SIMILAR PATTERNS OF AMINO ACIDS FOR 5N4I_A_SAMA501_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.
1crz TOLB PROTEIN

(Escherichia
coli)
PF04052
(TolB_N)
PF07676
(PD40)
4 SER A 183
ALA A 227
GLN A 314
THR A 270
None
1.37A 5n4iA-1crzA:
undetectable
5n4iA-1crzA:
21.54
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.
1gq2 MALIC ENZYME

(Columba livia)
PF00390
(malic)
PF03949
(Malic_M)
4 TYR A 246
SER A 244
ALA A 241
GLN A 148
None
1.31A 5n4iA-1gq2A:
1.0
5n4iA-1gq2A:
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.
1ibj CYSTATHIONINE
BETA-LYASE


(Arabidopsis
thaliana)
PF01053
(Cys_Met_Meta_PP)
4 SER A 162
ALA A 159
GLN A 306
THR A 155
None
1.13A 5n4iA-1ibjA:
undetectable
5n4iA-1ibjA:
22.22
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.
1inp INOSITOL
POLYPHOSPHATE
1-PHOSPHATASE


(Bos taurus)
PF00459
(Inositol_P)
4 SER A 118
ALA A 117
GLN A  25
THR A  27
None
1.26A 5n4iA-1inpA:
undetectable
5n4iA-1inpA:
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.
1lfw PEPV

(Lactobacillus
delbrueckii)
PF01546
(Peptidase_M20)
4 TYR A 457
SER A 175
ALA A 426
GLN A 430
None
1.08A 5n4iA-1lfwA:
undetectable
5n4iA-1lfwA:
20.43
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.
1mpt M-PROTEASE

(Bacillus
clausii)
PF00082
(Peptidase_S8)
4 SER A 141
ALA A 138
GLN A 109
THR A 134
None
1.36A 5n4iA-1mptA:
undetectable
5n4iA-1mptA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1npc NEUTRAL PROTEASE

(Bacillus cereus)
PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C)
4 SER A 135
ALA A  74
GLN A 120
THR A  42
None
1.28A 5n4iA-1npcA:
undetectable
5n4iA-1npcA:
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE


(Methylophilus
methylotrophus)
PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2)
4 SER A 158
ALA A 161
GLN A  41
THR A  90
None
1.28A 5n4iA-1o94A:
0.7
5n4iA-1o94A:
19.86
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.
1pxv CYSTEINE PROTEASE

(Staphylococcus
aureus)
PF05543
(Peptidase_C47)
4 TYR A 393
SER A 247
ALA A 244
THR A 284
None
1.26A 5n4iA-1pxvA:
undetectable
5n4iA-1pxvA:
17.60
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.
1pzx HYPOTHETICAL PROTEIN
APC36103


(Geobacillus
stearothermophilus)
PF02645
(DegV)
4 SER A 119
ALA A  86
GLN A  96
THR A  94
None
1.13A 5n4iA-1pzxA:
3.5
5n4iA-1pzxA:
21.53
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.
1s9c PEROXISOMAL
MULTIFUNCTIONAL
ENZYME TYPE 2


(Homo sapiens)
PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N)
4 SER A 223
ALA A 224
GLN A  92
THR A  59
None
1.28A 5n4iA-1s9cA:
undetectable
5n4iA-1s9cA:
21.63
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT


(Thauera
aromatica)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
4 TYR A 326
SER A 613
ALA A 614
THR A 450
None
None
EPE  A1111 ( 4.1A)
EPE  A1111 ( 4.6A)
1.08A 5n4iA-1sb3A:
undetectable
5n4iA-1sb3A:
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.
1sl5 MDC-SIGN1B TYPE I
ISOFORM


(Homo sapiens)
PF00059
(Lectin_C)
4 TYR A 268
SER A 380
ALA A 381
GLN A 264
None
1.28A 5n4iA-1sl5A:
undetectable
5n4iA-1sl5A:
17.43
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE


(Geotrichum sp.
M128)
PF15899
(BNR_6)
4 TYR A 195
SER A 187
ALA A 188
GLN A 192
None
1.33A 5n4iA-1sqjA:
undetectable
5n4iA-1sqjA:
19.46
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.
1vli SPORE COAT
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
SPSE


