)
PF01416
(PseudoU_synth_1)
4 LEU A  43
PHE A  72
ILE A  12
THR A  84
None
0.86A 3mdrA-1dj0A:
undetectable
3mdrA-1dj0A:
20.26
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.
1e8t HEMAGGLUTININ-NEURAM
INIDASE


(Avian
avulavirus 1)
PF00423
(HN)
4 ILE A 548
ALA A 524
THR A 527
THR A 490
None
1.13A 3mdrA-1e8tA:
undetectable
3mdrA-1e8tA:
23.69
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.
1h2s SENSORY RHODOPSIN II
SENSORY RHODOPSIN II
TRANSDUCER


(Natronomonas
pharaonis)
PF01036
(Bac_rhodopsin)
no annotation
4 LEU A 196
ILE B  39
ALA B  40
THR A 189
None
1.05A 3mdrA-1h2sA:
1.4
3mdrA-1h2sA:
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.
1jxi PHOSPHOMETHYLPYRIMID
INE KINASE


(Salmonella
enterica)
PF08543
(Phos_pyr_kin)
4 LEU A   7
ILE A  20
ALA A  10
THR A  39
None
0.89A 3mdrA-1jxiA:
undetectable
3mdrA-1jxiA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1miq PLASMEPSIN

(Plasmodium
vivax)
PF00026
(Asp)
4 LEU A 227
PHE A 231
ILE A 287
THR A 219
None
0.95A 3mdrA-1miqA:
0.0
3mdrA-1miqA:
23.95
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.
1q50 GLUCOSE-6-PHOSPHATE
ISOMERASE


(Leishmania
mexicana)
PF00342
(PGI)
4 PHE A 318
ALA A 256
THR A 265
THR A 262
None
1.12A 3mdrA-1q50A:
0.0
3mdrA-1q50A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qs8 PLASMEPSIN

(Plasmodium
vivax)
PF00026
(Asp)
4 LEU A 227
PHE A 231
ILE A 287
THR A 219
None
0.88A 3mdrA-1qs8A:
0.1
3mdrA-1qs8A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r2k MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
B


(Escherichia
coli)
no annotation 4 LEU B  91
PHE B  94
ILE B 132
ALA B 124
None
1.02A 3mdrA-1r2kB:
undetectable
3mdrA-1r2kB:
16.52
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.
1raj GENOME POLYPROTEIN

(Enterovirus C)
PF00680
(RdRP_1)
4 LEU A 374
PHE A 373
ILE A 324
ALA A 325
None
0.74A 3mdrA-1rajA:
0.2
3mdrA-1rajA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rdr POLIOVIRUS 3D
POLYMERASE


(Enterovirus C)
PF00680
(RdRP_1)
4 LEU A 374
PHE A 373
ILE A 324
ALA A 325
None
0.70A 3mdrA-1rdrA:
undetectable
3mdrA-1rdrA:
25.33
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.
1ta9 GLYCEROL
DEHYDROGENASE


(Schizosaccharomyces
pombe)
PF00465
(Fe-ADH)
4 LEU A 347
ILE A 414
ALA A 411
THR A 391
None
0.97A 3mdrA-1ta9A:
undetectable
3mdrA-1ta9A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tp7 GENOME POLYPROTEIN

(Rhinovirus A)
PF00680
(RdRP_1)
4 LEU A 373
PHE A 372
ILE A 323
ALA A 324
None
0.72A 3mdrA-1tp7A:
undetectable
3mdrA-1tp7A:
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.
1xr6 GENOME POLYPROTEIN

(Rhinovirus A)
PF00680
(RdRP_1)
4 LEU A 373
PHE A 372
ILE A 323
ALA A 324
None
0.73A 3mdrA-1xr6A:
undetectable
3mdrA-1xr6A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yg8 ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT


(Escherichia
coli)
PF00574
(CLP_protease)
4 LEU A 102
ILE A  43
ALA A  40
THR A  79
None
0.79A 3mdrA-1yg8A:
undetectable
3mdrA-1yg8A:
18.38
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.
1zcz BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH


(Thermotoga
maritima)
PF01808
(AICARFT_IMPCHas)
PF02142
(MGS)
4 LEU A 408
PHE A 402
ALA A 380
THR A 384
None
1.08A 3mdrA-1zczA:
undetectable
3mdrA-1zczA:
26.11
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.
2ane ATP-DEPENDENT
PROTEASE LA


