SIMILAR PATTERNS OF AMINO ACIDS FOR 3QX3_D_EVPD1

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.
1d9z EXCINUCLEASE UVRABC
COMPONENT UVRB

([Bacillus]
caldotenax) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF12344
(UvrB) 		4 GLY A   3
ASP A 135
ARG A 134
GLN A  55
 None
 1.32A 3qx3B-1d9zA:
2.6		 3qx3B-1d9zA:
23.38
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.
1epz DTDP-6-DEOXY-D-XYLO-
4-HEXULOSE
3,5-EPIMERASE

(Methanothermobacter
thermautotrophicus) 		PF00908
(dTDP_sugar_isom) 		4 GLY A  62
ASP A 172
ARG A  61
GLN A  66
 None
TYD  A2187 ( 4.4A)
TYD  A2187 (-3.7A)
None
 1.32A 3qx3B-1epzA:
0.0		 3qx3B-1epzA:
12.75
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.
1fkm PROTEIN (GYP1P)

(Saccharomyces
cerevisiae) 		PF00566
(RabGAP-TBC) 		4 GLY A 379
ASP A 382
ARG A 482
GLN A 450
 None
 1.27A 3qx3B-1fkmA:
0.0		 3qx3B-1fkmA:
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		4 GLY A 506
ASP A 526
ARG A 505
GLN A 499
 None
 1.31A 3qx3B-1j0hA:
0.5		 3qx3B-1j0hA:
21.72
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.
1k82 FORMAMIDOPYRIMIDINE-
DNA GLYCOSYLASE

(Escherichia
coli) 		PF01149
(Fapy_DNA_glyco)
PF06827
(zf-FPG_IleRS)
PF06831
(H2TH) 		4 GLY A  75
ASP A 106
ARG A 108
MET A 158
 None
 1.45A 3qx3B-1k82A:
0.3		 3qx3B-1k82A:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kya LACCASE

(Trametes
versicolor) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 283
ASP A 282
ARG A 280
GLN A 252
 None
 1.28A 3qx3B-1kyaA:
0.0		 3qx3B-1kyaA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mab PROTEIN (F1-ATPASE
BETA CHAIN)

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 GLY B 185
ASP B 256
ARG B 260
GLN B 293
 None
PO4  B 601 ( 4.4A)
None
None
 1.24A 3qx3B-1mabB:
undetectable		 3qx3B-1mabB:
20.72
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.
1mn6 POLYKETIDE SYNTHASE
IV

(Streptomyces
venezuelae) 		PF00975
(Thioesterase) 		4 GLY A  59
ASP A  98
ARG A  97
MET A 272
 None
 1.45A 3qx3B-1mn6A:
2.7		 3qx3B-1mn6A:
16.37
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.
1pg5 ASPARTATE
CARBAMOYLTRANSFERASE

(Sulfolobus
acidocaldarius) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 GLY A 156
ASP A 157
ARG A 221
GLN A 132
 None
 1.49A 3qx3B-1pg5A:
1.5		 3qx3B-1pg5A:
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.
1sde D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptomyces
sp. R61) 		PF00144
(Beta-lactamase) 		4 GLY A  49
ASP A  45
ARG A  46
MET A 335
 None
 1.30A 3qx3B-1sdeA:
0.0		 3qx3B-1sdeA:
18.25
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.
1sma MALTOGENIC AMYLASE

(Thermus sp.
IM6501) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		4 GLY A 506
ASP A 526
ARG A 505
GLN A 499
 None
 1.04A 3qx3B-1smaA:
undetectable		 3qx3B-1smaA:
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.
1y56 SARCOSINE OXIDASE