(Bacillus
subtilis)
PF03102
(NeuB)
PF08666
(SAF)
4 SER A 130
ALA A 129
GLN A  52
THR A 108
None
1.03A 5n4iA-1vliA:
undetectable
5n4iA-1vliA:
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.
2b2x ANTIBODY AQC2 FAB

(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 TYR L  70
SER L  24
ALA L  25
GLN L  28
None
1.23A 5n4iA-2b2xL:
undetectable
5n4iA-2b2xL:
17.35
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.
2czc GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE


(Pyrococcus
horikoshii)
PF01113
(DapB_N)
PF02800
(Gp_dh_C)
4 TYR A 156
SER A 151
ALA A 152
THR A 241
None
1.28A 5n4iA-2czcA:
undetectable
5n4iA-2czcA:
21.30
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.
2efe SIMILARITY TO
VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN VPS9
SMALL GTP-BINDING
PROTEIN-LIKE


(Arabidopsis
thaliana;
Arabidopsis
thaliana)
PF02204
(VPS9)
PF00071
(Ras)
4 TYR B  72
SER A 232
ALA A 233
THR A 195
None
1.25A 5n4iA-2efeB:
2.2
5n4iA-2efeB:
17.96
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.
2f00 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE


(Escherichia
coli)
PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
4 SER A 138
ALA A 135
GLN A 322
THR A 324
None
1.21A 5n4iA-2f00A:
2.1
5n4iA-2f00A:
24.61
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2


(Staphylococcus
aureus)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
4 SER A 246
ALA A 247
GLN A  91
THR A  10
None
1.06A 5n4iA-2gqdA:
undetectable
5n4iA-2gqdA:
23.71
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus)
PF01432
(Peptidase_M3)
4 TYR A 328
ALA A 324
GLN A  74
THR A  65
None
0.78A 5n4iA-2h1nA:
undetectable
5n4iA-2h1nA:
21.75
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.
2it6 CD209 ANTIGEN

(Homo sapiens)
PF00059
(Lectin_C)
4 TYR A 268
SER A 380
ALA A 381
GLN A 264
None
1.02A 5n4iA-2it6A:
undetectable
5n4iA-2it6A:
17.59
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.
2jan TYROSYL-TRNA
SYNTHETASE


(Mycobacterium
tuberculosis)
PF00579
(tRNA-synt_1b)
4 TYR A  36
ALA A 218
GLN A 197
THR A 220
None
1.36A 5n4iA-2janA:
2.1
5n4iA-2janA:
23.48
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.
2loz TENSIN-LIKE C1
DOMAIN-CONTAINING
PHOSPHATASE


(Homo sapiens)
PF08416
(PTB)
4 SER A1299
ALA A1298
GLN A1293
THR A1286
None
1.11A 5n4iA-2lozA:
undetectable
5n4iA-2lozA:
16.59
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.
2lqg TALIN-1

(Mus musculus)
no annotation 4 SER A1007
ALA A1004
GLN A1019
THR A 931
None
1.34A 5n4iA-2lqgA:
undetectable
5n4iA-2lqgA:
18.70
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.
2ww8 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN


(Streptococcus
pneumoniae)
PF13519
(VWA_2)
4 TYR A 352
ALA A 356
GLN A 446
THR A 391
None
1.37A 5n4iA-2ww8A:
2.1
5n4iA-2ww8A:
18.76
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.
2x7i MEVALONATE KINASE

(Staphylococcus
aureus)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
4 TYR A   6
SER A   9
ALA A 108
GLN A  90
None
1.32A 5n4iA-2x7iA:
undetectable
5n4iA-2x7iA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y9e MYOSIN-2

(Dictyostelium
discoideum)
PF00063
(Myosin_head)
PF02736
(Myosin_N)
4 TYR X 282
ALA X 228
GLN X 271
THR X 230
None
1.13A 5n4iA-2y9eX:
1.2
5n4iA-2y9eX:
20.29
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN


(Prochlorococcus
marinus)
PF00142
(Fer4_NifH)
4 SER A  54
ALA A  51
GLN A 262
THR A 247
None
1.00A 5n4iA-2ynmA:
undetectable
5n4iA-2ynmA:
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1)
no annotation 5 TYR A 328
SER A 325
ALA A 324
GLN A  74
THR A  65
None
1.16A 5n4iA-3ahmA:
undetectable
5n4iA-3ahmA:
22.22
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.
3bi3 ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE ALKB