(Escherichia
coli)
PF02190
(LON_substr_bdg)
4 LEU A  29
ILE A  50
ALA A  75
THR A  73
None
0.90A 3mdrA-2aneA:
undetectable
3mdrA-2aneA:
16.30
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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
4 LEU A 251
PHE A 141
ILE A 125
ALA A 134
None
0.96A 3mdrA-2bc0A:
undetectable
3mdrA-2bc0A:
21.61
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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA


(Escherichia
coli)
PF02233
(PNTB)
4 LEU C  57
ILE C 182
ALA C  24
THR C 108
None
0.86A 3mdrA-2bruC:
undetectable
3mdrA-2bruC:
16.81
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.
2cya TYROSYL-TRNA
SYNTHETASE


(Aeropyrum
pernix)
PF00579
(tRNA-synt_1b)
4 LEU A  62
PHE A  69
ILE A  40
THR A 211
None
1.07A 3mdrA-2cyaA:
undetectable
3mdrA-2cyaA:
24.06
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.
2d86 VAV-3 PROTEIN

(Homo sapiens)
PF11971
(CAMSAP_CH)
4 PHE A  93
ILE A 127
ALA A 128
THR A 131
None
0.96A 3mdrA-2d86A:
undetectable
3mdrA-2d86A:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dzn PROBABLE 26S
PROTEASOME
REGULATORY SUBUNIT
P28


(Saccharomyces
cerevisiae)
PF12796
(Ank_2)
4 LEU A  64
ILE A  78
ALA A  79
THR A  52
None
0.76A 3mdrA-2dznA:
undetectable
3mdrA-2dznA:
20.87
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.
2g9b CALBINDIN

(Rattus
norvegicus)
PF13405
(EF-hand_6)
PF13499
(EF-hand_7)
4 LEU A  39
PHE A  23
ILE A  19
ALA A   2
None
0.96A 3mdrA-2g9bA:
undetectable
3mdrA-2g9bA:
18.28
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.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE


(Enterovirus C)
PF00548
(Peptidase_C3)
PF00680
(RdRP_1)
4 LEU 1 557
PHE 1 556
ILE 1 507
ALA 1 508
None
0.80A 3mdrA-2ijd1:
undetectable
3mdrA-2ijd1:
21.71
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.
2pyw UNCHARACTERIZED
PROTEIN


(Arabidopsis
thaliana)
PF01636
(APH)
4 LEU A 399
PHE A 395
ILE A 416
ALA A 415
None
0.97A 3mdrA-2pywA:
undetectable
3mdrA-2pywA:
22.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q9g CYTOCHROME P450 46A1

(Homo sapiens)
PF00067
(p450)
6 LEU A 112
PHE A 121
ILE A 301
ALA A 302
THR A 306
THR A 475
None
None
None
HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
None
0.60A 3mdrA-2q9gA:
65.8
3mdrA-2q9gA:
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.
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE


(Escherichia
coli)
PF00275
(EPSP_synthase)
4 LEU A 280
ILE A 255
ALA A 252
THR A 317
None
1.05A 3mdrA-2qfqA:
undetectable
3mdrA-2qfqA:
22.35
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.
2qoj INTRON-ENCODED DNA
ENDONUCLEASE I-ANII


(Aspergillus
nidulans)
PF00961
(LAGLIDADG_1)
4 LEU Z 141
PHE Z 137
ILE Z 132
ALA Z 180
None
1.01A 3mdrA-2qojZ:
undetectable
3mdrA-2qojZ:
19.69
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.
2rko VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 4


(Saccharomyces
cerevisiae)
PF00004
(AAA)
PF09336
(Vps4_C)
4 LEU A 327
PHE A 308
ILE A 339
THR A 413
None
1.11A 3mdrA-2rkoA:
undetectable
3mdrA-2rkoA:
22.08
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.
2vyc BIODEGRADATIVE
ARGININE
DECARBOXYLASE


(Escherichia
coli)
PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C)
4 LEU A 685
PHE A 710
THR A 738
THR A 741
None
0.99A 3mdrA-2vycA:
undetectable
3mdrA-2vycA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w45 ALKALINE EXONUCLEASE