(Pyrococcus
horikoshii) 		PF01266
(DAO) 		4 GLY B 144
ASP B 143
ARG B  52
MET B 347
 None
 1.25A 3qx3B-1y56B:
undetectable		 3qx3B-1y56B:
20.33
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 GLY A 589
ASP A 556
ARG A 555
GLN A 202
 None
 1.46A 3qx3B-1yq2A:
0.3		 3qx3B-1yq2A:
19.98
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.
2b61 HOMOSERINE
O-ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00561
(Abhydrolase_1) 		4 GLY A 354
ASP A 353
ARG A 352
GLN A 346
 None
 1.16A 3qx3B-2b61A:
1.6		 3qx3B-2b61A:
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.
2c1c CARBOXYPEPTIDASE B

(Helicoverpa zea) 		PF00246
(Peptidase_M14) 		4 GLY A 305
ASP A 306
ARG A 302
MET A 195
 None
 0.99A 3qx3B-2c1cA:
3.3		 3qx3B-2c1cA:
16.38
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.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens) 		PF00067
(p450) 		4 GLY A 285
ASP A 282
ARG A 281
GLN A 273
 None
 1.29A 3qx3B-2hi4A:
1.0		 3qx3B-2hi4A:
19.88
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.
2jg7 ANTIQUITIN

(Acanthopagrus
schlegelii) 		PF00171
(Aldedh) 		4 GLY A 157
ASP A 239
ARG A 489
GLN A 486
 None
 1.32A 3qx3B-2jg7A:
2.3		 3qx3B-2jg7A:
21.37
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.
2nq3 ITCHY HOMOLOG E3
UBIQUITIN PROTEIN
LIGASE

(Homo sapiens) 		PF00168
(C2) 		4 GLY A  96
ASP A 125
ARG A  82
GLN A  87
 None
 1.38A 3qx3B-2nq3A:
undetectable		 3qx3B-2nq3A:
12.45
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.
2nym SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 GLY C  56
ASP C  57
ARG C 239
GLN C 288
 None
MN  C 502 ( 3.2A)
None
None
 1.45A 3qx3B-2nymC:
undetectable		 3qx3B-2nymC:
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.
2p0r CALPAIN-9

(Homo sapiens) 		PF00648
(Peptidase_C2) 		4 GLY A 315
ASP A 314
ARG A 275
MET A 196
 None
CA  A1002 (-3.0A)
None
None
 1.43A 3qx3B-2p0rA:
undetectable		 3qx3B-2p0rA:
17.03
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.
2pff FATTY ACID SYNTHASE
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF16073
(SAT) 		4 GLY B 513
ASP B 503
GLN B 163
MET B 338
 None
 1.46A 3qx3B-2pffB:
undetectable		 3qx3B-2pffB:
10.00
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.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 GLY A 258
ASP A 286
ARG A 257
MET A 132
 None
 1.05A 3qx3B-2z81A:
undetectable		 3qx3B-2z81A:
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.
3bk5 PUTATIVE OUTER
MEMBRANE
LIPOPROTEIN-SORTING
PROTEIN

(Vibrio
parahaemolyticus) 		PF17131
(LolA_like) 		4 GLY A 174
ASP A 171
ARG A 172
GLN A 141
 None
 1.31A 3qx3B-3bk5A:
undetectable		 3qx3B-3bk5A:
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.
3efv PUTATIVE
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Salmonella
enterica) 		PF00171
(Aldedh) 		4 GLY A 237
ASP A 239
GLN A 266
MET A  79
 None
 1.38A 3qx3B-3efvA:
undetectable		 3qx3B-3efvA:
20.27
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.
3els PRE-MRNA LEAKAGE
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00498
(FHA) 		4 GLY A 183
ASP A 184
ARG A 181
MET A  65
 None
 1.05A 3qx3B-3elsA:
undetectable		 3qx3B-3elsA:
13.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eya PYRUVATE
DEHYDROGENASE
[CYTOCHROME]

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 GLY A 249
ASP A 247
ARG A 343
MET A 430
 None
None
PO4  A 616 (-3.7A)
None
 1.42A 3qx3B-3eyaA:
undetectable		 3qx3B-3eyaA:
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.
3h2s PUTATIVE NADH-FLAVIN
REDUCTASE

