SIMILAR PATTERNS OF AMINO ACIDS FOR 3QX3_A_EVPA1_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.
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
 1.35A 3qx3A-1d9zA:
2.1		 3qx3A-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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 GLY A1234
ASP A1233
ARG A1287
GLN A1109
 None
 1.28A 3qx3A-1e6yA:
1.6		 3qx3A-1e6yA:
22.43
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.
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
 1.29A 3qx3A-1epzA:
undetectable		 3qx3A-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
 1.26A 3qx3A-1fkmA:
0.0		 3qx3A-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.
1iwl OUTER-MEMBRANE
LIPOPROTEINS CARRIER
PROTEIN

(Escherichia
coli) 		PF03548
(LolA) 		4 GLY A 135
ASP A 134
ARG A 133
GLN A 139
 None
ZN  A 193 ( 3.9A)
None
None
 1.41A 3qx3A-1iwlA:
undetectable		 3qx3A-1iwlA:
13.49
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.
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
 1.43A 3qx3A-1k82A:
undetectable		 3qx3A-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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1
METHANOL
DEHYDROGENASE
SUBUNIT 2

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF02315
(MDH)
PF13360
(PQQ_2) 		4 GLY A 131
ASP A 130
ARG A 126
MET B  58
 None
 1.12A 3qx3A-1lrwA:
undetectable		 3qx3A-1lrwA:
21.31
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 GLY A 376
ASP A 377
ARG A 374
GLN A 254
 None
 1.46A 3qx3A-1ovmA:
2.6		 3qx3A-1ovmA:
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.
1pg5 ASPARTATE
CARBAMOYLTRANSFERASE

(Sulfolobus
acidocaldarius) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 GLY A 156
ASP A 157
ARG A 221
GLN A 132
 None
 1.47A 3qx3A-1pg5A:
0.0		 3qx3A-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.
1rli TRP REPRESSOR
BINDING PROTEIN

(Bacillus
subtilis) 		PF03358
(FMN_red) 		4 GLY A  13
ASP A  17
ARG A  11
GLN A  25
 None
 1.44A 3qx3A-1rliA:
2.9		 3qx3A-1rliA:
12.93
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.
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
 1.38A 3qx3A-1sdeA:
undetectable		 3qx3A-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.
1sfc PROTEIN (SNAP-25B)
PROTEIN
(SYNAPTOBREVIN 2)
PROTEIN (SYNTAXIN
1A)

(Rattus
norvegicus) 		PF00804
(Syntaxin)
PF00835
(SNAP-25)
PF00957
(Synaptobrevin)
PF05739
(SNARE) 		4 GLY D 132
ASP D 147
ARG B 198
GLN A  36
 None
 1.34A 3qx3A-1sfcD:
undetectable		 3qx3A-1sfcD:
8.92
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.
1sgo PROTEIN C14ORF129

(Homo sapiens) 		PF05303
(DUF727) 		4 GLY A 137
ASP A 136
ARG A 135
GLN A 128
 None
 1.46A 3qx3A-1sgoA:
undetectable		 3qx3A-1sgoA:
9.87
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.
1t1u CHOLINE
O-ACETYLTRANSFERASE

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		4 GLY A 323
ASP A 325
ARG A 295
MET A 354
 None
 1.36A 3qx3A-1t1uA:
1.9		 3qx3A-1t1uA:
24.28
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.
1wk1 HYPOTHETICAL PROTEIN
YK1067A12

(Caenorhabditis
elegans) 		PF00059
(Lectin_C) 		4 GLY A  58
ASP A  70
ARG A  71
GLN A  66
 None
 1.46A 3qx3A-1wk1A:
undetectable		 3qx3A-1wk1A:
10.23
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.
1wn0 HISTIDINE-CONTAINING
PHOSPHOTRANSFER
PROTEIN

(Zea mays) 		PF01627
(Hpt) 		4 GLY A 112
ASP A 111
ARG A 110
GLN A 106
 None
 1.42A 3qx3A-1wn0A:
2.2		 3qx3A-1wn0A:
12.11
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.
1yvp 60-KDA SS-A/RO
RIBONUCLEOPROTEIN