(Human
gammaherpesvirus
4)
PF01771
(Herpes_alk_exo)
4 LEU A 323
PHE A 258
ILE A 262
THR A 389
None
1.11A 3mdrA-2w45A:
undetectable
3mdrA-2w45A:
22.33
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.
2wqs AGGLUTININ RECEPTOR

(Streptococcus
gordonii)
PF16364
(Antigen_C)
4 LEU A1366
ALA A1377
THR A1322
THR A1346
None
1.06A 3mdrA-2wqsA:
undetectable
3mdrA-2wqsA:
21.67
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.
2wyr COBALT-ACTIVATED
PEPTIDASE TET1


(Pyrococcus
horikoshii)
PF05343
(Peptidase_M42)
4 PHE A 175
ILE A 226
ALA A  60
THR A 284
None
1.06A 3mdrA-2wyrA:
undetectable
3mdrA-2wyrA:
24.19
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.
2y89 PHOSPHORIBOSYL
ISOMERASE A


(Mycobacterium
tuberculosis)
PF00977
(His_biosynth)
4 LEU A   6
ILE A 212
ALA A 213
THR A 216
None
0.95A 3mdrA-2y89A:
undetectable
3mdrA-2y89A:
21.59
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.
3b6y GAMMA-INTERFERON-IND
UCIBLE PROTEIN
IFI-16


(Homo sapiens)
PF02760
(HIN)
4 PHE A 168
ILE A 188
THR A 153
THR A 133
None
1.03A 3mdrA-3b6yA:
undetectable
3mdrA-3b6yA:
19.68
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981)
4 LEU A 269
PHE A 313
ILE A 283
ALA A 284
None
0.96A 3mdrA-3bgaA:
undetectable
3mdrA-3bgaA:
18.68
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.
3c6g CYTOCHROME P450 2R1

(Homo sapiens)
PF00067
(p450)
4 ILE A 309
ALA A 310
THR A 314
THR A 488
None
HEM  A 601 (-3.3A)
HEM  A 601 (-3.4A)
VD3  A 701 ( 4.6A)
0.42A 3mdrA-3c6gA:
34.6
3mdrA-3c6gA:
27.25
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.
3d34 SPONDIN-2

(Homo sapiens)
PF06468
(Spond_N)
4 PHE A  98
ILE A  19
ALA A 112
THR A 110
None
1.12A 3mdrA-3d34A:
undetectable
3mdrA-3d34A:
19.04
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.
3ejb BIOTIN BIOSYNTHESIS
CYTOCHROME P450-LIKE
ENZYME


(Bacillus
subtilis)
PF00067
(p450)
4 LEU B  81
ILE B 233
ALA B 234
THR B 238
HEM  B 405 (-4.3A)
None
HEM  B 405 (-3.5A)
HEM  B 405 (-3.7A)
0.74A 3mdrA-3ejbB:
35.7
3mdrA-3ejbB:
26.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fed GLUTAMATE
CARBOXYPEPTIDASE III


(Homo sapiens)
PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28)
4 LEU A 459
PHE A 585
ILE A 437
ALA A 438
None
1.08A 3mdrA-3fedA:
undetectable
3mdrA-3fedA:
19.67
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.
3h74 PYRIDOXAL KINASE

(Lactobacillus
plantarum)
PF08543
(Phos_pyr_kin)
4 LEU A 240
ILE A 219
ALA A 216
THR A 177
GOL  A 283 ( 4.2A)
None
None
None
1.03A 3mdrA-3h74A:
undetectable
3mdrA-3h74A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hwr 2-DEHYDROPANTOATE
2-REDUCTASE


(Cupriavidus
pinatubonensis)
PF02558
(ApbA)
PF08546
(ApbA_C)
4 LEU A 199
ILE A 191
ALA A 187
THR A 249
None
1.11A 3mdrA-3hwrA:
undetectable
3mdrA-3hwrA:
19.65
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.
3ic1 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE


(Haemophilus
influenzae)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 LEU A  33
PHE A  38
ILE A 126
ALA A 127
None
0.81A 3mdrA-3ic1A:
undetectable
3mdrA-3ic1A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iuk UNCHARACTERIZED
PROTEIN


(Paenarthrobacter
aurescens)
PF05960
(DUF885)
4 LEU A 196
ILE A 132
ALA A 133
THR A 208
None
1.07A 3mdrA-3iukA:
undetectable
3mdrA-3iukA:
22.93
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.
3jb5 MAJOR CAPSID PROTEIN