(Lactobacillus
paracasei) 		PF13460
(NAD_binding_10) 		4 GLY A  79
ASP A 133
GLN A 143
MET A 147
 None
 1.26A 3qx3B-3h2sA:
undetectable		 3qx3B-3h2sA:
14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hnp OXIDOREDUCTASE

(Bacillus cereus) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 GLY A 129
ASP A 252
GLN A 123
MET A 120
 None
 1.04A 3qx3B-3hnpA:
undetectable		 3qx3B-3hnpA:
17.93
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.
3ldt OUTER MEMBRANE
PROTEIN, OMPA FAMILY
PROTEIN

(Legionella
pneumophila) 		PF00691
(OmpA) 		4 GLY A 207
ASP A 210
GLN A 185
MET A 134
 None
 1.31A 3qx3B-3ldtA:
undetectable		 3qx3B-3ldtA:
13.33
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.
3lij CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 GLY A 420
ASP A 423
ARG A 426
MET A 508
 None
CA  A 518 (-3.1A)
None
None
 1.23A 3qx3B-3lijA:
undetectable		 3qx3B-3lijA:
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.
3mal STROMAL CELL-DERIVED
FACTOR 2-LIKE
PROTEIN

(Arabidopsis
thaliana) 		PF02815
(MIR) 		4 GLY A 143
ASP A 141
ARG A 106
GLN A  68
 None
 1.45A 3qx3B-3malA:
undetectable		 3qx3B-3malA:
13.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT

(Alcaligenes
faecalis) 		PF01804
(Penicil_amidase) 		4 GLY A  97
ASP A 100
ARG A  96
GLN A   1
 None
 0.91A 3qx3B-3ml0A:
undetectable		 3qx3B-3ml0A:
14.49
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.
3npe 9-CIS-EPOXYCAROTENOI
D DIOXYGENASE 1,
CHLOROPLASTIC

(Zea mays) 		PF03055
(RPE65) 		4 GLY A 244
ASP A 266
ARG A 199
MET A 370
 None
 1.42A 3qx3B-3npeA:
undetectable		 3qx3B-3npeA:
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.
3or2 SULFITE REDCUTASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF01077
(NIR_SIR) 		4 GLY A 320
ASP A 242
ARG A 305
MET A 193
 None
 1.32A 3qx3B-3or2A:
undetectable		 3qx3B-3or2A:
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.
3pdk PHOSPHOGLUCOSAMINE
MUTASE

(Bacillus
anthracis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 GLY A 243
ASP A 242
ARG A 245
MET A 315
 None
 1.09A 3qx3B-3pdkA:
undetectable		 3qx3B-3pdkA:
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.
3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Lactobacillus
acidophilus) 		PF00171
(Aldedh) 		4 GLY A 232
ASP A 234
GLN A 261
MET A  74
 None
 1.35A 3qx3B-3rosA:
undetectable		 3qx3B-3rosA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 GLY A1334
ASP A1337
ARG A1333
MET A1417
 None
 0.98A 3qx3B-3topA:
undetectable		 3qx3B-3topA:
22.23
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		4 GLY A 121
ASP A 113
GLN A 153
MET A 435
 None
 1.32A 3qx3B-3upyA:
undetectable		 3qx3B-3upyA:
21.16
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.
3vvc CAPSULAR
POLYSACCHARIDE
SYNTHESIS ENZYME
CAP8E

(Staphylococcus
aureus) 		PF02719
(Polysacc_synt_2)
PF08485
(Polysacc_syn_2C) 		4 GLY A 165
ASP A 125
ARG A 197
GLN A  85
 NAP  A 401 (-4.2A)
None
None
None
 1.33A 3qx3B-3vvcA:
undetectable		 3qx3B-3vvcA:
18.49
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.
3vz0 PUTATIVE
NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF00171
(Aldedh) 		4 GLY A 233
ASP A 235
GLN A 262
MET A  75
 None
 1.38A 3qx3B-3vz0A:
undetectable		 3qx3B-3vz0A:
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		4 GLY B 192
ASP B  91
GLN B  72
MET B 183
 None
 1.49A 3qx3B-3ze7B:
undetectable		 3qx3B-3ze7B:
20.84
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.
3zgj 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE

(Streptomyces
coelicolor) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		4 GLY A 349
ASP A 318
ARG A 348
GLN A 343
 None
 1.08A 3qx3B-3zgjA:
undetectable		 3qx3B-3zgjA:
18.91
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.
4a3p UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 15

(Homo sapiens) 		PF06337
(DUSP)
PF14836
(Ubiquitin_3) 		4 GLY A  27
ASP A  28
ARG A  25
GLN A 120
 None
 1.20A 3qx3B-4a3pA:
undetectable		 3qx3B-4a3pA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dgq NON-HEME
CHLOROPEROXIDASE

(Burkholderia
cenocepacia) 		PF00561
(Abhydrolase_1) 		4 GLY A   9
ASP A   8
GLN A  65
MET A 190
 None
 1.44A 3qx3B-4dgqA:
undetectable		 3qx3B-4dgqA:
16.26
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.
4es9 EPF

(Streptococcus
pyogenes) 		no annotation 4 GLY A 278
ASP A 277
ARG A 279
MET A 223
 None
 1.31A 3qx3B-4es9A:
undetectable		 3qx3B-4es9A:
17.03
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.
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1)
PF14883
(GHL13) 		4 GLY A 461
ASP A 460
ARG A 529
MET A 377
 None
 1.40A 3qx3B-4f9dA:
undetectable		 3qx3B-4f9dA:
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.
4gnr ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-BRANCHED
CHAIN AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF13458
(Peripla_BP_6) 		4 GLY A 237
ASP A 184
GLN A 248
MET A 252
 None
None
CL  A 405 (-4.1A)
None
 1.32A 3qx3B-4gnrA:
undetectable		 3qx3B-4gnrA:
18.97
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.
4hwt THREONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 GLY A 570
ARG A 534
GLN A 551
MET A 502
 None
 1.48A 3qx3B-4hwtA:
undetectable		 3qx3B-4hwtA:
19.05
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.
4ita SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Synechococcus
sp. PCC 7002) 		PF00171
(Aldedh) 		4 GLY A 231
ASP A 233
GLN A 260
MET A  73
 None
 1.44A 3qx3B-4itaA:
undetectable		 3qx3B-4itaA:
19.12
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.
4iv5 ASPARTATE
CARBAMOYLTRANSFERASE
, PUTATIVE

(Trypanosoma
cruzi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 GLY A 168
ASP A 169
GLN A 144
MET A 311
 None
 1.40A 3qx3B-4iv5A:
undetectable		 3qx3B-4iv5A:
17.71
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.
4j2o UDP-N-ACETYLGLUCOSAM
INE
4,6-DEHYDRATASE/5-EP
IMERASE

(Acinetobacter
baumannii) 		PF02719
(Polysacc_synt_2)
PF08485
(Polysacc_syn_2C) 		4 GLY A 165
ASP A 125
ARG A 197
GLN A  85
 NAP  A 400 (-4.2A)
None
None
None
 1.26A 3qx3B-4j2oA:
undetectable		 3qx3B-4j2oA:
19.80
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.
4jhv LACCASE

(Coriolopsis
caperata) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 282
ASP A 281
ARG A 279
GLN A 251
 None
 1.19A 3qx3B-4jhvA:
undetectable		 3qx3B-4jhvA:
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.
4kv7 PROBABLE
LEUCINE/ISOLEUCINE/V
ALINE-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13458
(Peripla_BP_6) 		4 GLY A 239
ASP A 242
ARG A 228
MET A 178
 None
 1.06A 3qx3B-4kv7A:
undetectable		 3qx3B-4kv7A:
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.
4o38 CYCLIN-G-ASSOCIATED
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLY A 241
ASP A 245
ARG A 172
GLN A 165
 None
 1.34A 3qx3B-4o38A:
undetectable		 3qx3B-4o38A:
17.48
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.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		4 GLY A 232
ASP A 234
GLN A 261
MET A  74
 None
 1.34A 3qx3B-4ohtA:
undetectable		 3qx3B-4ohtA:
20.36
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.
4qnx TRNA
(MO5U34)-METHYLTRANS
FERASE