(Escherichia
coli)
PF13532
(2OG-FeII_Oxy_2)
4 SER A  42
ALA A  41
GLN A  84
THR A  62
None
1.22A 5n4iA-3bi3A:
undetectable
5n4iA-3bi3A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cpi RAB GDP-DISSOCIATION
INHIBITOR


(Saccharomyces
cerevisiae)
PF00996
(GDI)
4 TYR G 227
SER G 223
ALA G  91
THR G  96
None
1.07A 5n4iA-3cpiG:
undetectable
5n4iA-3cpiG:
21.50
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.
3dhu ALPHA-AMYLASE

(Lactobacillus
plantarum)
PF00128
(Alpha-amylase)
4 TYR A 370
ALA A 379
GLN A 301
THR A 296
None
1.09A 5n4iA-3dhuA:
undetectable
5n4iA-3dhuA:
21.90
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.
3e4p C4-DICARBOXYLATE
TRANSPORT SENSOR
PROTEIN DCTB


(Sinorhizobium
meliloti)
no annotation 4 SER A  70
ALA A  69
GLN A 304
THR A 293
None
1.11A 5n4iA-3e4pA:
undetectable
5n4iA-3e4pA:
23.24
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.
3hbc CHOLOYLGLYCINE
HYDROLASE


(Bacteroides
thetaiotaomicron)
PF02275
(CBAH)
4 TYR A 203
ALA A 168
GLN A 195
THR A 170
None
1.13A 5n4iA-3hbcA:
undetectable
5n4iA-3hbcA:
23.21
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.
3i8b XYLULOSE KINASE

(Bifidobacterium
adolescentis)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
4 TYR A 203
SER A 199
ALA A 198
THR A 193
None
0.93A 5n4iA-3i8bA:
undetectable
5n4iA-3i8bA:
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa)
no annotation 4 SER X 418
ALA X 393
GLN X 333
THR X 377
None
1.37A 5n4iA-3kvnX:
2.7
5n4iA-3kvnX:
20.28
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.
3mgd PREDICTED
ACETYLTRANSFERASE


(Clostridium
acetobutylicum)
PF00583
(Acetyltransf_1)
4 TYR A 133
ALA A 102
GLN A  22
THR A  92
ACO  A 200 (-4.6A)
ACO  A 200 (-3.1A)
ACO  A 200 (-4.5A)
ACO  A 200 (-3.0A)
1.06A 5n4iA-3mgdA:
undetectable
5n4iA-3mgdA:
18.29
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.
3mq3 PYRUVATE
DEHYDROGENASE
PHOSPHATASE 1


(Bos taurus)
PF00481
(PP2C)
4 TYR A  23
SER A  57
ALA A  58
GLN A 120
None
1.21A 5n4iA-3mq3A:
undetectable
5n4iA-3mq3A:
25.75
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.
3n0g ISOPRENE SYNTHASE

(Populus tremula
x Populus alba)
PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C)
4 TYR A 284
SER A 584
GLN A 248
THR A 247
None
1.32A 5n4iA-3n0gA:
undetectable
5n4iA-3n0gA:
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.
3o5c CYTOCHROME C551
PEROXIDASE


(Shewanella
oneidensis)
PF00034
(Cytochrom_C)
PF03150
(CCP_MauG)
4 TYR A 180
SER A 189
ALA A 192
GLN A 197
None
1.39A 5n4iA-3o5cA:
undetectable
5n4iA-3o5cA:
20.53
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.
3r6n DESMOPLAKIN

(Homo sapiens)
no annotation 4 TYR A 378
SER A 442
ALA A 519
GLN A 386
None
1.30A 5n4iA-3r6nA:
undetectable
5n4iA-3r6nA:
23.34
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.
3sks PUTATIVE
OLIGOENDOPEPTIDASE F


(Bacillus
anthracis)
no annotation 4 TYR A 328
ALA A 324
GLN A  74
THR A  65
None
0.88A 5n4iA-3sksA:
undetectable
5n4iA-3sksA:
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.
3ugg SUCROSE:(SUCROSE/FRU
CTAN)
6-FRUCTOSYLTRANSFERA
SE