(Propionibacterium
virus PA6)
no annotation 4 LEU A  34
PHE A 246
ILE A 242
THR A 226
None
1.08A 3mdrA-3jb5A:
undetectable
3mdrA-3jb5A:
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.
3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC


(Carboxydothermus
hydrogenoformans)
PF01656
(CbiA)
4 LEU A  99
ILE A  21
THR A  14
THR A  45
None
1.07A 3mdrA-3kjeA:
undetectable
3mdrA-3kjeA:
21.38
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.
3oqp PUTATIVE
ISOCHORISMATASE


(Paraburkholderia
xenovorans)
PF00857
(Isochorismatase)
4 LEU A   8
ILE A  36
ALA A  37
THR A 178
None
0.93A 3mdrA-3oqpA:
undetectable
3mdrA-3oqpA:
16.29
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.
3orf DIHYDROPTERIDINE
REDUCTASE


(Dictyostelium
discoideum)
PF00106
(adh_short)
4 PHE A  88
ILE A 136
ALA A 137
THR A 141
None
0.93A 3mdrA-3orfA:
undetectable
3mdrA-3orfA:
19.02
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.
3ow8 WD REPEAT-CONTAINING
PROTEIN 61


(Homo sapiens)
PF00400
(WD40)
4 LEU A 121
PHE A 114
ILE A  78
ALA A  79
None
0.89A 3mdrA-3ow8A:
undetectable
3mdrA-3ow8A:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qm3 FRUCTOSE-BISPHOSPHAT
E ALDOLASE


(Campylobacter
jejuni)
PF01116
(F_bP_aldolase)
4 LEU A 236
ILE A 213
ALA A 214
THR A 192
None
0.82A 3mdrA-3qm3A:
undetectable
3mdrA-3qm3A:
22.29
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.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT


(Legionella
pneumophila)
PF01596
(Methyltransf_3)
4 LEU A 159
PHE A 137
ILE A  89
THR A 124
None
0.86A 3mdrA-3r3hA:
undetectable
3mdrA-3r3hA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens)
PF01593
(Amino_oxidase)
4 LEU A 154
PHE A 150
ILE A 171
THR A 202
None
1.03A 3mdrA-3rhaA:
undetectable
3mdrA-3rhaA:
23.12
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.
3s7w EIGHT-HEME NITRITE
REDUCTASE


(Thioalkalivibrio
nitratireducens)
PF02335
(Cytochrom_C552)
4 LEU A 356
PHE A 347
ILE A 104
ALA A 105
None
0.90A 3mdrA-3s7wA:
undetectable
3mdrA-3s7wA:
19.19
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.
3swe UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE


(Haemophilus
influenzae)
PF00275
(EPSP_synthase)
4 LEU A  74
ILE A  33
ALA A  31
THR A  53
None
1.07A 3mdrA-3sweA:
undetectable
3mdrA-3sweA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b0t PUP--PROTEIN LIGASE

(Corynebacterium
glutamicum)
PF03136
(Pup_ligase)
4 ILE A 234
ALA A 235
THR A  80
THR A 401
None
1.09A 3mdrA-4b0tA:
undetectable
3mdrA-4b0tA:
22.87
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.
4cja BURRH

(Paraburkholderia
rhizoxinica)
PF03377
(TAL_effector)
4 LEU A  77
PHE A  82
ILE A 120
ALA A 121
None
0.85A 3mdrA-4cjaA:
undetectable
3mdrA-4cjaA:
22.06
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus)
PF03486
(HI0933_like)
4 LEU A 257
ILE A 289
ALA A 290
THR A 294
None
1.05A 3mdrA-4cnkA:
undetectable
3mdrA-4cnkA:
23.95
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.
4da9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE


(Sinorhizobium
meliloti)
PF13561
(adh_short_C2)
4 ILE A  59
ALA A  34
THR A  36
THR A  74
None
1.11A 3mdrA-4da9A:
undetectable
3mdrA-4da9A:
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.
4gp1 POLYPRENYL
SYNTHETASE


(Pyrobaculum
calidifontis)
PF00348
(polyprenyl_synt)
4 LEU A 315
PHE A 213
ALA A  56
THR A 323
None
0.95A 3mdrA-4gp1A:
undetectable
3mdrA-4gp1A:
23.36
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.
4h63 MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 22