(Escherichia
coli) 		PF08003
(Methyltransf_9) 		4 GLY A 150
ASP A 128
GLN A 160
MET A  83
 None
 1.22A 3qx3B-4qnxA:
undetectable		 3qx3B-4qnxA:
19.42
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.
4qts CRISPR TYPE
III-ASSOCIATED RAMP
PROTEIN CSM3

(Methanocaldococcus
jannaschii) 		PF03787
(RAMPs) 		4 GLY C  52
ASP C 110
ARG C 109
GLN C 114
 None
 1.36A 3qx3B-4qtsC:
undetectable		 3qx3B-4qtsC:
16.08
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.
4rni MOTILITY REGULATOR

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		4 GLY A  30
ASP A  31
ARG A  34
MET A 245
 None
 1.39A 3qx3B-4rniA:
undetectable		 3qx3B-4rniA:
16.75
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		4 GLY A2732
ASP A2654
ARG A2655
GLN A2742
 None
 1.33A 3qx3B-4tvcA:
undetectable		 3qx3B-4tvcA:
22.25
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.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		4 GLY A 100
ASP A 137
ARG A 209
GLN A 300
 None
 1.46A 3qx3B-4upiA:
undetectable		 3qx3B-4upiA:
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.
4xcv NADP-DEPENDENT
2-HYDROXYACID
DEHYDROGENASE

(Rhizobium etli) 		PF02826
(2-Hacid_dh_C) 		4 GLY A 222
ASP A 221
ARG A 220
MET A 145
 None
 1.33A 3qx3B-4xcvA:
undetectable		 3qx3B-4xcvA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z0h GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
GAPC1, CYTOSOLIC

(Arabidopsis
thaliana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 GLY O 316
ASP O 312
ARG O 288
GLN O  21
 None
 1.49A 3qx3B-4z0hO:
undetectable		 3qx3B-4z0hO:
18.13
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 GLY A 994
ASP A 997
ARG A 992
GLN A 986
 None
 1.39A 3qx3B-4zxiA:
undetectable		 3qx3B-4zxiA:
21.20
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 4 GLY A 976
ARG A 974
GLN A 971
MET A 941
 None
 1.24A 3qx3B-5b7iA:
undetectable		 3qx3B-5b7iA:
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.
5buv PUTATIVE EPIMERASE

(Yersinia
enterocolitica) 		PF00908
(dTDP_sugar_isom) 		4 GLY A  61
ASP A 167
ARG A  60
GLN A  65
 None
None
PO4  A 201 (-3.9A)
None
 1.30A 3qx3B-5buvA:
undetectable		 3qx3B-5buvA:
11.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5elt KH
DOMAIN-CONTAINING,
RNA-BINDING, SIGNAL
TRANSDUCTION-ASSOCIA
TED PROTEIN 3

(Homo sapiens) 		no annotation 4 GLY B  99
ASP B 125
GLN B  58
MET B 144
 None
 1.12A 3qx3B-5eltB:
undetectable		 3qx3B-5eltB:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis) 		PF13354
(Beta-lactamase2) 		4 GLY A  86
ASP A  87
ARG A  83
GLN A 206
 None
 1.01A 3qx3B-5gl9A:
undetectable		 3qx3B-5gl9A:
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA

(Methylobacillus
flagellatus) 		PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 GLY C 374
ASP C 121
ARG C 398
MET C 429
 None
 1.28A 3qx3B-5ks8C:
undetectable		 3qx3B-5ks8C:
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.
5l8s AMINO ACYL PEPTIDASE