(Pachysandra
terminalis)
PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C)
4 SER A 459
ALA A 458
GLN A  18
THR A 507
None
1.38A 5n4iA-3uggA:
undetectable
5n4iA-3uggA:
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.
3vr5 V-TYPE SODIUM ATPASE
CATALYTIC SUBUNIT A


(Enterococcus
hirae)
PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn)
4 TYR A 434
ALA A 229
GLN A 403
THR A 405
None
0.93A 5n4iA-3vr5A:
1.6
5n4iA-3vr5A:
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.
3vrd FLAVOCYTOCHROME C
HEME SUBUNIT


(Thermochromatium
tepidum)
no annotation 4 SER A 172
ALA A 171
GLN A 124
THR A 126
None
1.28A 5n4iA-3vrdA:
undetectable
5n4iA-3vrdA:
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.
3wiw GLYCOSYL HYDROLASE
FAMILY 88


(Pedobacter
heparinus)
PF07470
(Glyco_hydro_88)
4 SER A 314
ALA A 315
GLN A 322
THR A 256
None
1.38A 5n4iA-3wiwA:
undetectable
5n4iA-3wiwA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b52 BACILLOLYSIN

(Paenibacillus
polymyxa)
PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C)
4 SER A 127
ALA A  66
GLN A 112
THR A  37
None
1.28A 5n4iA-4b52A:
undetectable
5n4iA-4b52A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bih UNCHARACTERIZED
LIPOPROTEIN
SAOUHSC_00053


(Staphylococcus
aureus)
PF04507
(DUF576)
4 TYR A 242
ALA A  87
GLN A  79
THR A 110
None
1.36A 5n4iA-4bihA:
undetectable
5n4iA-4bihA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c89 ESTERASE

(Lactobacillus
plantarum)
PF07859
(Abhydrolase_3)
4 TYR A  -3
SER A 128
ALA A 125
GLN A  93
None
1.12A 5n4iA-4c89A:
undetectable
5n4iA-4c89A:
23.86
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.
4cxh ELONGATION FACTOR 1A

(Oryctolagus
cuniculus)
PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
4 SER A 337
ALA A 338
GLN A 378
THR A 340
G  Y  53 ( 2.3A)
None
None
U  Y  52 ( 4.3A)
1.19A 5n4iA-4cxhA:
undetectable
5n4iA-4cxhA:
23.89
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.
4ep6 CYTOCHROME P450-LIKE
PROTEIN XPLA


(Rhodococcus
rhodochrous)
PF00067
(p450)
4 SER A 240
ALA A 237
GLN A 251
THR A 384
None
HEM  A 601 (-3.1A)
None
None
1.30A 5n4iA-4ep6A:
undetectable
5n4iA-4ep6A:
23.13
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.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis)
PF01979
(Amidohydro_1)
4 SER A 249
ALA A 250
GLN A 227
THR A 226
None
1.39A 5n4iA-4gz7A:
undetectable
5n4iA-4gz7A:
20.70
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.
4hu8 GH10 XYLANASE

(Globitermes
brachycerastes)
PF00331
(Glyco_hydro_10)
PF02368
(Big_2)
4 SER A  59
ALA A  58
GLN A  31
THR A 105
None
1.21A 5n4iA-4hu8A:
undetectable
5n4iA-4hu8A:
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE


(Yersinia pestis)
PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
4 SER A 138
ALA A 135
GLN A 322
THR A 324
None
1.19A 5n4iA-4hv4A:
3.2
5n4iA-4hv4A:
24.20
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.
4hwm UNCHARACTERIZED
PROTEIN YEDD


(Klebsiella
pneumoniae)
PF13987
(YedD)
4 TYR A 109
SER A  56
ALA A  55
GLN A  77
None
1.12A 5n4iA-4hwmA:
undetectable
5n4iA-4hwmA:
16.42
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.
4kf9 GLUTATHIONE
S-TRANSFERASE
PROTEIN


(Ralstonia
solanacearum)
PF13410
(GST_C_2)
PF13417
(GST_N_3)
4 SER A 110
ALA A 107
GLN A 159
THR A 157
None
1.05A 5n4iA-4kf9A:
undetectable
5n4iA-4kf9A:
23.24
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.
4m9a ACYL-COA
DEHYDROGENASE