(Schizosaccharomyces
pombe)
PF06179
(Med22)
PF10156
(Med17)
4 LEU Q 469
ILE Q 392
ALA Q 391
THR V 106
None
1.08A 3mdrA-4h63Q:
undetectable
3mdrA-4h63Q:
21.68
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.
4hzc CYSE, SERINE
ACETYLTRANSFERASE


(Brucella
abortus)
PF00132
(Hexapep)
PF06426
(SATase_N)
4 LEU A 126
PHE A  77
ILE A  59
ALA A  60
None
1.10A 3mdrA-4hzcA:
undetectable
3mdrA-4hzcA:
21.62
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.
4ic5 PROTEASE DO-LIKE 5,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF13365
(Trypsin_2)
4 LEU A  94
ILE A 221
ALA A 220
THR A 277
None
0.96A 3mdrA-4ic5A:
undetectable
3mdrA-4ic5A:
23.36
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.
4iiw LMO1499 PROTEIN

(Listeria
monocytogenes)
PF02618
(YceG)
4 LEU A 183
ILE A 133
ALA A 130
THR A 148
None
1.03A 3mdrA-4iiwA:
undetectable
3mdrA-4iiwA:
21.06
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.
4jjp PHOSPHOMETHYLPYRIMID
INE KINASE


(Clostridioides
difficile)
PF08543
(Phos_pyr_kin)
4 LEU A   9
ILE A  22
ALA A  12
THR A  41
None
0.82A 3mdrA-4jjpA:
undetectable
3mdrA-4jjpA:
19.48
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.
4jkg PRE-MRNA-PROCESSING-
SPLICING FACTOR 8


(Homo sapiens)
PF12134
(PRP8_domainIV)
4 LEU B1817
ILE B1807
ALA B1806
THR B1783
None
0.84A 3mdrA-4jkgB:
undetectable
3mdrA-4jkgB:
19.87
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.
4jlv C-TERMINAL FRAGMENT
OF MEMBRANE PROTEIN
CAPA1, PUTATIVE
UNCHARACTERIZED
PROTEIN CAPB1


(Staphylococcus
aureus)
PF13614
(AAA_31)
4 LEU A1143
PHE A1147
ILE A1111
THR A1105
None
0.95A 3mdrA-4jlvA:
undetectable
3mdrA-4jlvA:
20.21
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.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa)
PF00291
(PALP)
4 LEU A  93
ILE A  80
ALA A  81
THR A  74
None
None
None
CYS  A 401 (-3.6A)
1.09A 3mdrA-4lmbA:
undetectable
3mdrA-4lmbA:
22.41
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.
4my5 PUTATIVE AMINO ACID
AMINOTRANSFERASE


(Streptococcus
mutans)
PF00155
(Aminotran_1_2)
4 LEU A 235
ILE A  48
ALA A 277
THR A 283
None
1.08A 3mdrA-4my5A:
undetectable
3mdrA-4my5A:
22.93
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT B,
MITOCHONDRIAL


(Saccharomyces
cerevisiae)
PF01425
(Amidase)
PF02934
(GatB_N)
4 LEU A 319
PHE A 320
ILE A 303
THR B 173
None
1.08A 3mdrA-4n0iA:
undetectable
3mdrA-4n0iA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ol0 TRANSPORTIN-3

(Homo sapiens)
PF08389
(Xpo1)
4 ILE B 781
ALA B 782
THR B 785
THR B 840
None
1.11A 3mdrA-4ol0B:
undetectable
3mdrA-4ol0B:
21.18
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli)
PF02395
(Peptidase_S6)
4 ILE A  62
ALA A  67
THR A  69
THR A 227
None
1.10A 3mdrA-4om9A:
undetectable
3mdrA-4om9A:
17.08
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.
4ppz SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE


(Neisseria
meningitidis)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 LEU A  29
ILE A 106
ALA A 107
THR A 111
None
1.13A 3mdrA-4ppzA:
undetectable
3mdrA-4ppzA:
22.27
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.
4ppz SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE


(Neisseria
meningitidis)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 LEU A  34
PHE A  39
ILE A 127
ALA A 128
None
0.75A 3mdrA-4ppzA:
undetectable
3mdrA-4ppzA:
22.27
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.
4py5 RIBONUCLEASE