(Sporosarcina
psychrophila) 		PF00326
(Peptidase_S9) 		4 GLY A 571
ASP A 540
ARG A 542
MET A 388
 None
 1.28A 3qx3B-5l8sA:
undetectable		 3qx3B-5l8sA:
21.39
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.
5mkg DIGUANYLATE
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		4 GLY B  30
ARG B 225
GLN B  25
MET B 245
 None
None
C2E  B 304 (-2.9A)
None
 1.16A 3qx3B-5mkgB:
undetectable		 3qx3B-5mkgB:
14.65
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.
5mrr LYTIC ENDOPEPTIDASE
PREPROENZYME

(Lysobacter sp.
XL1) 		no annotation 4 GLY A 140
ASP A 143
ARG A 111
GLN A 134
 None
 1.49A 3qx3B-5mrrA:
undetectable		 3qx3B-5mrrA:
10.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nnn CTATC

(Chaetomium
thermophilum) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 GLY A2108
ASP A2109
GLN A2084
MET A2237
 None
 1.37A 3qx3B-5nnnA:
undetectable		 3qx3B-5nnnA:
18.81
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.
5nzp D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Homo sapiens) 		no annotation 4 GLY B 152
ASP B 175
ARG B 158
GLN B 189
 9EW  B 301 ( 4.6A)
9EW  B 301 ( 4.6A)
None
None
 1.44A 3qx3B-5nzpB:
undetectable		 3qx3B-5nzpB:
13.25
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.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1

(Alicyclobacillus
acidoterrestris) 		no annotation 4 GLY A 906
ASP A 902
ARG A 904
GLN A 985
 None
None
A  B   5 ( 3.1A)
None
 1.06A 3qx3B-5u30A:
undetectable		 3qx3B-5u30A:
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.
5usw DIHYDROPTEROATE
SYNTHASE

(Aliivibrio
fischeri) 		PF00809
(Pterin_bind) 		4 GLY A  32
ARG A  77
GLN A  43
MET A  47
 None
 1.44A 3qx3B-5uswA:
undetectable		 3qx3B-5uswA:
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.
5wfi -

(-) 		no annotation 4 GLY A1644
ASP A1643
ARG A1751
GLN A1663
 GOL  A2001 (-3.5A)
None
GOL  A2001 ( 4.7A)
GOL  A2002 (-3.8A)
 1.45A 3qx3B-5wfiA:
undetectable		 3qx3B-5wfiA:
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 4 GLY A 298
ASP A 297
ARG A 295
GLN A 274
 None
 1.06A 3qx3B-5wmmA:
undetectable		 3qx3B-5wmmA:
8.03
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.
5x8t 50S RIBOSOMAL
PROTEIN L19,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF01245
(Ribosomal_L19) 		4 GLY Q 146
ASP Q 147
ARG Q 144
GLN Q 173
 None
None
C  W  71 ( 3.4A)
U  A2701 ( 4.4A)
 1.49A 3qx3B-5x8tQ:
undetectable		 3qx3B-5x8tQ:
10.87
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.
5xvs GDP/UDP-N,N'-DIACETY
LBACILLOSAMINE
2-EPIMERASE
(HYDROLYZING)

(Acinetobacter
baumannii) 		no annotation 4 GLY A 102
ASP A 103
ARG A 104
GLN A 112
 None
 0.97A 3qx3B-5xvsA:
undetectable		 3qx3B-5xvsA:
8.98
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.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 4 GLY A 399
ASP A 396
ARG A 397
GLN A 461
 None
None
None
MLI  A 703 ( 2.7A)
 1.25A 3qx3B-6b3bA:
undetectable		 3qx3B-6b3bA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 4 GLY A2964
ARG A2962
GLN A3006
MET A3076
 None
 1.20A 3qx3B-6ez8A:
undetectable		 3qx3B-6ez8A:
5.47
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.
6fmq -

(-) 		no annotation 4 GLY A 379
ASP A 389
ARG A 415
GLN A 337
 None
EDO  A 701 (-3.5A)
ACT  A 706 (-3.3A)
ACT  A 707 (-4.1A)
 1.06A 3qx3B-6fmqA:
undetectable		 3qx3B-6fmqA:
undetectable