(Burkholderia
thailandensis)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
4 SER A 324
ALA A 323
GLN A 318
THR A 299
None
1.37A 5n4iA-4m9aA:
undetectable
5n4iA-4m9aA:
21.79
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.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN


(Bordetella
pertussis)
PF13458
(Peripla_BP_6)
4 SER A 234
ALA A 233
GLN A 243
THR A 253
None
1.31A 5n4iA-4mptA:
3.9
5n4iA-4mptA:
21.88
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.
4mu9 GLYCOSIDE HYDROLASE
FAMILY 73


(Bacteroides
thetaiotaomicron)
PF03663
(Glyco_hydro_76)
4 TYR A 133
SER A  77
ALA A  76
THR A  44
None
1.33A 5n4iA-4mu9A:
undetectable
5n4iA-4mu9A:
21.40
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.
4q0c VIRULENCE SENSOR
PROTEIN BVGS


(Bordetella
pertussis)
PF00497
(SBP_bac_3)
4 SER A 482
ALA A 481
GLN A 461
THR A 399
None
1.34A 5n4iA-4q0cA:
undetectable
5n4iA-4q0cA:
22.49
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER


(Escherichia
coli)
PF16168
(AIDA)
4 SER A 135
ALA A 136
GLN A 166
THR A 139
289  A 434 (-1.4A)
None
None
None
1.24A 5n4iA-4q1qA:
undetectable
5n4iA-4q1qA:
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER


(Escherichia
coli)
PF16168
(AIDA)
4 SER A 154
ALA A 155
GLN A 185
THR A 158
289  A 410 ( 1.3A)
None
None
None
1.21A 5n4iA-4q1qA:
undetectable
5n4iA-4q1qA:
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER


(Escherichia
coli)
PF16168
(AIDA)
4 SER A 230
ALA A 231
GLN A 260
THR A 234
289  A 416 (-1.3A)
None
None
None
1.28A 5n4iA-4q1qA:
undetectable
5n4iA-4q1qA:
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.
4rf3 NADPH DEPENDENT
R-SPECIFIC ALCOHOL
DEHYDROGENASE


(Lactobacillus
kefiri)
PF13561
(adh_short_C2)
4 SER A 169
ALA A 170
GLN A 127
THR A 122
None
1.33A 5n4iA-4rf3A:
undetectable
5n4iA-4rf3A:
20.14
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.
4u33 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE


(Mycobacterium
tuberculosis)
PF00128
(Alpha-amylase)
PF11896
(DUF3416)
4 TYR A 691
ALA A 617
GLN A 110
THR A 112
None
1.36A 5n4iA-4u33A:
undetectable
5n4iA-4u33A:
20.70
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.
4uoo LIPOTEICHOIC ACID
SYNTHASE


(Listeria
monocytogenes)
PF00884
(Sulfatase)
4 TYR A 550
SER A 337
ALA A 340
GLN A 345
None
1.03A 5n4iA-4uooA:
2.1
5n4iA-4uooA:
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.
4v39 SIALYLTRANSFERASE

(Pasteurella
dagmatis)
PF11477
(PM0188)
4 SER A 328
ALA A 327
GLN A 257
THR A 345
None
1.39A 5n4iA-4v39A:
undetectable
5n4iA-4v39A:
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.
4wzb NITROGENASE IRON
PROTEIN 1


(Azotobacter
vinelandii)
PF00142
(Fer4_NifH)
4 SER E  44
ALA E  42
GLN E  54
THR E  56
None
1.26A 5n4iA-4wzbE:
undetectable
5n4iA-4wzbE:
22.12
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.
4xea PEPTIDASE M16 DOMAIN
PROTEIN


(Alicyclobacillus
acidocaldarius)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
4 SER A 310
ALA A 311
GLN A 314
THR A 322
None
1.35A 5n4iA-4xeaA:
undetectable
5n4iA-4xeaA:
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.
4xwj PHOSPHOCARRIER
PROTEIN HPR