(Thermovibrio
ammonificans)
PF01351
(RNase_HII)
4 LEU A 107
ILE A 216
ALA A 213
THR A 128
None
1.10A 3mdrA-4py5A:
undetectable
3mdrA-4py5A:
22.38
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.
4r12 PUTATIVE
UNCHARACTERIZED
PROTEIN


(Dictyostelium
purpureum)
PF05450
(Nicastrin)
4 PHE A 455
ILE A 341
THR A 364
THR A 369
None
1.09A 3mdrA-4r12A:
undetectable
3mdrA-4r12A:
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.
4y21 PROTEIN UNC-13
HOMOLOG A


(Rattus
norvegicus)
PF06292
(DUF1041)
PF10540
(Membr_traf_MHD)
4 LEU A 404
ALA A 498
THR A 543
THR A 540
None
0.97A 3mdrA-4y21A:
undetectable
3mdrA-4y21A:
23.72
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.
4zpd RNA-DIRECTED RNA
POLYMERASE


(Enterovirus B)
PF00680
(RdRP_1)
4 LEU A 375
PHE A 374
ILE A 325
ALA A 326
None
0.70A 3mdrA-4zpdA:
undetectable
3mdrA-4zpdA:
21.23
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN


(Campylobacter
jejuni)
PF07196
(Flagellin_IN)
PF07559
(FlaE)
4 PHE A 526
ILE A 531
ALA A 528
THR A 568
None
1.12A 3mdrA-5az4A:
undetectable
3mdrA-5az4A:
20.65
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.
5cq9 SECRETED EFFECTOR
PROTEIN SOPD2


(Salmonella
enterica)
PF11047
(SopD)
4 LEU A 306
PHE A 229
ILE A 225
THR A 206
None
1.12A 3mdrA-5cq9A:
undetectable
3mdrA-5cq9A:
20.42
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.
5d95 AMINOTRANSFERASE
CLASS-III


(Sphaerobacter
thermophilus)
PF00202
(Aminotran_3)
4 LEU A 197
PHE A 150
ILE A 221
THR A 245
None
0.82A 3mdrA-5d95A:
undetectable
3mdrA-5d95A:
21.80
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.
5dlq EXPORTIN-4

(Mus musculus)
no annotation 4 LEU B1134
ALA B1073
THR B1030
THR B1080
None
1.12A 3mdrA-5dlqB:
undetectable
3mdrA-5dlqB:
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.
5dqq TWO PORE CALCIUM
CHANNEL PROTEIN 1


(Arabidopsis
thaliana)
PF00520
(Ion_trans)
4 PHE A 284
ILE A 233
ALA A 230
THR A 254
None
1.12A 3mdrA-5dqqA:
undetectable
3mdrA-5dqqA:
22.07
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.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE


(Bacillus
megaterium)
PF00067
(p450)
4 ILE A 263
ALA A 264
THR A 268
THR A 438
None
HEM  A 501 (-3.6A)
HEM  A 501 (-3.4A)
None
0.71A 3mdrA-5e78A:
43.3
3mdrA-5e78A:
25.83
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.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE


(Bacillus
megaterium)
PF00067
(p450)
4 LEU A  75
ILE A 263
ALA A 264
THR A 268
None
None
HEM  A 501 (-3.6A)
HEM  A 501 (-3.4A)
0.80A 3mdrA-5e78A:
43.3
3mdrA-5e78A:
25.83
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.
5fql IDURONATE-2-SULFATAS
E


(Homo sapiens)
PF00884
(Sulfatase)
4 LEU A 377
PHE A 378
ILE A 329
THR A 367
None
1.13A 3mdrA-5fqlA:
undetectable
3mdrA-5fqlA:
21.78
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.
5gsm EXO-BETA-D-GLUCOSAMI
NIDASE


(Thermococcus
kodakarensis)
PF02449
(Glyco_hydro_42)
4 LEU A 363
PHE A 317
ILE A 325
THR A 476
None
1.09A 3mdrA-5gsmA:
undetectable
3mdrA-5gsmA:
20.45
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.
5hb4 NUP192,NUCLEOPORIN
NUP192