(Escherichia
coli)
PF00381
(PTS-HPr)
4 SER B  43
ALA B  42
GLN B  51
THR B  52
None
1.14A 5n4iA-4xwjB:
undetectable
5n4iA-4xwjB:
13.22
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.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens)
PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase)
4 TYR A 583
SER A 585
ALA A 586
GLN A 591
None
1.29A 5n4iA-4zxlA:
undetectable
5n4iA-4zxlA:
22.20
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.
5a2o NITRATE TRANSPORTER
1.1


(Arabidopsis
thaliana)
PF00854
(PTR2)
4 TYR A 469
SER A 383
ALA A 382
THR A  57
None
1.30A 5n4iA-5a2oA:
undetectable
5n4iA-5a2oA:
20.16
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.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus)
PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C)
4 SER A 134
ALA A  73
GLN A 119
THR A  41
None
1.26A 5n4iA-5a3yA:
undetectable
5n4iA-5a3yA:
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.
5ax7 PYRUVYL TRANSFERASE
1


(Schizosaccharomyces
pombe)
PF04230
(PS_pyruv_trans)
4 TYR A 206
ALA A 225
GLN A 189
THR A 216
None
1.20A 5n4iA-5ax7A:
undetectable
5n4iA-5ax7A:
21.29
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.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN


(Nanoarchaeum
equitans)
PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn)
4 TYR A 423
ALA A 220
GLN A 392
THR A 394
None
1.01A 5n4iA-5bn4A:
1.4
5n4iA-5bn4A:
21.95
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.
5c0y EXOSOME COMPLEX
EXONUCLEASE RRP6


(Saccharomyces
cerevisiae)
PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1)
4 SER A 327
ALA A 329
GLN A 345
THR A 340
None
1.32A 5n4iA-5c0yA:
undetectable
5n4iA-5c0yA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ce5 TRIACYLGLYCEROL
LIPASE


(Geobacillus
thermocatenulatus)
no annotation 4 TYR A  30
ALA A 112
GLN A 115
THR A 164
None
1.16A 5n4iA-5ce5A:
undetectable
5n4iA-5ce5A:
23.92
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.
5cmc ML032222A IGLUR

(Mnemiopsis
leidyi)
PF10613
(Lig_chan-Glu_bd)
4 TYR A 104
SER A 100
ALA A  97
THR A 148
None
1.37A 5n4iA-5cmcA:
undetectable
5n4iA-5cmcA:
19.86
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.
5ddz RICIN

(Ricinus
communis)
PF00161
(RIP)
4 TYR A  84
SER A 149
ALA A 150
THR A 163
None
1.34A 5n4iA-5ddzA:
undetectable
5n4iA-5ddzA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ejy MYOSIN-I HEAVY CHAIN

(Dictyostelium
discoideum)
PF00784
(MyTH4)
4 SER A 206
ALA A 203
GLN A 191
THR A 189
None
1.39A 5n4iA-5ejyA:
undetectable
5n4iA-5ejyA:
21.13
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.
5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO


(Homo sapiens)
PF12933
(FTO_NTD)
PF12934
(FTO_CTD)
4 SER A 240
ALA A 241
GLN A 147
THR A 150
None
1.35A 5n4iA-5f8pA:
undetectable
5n4iA-5f8pA:
20.28
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR


(Acinetobacter
baumannii)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
4 SER A 319
ALA A 320
GLN A 264
THR A 322
None
1.31A 5n4iA-5fp1A:
undetectable
5n4iA-5fp1A:
18.96
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.
5fwx GLUTAMATE RECEPTOR 4

(Rattus
norvegicus)
PF01094
(ANF_receptor)
4 SER B 277
ALA B 278
GLN B 242
THR B 337
None
1.37A 5n4iA-5fwxB:
3.4
5n4iA-5fwxB:
20.81
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.
5ixm LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE


(Yersinia
pestis;
Yersinia pestis)
PF04453
(OstA_C)
PF04390
(LptE)
4 TYR A 128
ALA B  75
GLN B  64
THR B  66
None
1.37A 5n4iA-5ixmA:
undetectable
5n4iA-5ixmA:
19.39
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.
5j4o SPECTRIN ALPHA
CHAIN, ERYTHROCYTIC
1


(Homo sapiens)
PF00435
(Spectrin)
4 TYR A 115
SER A  43
ALA A  42
GLN A 122
None
None
None
EDO  A 304 (-3.8A)
1.38A 5n4iA-5j4oA:
undetectable
5n4iA-5j4oA:
21.43
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.
5jt8 BLO T 1 ALLERGEN

(Blomia
tropicalis)
PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29)
4 TYR A 210
SER A 169
ALA A 172
THR A 151
None
NO3  A 404 (-3.8A)
None
None
1.30A 5n4iA-5jt8A:
undetectable
5n4iA-5jt8A:
22.92
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.
5lqd ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE


(Streptomyces
venezuelae)
PF00982
(Glyco_transf_20)
4 SER A 296
ALA A 297
GLN A 302
THR A 311
None
1.28A 5n4iA-5lqdA:
undetectable
5n4iA-5lqdA:
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.
5mog PHYTOENE
DEHYDROGENASE,
CHLOROPLASTIC/CHROMO
PLASTIC


(Oryza sativa)
PF01593
(Amino_oxidase)
4 SER A 540
ALA A 539
GLN A 292
THR A 508
FAD  A 600 ( 4.3A)
None
None
None
1.35A 5n4iA-5mogA:
undetectable
5n4iA-5mogA:
22.91
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.
5n0o PEPTIDE
N-METHYLTRANSFERASE


(Omphalotus
olearius)
no annotation 5 TYR A  98
SER A 129
ALA A 130
GLN A 172
THR A 245
SAM  A 501 (-4.7A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.2A)
HSE  A 504 ( 3.3A)
SAM  A 501 (-3.6A)
0.19A 5n4iA-5n0oA:
44.5
5n4iA-5n0oA:
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.
5nen LIPASE C

(Serratia
marcescens)
no annotation 4 SER A 256
ALA A 255
GLN A  88
THR A  92
None
1.37A 5n4iA-5nenA:
undetectable
5n4iA-5nenA:
21.01
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger)
no annotation 4 SER A 191
ALA A 188
GLN A 481
THR A 482
DIO  A 614 (-4.5A)
DIO  A 614 (-3.9A)
None
None
1.27A 5n4iA-5nitA:
undetectable
5n4iA-5nitA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ol2 ELECTRON TRANSFER
FLAVOPROTEIN LARGE
SUBUNIT


(Clostridioides
difficile)
no annotation 4 TYR A 229
SER A 214
ALA A 215
THR A 245
None
0.99A 5n4iA-5ol2A:
2.2
5n4iA-5ol2A:
22.57
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.
5tu0 LMO2125 PROTEIN

(Listeria
monocytogenes)
PF13416
(SBP_bac_8)
4 SER A 248
ALA A 249
GLN A 244
THR A 190
None
1.16A 5n4iA-5tu0A:
undetectable
5n4iA-5tu0A:
21.17
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.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis)
no annotation 4 SER A 353
ALA A 354
GLN A 361
THR A 427
None
1.24A 5n4iA-5uj1A:
2.8
5n4iA-5uj1A:
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.
5xgr SPIKE PROTEIN S1

(Pipistrellus
bat coronavirus
HKU5)
PF09408
(Spike_rec_bind)
4 SER A 149
ALA A 148
GLN A 157
THR A 166
None
1.16A 5n4iA-5xgrA:
undetectable
5n4iA-5xgrA:
19.17
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.
5zal ENDORIBONUCLEASE
DICER


(Homo sapiens)
no annotation 4 TYR A 668
SER A1691
ALA A1690
GLN A1614
None
1.30A 5n4iA-5zalA:
undetectable
5n4iA-5zalA:
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.
6fur HUMAN F11 T-CELL
RECEPTOR


(Homo sapiens)
no annotation 4 TYR B  63
SER B  79
ALA B  80
THR B  12
None
1.39A 5n4iA-6furB:
undetectable
5n4iA-6furB:
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.
6fuy VINCULIN

(Homo sapiens)
no annotation 4 SER A 207
ALA A 208
GLN A 674
THR A 233
None
1.35A 5n4iA-6fuyA:
undetectable
5n4iA-6fuyA:
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.
6gbh HOPQ

(Helicobacter
pylori)
no annotation 4 SER C  81
ALA C  83
GLN C 330
THR C 292
None
1.05A 5n4iA-6gbhC:
undetectable
5n4iA-6gbhC:
undetectable