(Chaetomium
thermophilum)
PF11894
(Nup192)
4 LEU B 493
PHE B 485
ILE B 471
THR B 433
None
0.80A 3mdrA-5hb4B:
undetectable
3mdrA-5hb4B:
14.62
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.
5jjp NONRIBOSOMAL PEPTIDE
SYNTHASE


(Streptomyces
sp. MJ635-86F5)
PF00501
(AMP-binding)
4 LEU A  86
PHE A  85
ILE A 222
ALA A 223
None
0.76A 3mdrA-5jjpA:
undetectable
3mdrA-5jjpA:
22.61
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.
5kzt PEPTIDE/NICKEL
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN


(Listeria
monocytogenes)
PF00496
(SBP_bac_5)
4 LEU A 468
PHE A 469
ILE A 521
THR A 302
None
1.08A 3mdrA-5kztA:
undetectable
3mdrA-5kztA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lc5 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
2, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL


(Bos taurus)
PF00346
(Complex1_49kDa)
PF01058
(Oxidored_q6)
4 LEU D 159
PHE D 167
ALA B  63
THR B  49
None
1.12A 3mdrA-5lc5D:
undetectable
3mdrA-5lc5D:
22.24
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.
5lkd GLUTATHIONE
S-TRANSFERASE
OMEGA-LIKE 2


(Saccharomyces
cerevisiae)
PF13409
(GST_N_2)
PF13410
(GST_C_2)
4 LEU A 326
PHE A 333
ILE A 288
THR A 278
None
0.98A 3mdrA-5lkdA:
undetectable
3mdrA-5lkdA:
23.53
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.
5n2u NUCLEOPROTEIN

(Influenza D
virus)
no annotation 4 LEU A 264
PHE A 231
ALA A 439
THR A 462
None
0.76A 3mdrA-5n2uA:
undetectable
3mdrA-5n2uA:
11.63
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.
5nhb XYLOSE ISOMERASE

(Piromyces sp.
E2)
no annotation 4 LEU A 350
PHE A   6
ILE A  90
ALA A  86
None
1.04A 3mdrA-5nhbA:
undetectable
3mdrA-5nhbA:
22.54
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.
5ul4 OXSB PROTEIN

(Bacillus
megaterium)
PF02310
(B12-binding)
4 LEU A 385
ILE A 358
THR A 309
THR A 338
None
1.08A 3mdrA-5ul4A:
undetectable
3mdrA-5ul4A:
21.66
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.
5vhj 26S PROTEASOME
REGULATORY SUBUNIT 4


(Homo sapiens)
PF00004
(AAA)
4 LEU B 341
ILE B 290
ALA B 289
THR B 331
None
1.08A 3mdrA-5vhjB:
undetectable
3mdrA-5vhjB:
19.35
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.
5wy4 PUTATIVE
UNCHARACTERIZED
PROTEIN


(Chaetomium
thermophilum)
no annotation 4 LEU A 167
PHE A 166
ILE A 182
ALA A 181
None
1.07A 3mdrA-5wy4A:
undetectable
3mdrA-5wy4A:
11.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xe0 GENOME POLYPROTEIN

(Enterovirus D)
PF00680
(RdRP_1)
4 LEU A 370
PHE A 369
ILE A 320
ALA A 321
None
0.79A 3mdrA-5xe0A:
undetectable
3mdrA-5xe0A:
23.16
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.
5xwb 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE


(Colwellia
psychrerythraea)
PF00275
(EPSP_synthase)
4 LEU A 281
ILE A 256
ALA A 253
THR A 318
None
1.12A 3mdrA-5xwbA:
undetectable
3mdrA-5xwbA:
21.18
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.
6cfz DAD2
SPC19
SPC34


(Chaetomium
thermophilum)
no annotation 4 LEU J  33
ALA C  90
THR I  55
THR J  40
None
1.13A 3mdrA-6cfzJ:
undetectable
3mdrA-6cfzJ:
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE


(Moorella
thermoacetica)
no annotation 4 LEU A 119
ILE A 840
THR A1001
THR A  29
None
None
HTL  A1204 ( 4.2A)
None
0.88A 3mdrA-6cipA:
undetectable
3mdrA-6cipA:
10.53
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.
6da0 GLUCOKINASE

(Naegleria
fowleri)
no annotation 4 LEU A 145
PHE A 146
ILE A 113
THR A  60
None
1.13A 3mdrA-6da0A:
undetectable
3mdrA-6da0A:
11.04