(Xenopus laevis) 		PF05731
(TROVE) 		4 GLY A 525
ASP A 523
ARG A  34
GLN A  82
 None
 1.47A 3qx3A-1yvpA:
2.2		 3qx3A-1yvpA:
20.79
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.
2b61 HOMOSERINE
O-ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00561
(Abhydrolase_1) 		4 GLY A 354
ASP A 353
ARG A 352
GLN A 346
 None
 1.18A 3qx3A-2b61A:
1.6		 3qx3A-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
 0.96A 3qx3A-2c1cA:
3.0		 3qx3A-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.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		4 GLY A 372
ASP A 335
ARG A 430
GLN A 388
 None
 1.43A 3qx3A-2e3zA:
undetectable		 3qx3A-2e3zA:
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.
2ntj ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		4 GLY A  90
ASP A  89
ARG A   9
GLN A  32
 None
 1.32A 3qx3A-2ntjA:
1.9		 3qx3A-2ntjA:
16.35
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.
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
 1.39A 3qx3A-2nymC:
undetectable		 3qx3A-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
 1.35A 3qx3A-2p0rA:
undetectable		 3qx3A-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 3qx3A-2pffB:
0.3		 3qx3A-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.
2qty POLY(ADP-RIBOSE)
GLYCOHYDROLASE ARH3

(Mus musculus) 		PF03747
(ADP_ribosyl_GH) 		4 GLY A 143
ARG A 140
GLN A 155
MET A 203
 None
 1.13A 3qx3A-2qtyA:
undetectable		 3qx3A-2qtyA:
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		4 GLY A1000
ASP A1002
ARG A 997
GLN A2086
 None
 1.37A 3qx3A-2vz9A:
undetectable		 3qx3A-2vz9A:
14.41
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.
2xwx GLCNAC-BINDING
PROTEIN A

(Vibrio cholerae) 		PF03067
(LPMO_10) 		4 GLY A 400
ASP A 397
ARG A 398
GLN A 367
 None
 1.26A 3qx3A-2xwxA:
undetectable		 3qx3A-2xwxA:
19.57
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.
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
 1.23A 3qx3A-3bk5A:
undetectable		 3qx3A-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.
3cyj MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 229
ASP A 226
ARG A 227
GLN A 266
 None
 1.47A 3qx3A-3cyjA:
undetectable		 3qx3A-3cyjA:
18.36
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.
3d6s ALLERGEN DER F I

(Dermatophagoides
farinae) 		PF00112
(Peptidase_C1) 		4 GLY A 198
ASP A 199
ARG A 157
GLN A 161
 None
 1.36A 3qx3A-3d6sA:
undetectable		 3qx3A-3d6sA:
13.47
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.
3els PRE-MRNA LEAKAGE
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00498
(FHA) 		4 GLY A 183
ASP A 184
ARG A 181
MET A  65
 None
 1.02A 3qx3A-3elsA:
undetectable		 3qx3A-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
 1.37A 3qx3A-3eyaA:
undetectable		 3qx3A-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.
3flo DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT A
DNA POLYMERASE ALPHA
SUBUNIT B

(Saccharomyces
cerevisiae) 		PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N)
PF08996
(zf-DNA_Pol) 		4 GLY B1371
ASP B1370
ARG A 328
GLN B1359
 None
 1.05A 3qx3A-3floB:
undetectable		 3qx3A-3floB:
14.15
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 4 GLY L  98
ASP L 111
ARG L 113
MET L 276
 None
 1.28A 3qx3A-3g9kL:
undetectable		 3qx3A-3g9kL:
17.92
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.
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
 1.22A 3qx3A-3h2sA:
undetectable		 3qx3A-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
 1.03A 3qx3A-3hnpA:
undetectable		 3qx3A-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.
3hsi PHOSPHATIDYLSERINE
SYNTHASE

(Haemophilus
influenzae) 		PF13091
(PLDc_2) 		4 GLY A 153
ASP A 170
ARG A 171
GLN A  38
 None
 1.26A 3qx3A-3hsiA:
undetectable		 3qx3A-3hsiA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		4 GLY A 297
ASP A 298
ARG A 302
GLN A 276
 None
None
SO4  A 497 (-3.9A)
None
 1.19A 3qx3A-3iuuA:
undetectable		 3qx3A-3iuuA:
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.
3l82 F-BOX ONLY PROTEIN 4

(Homo sapiens) 		no annotation 4 GLY B 288
ASP B 287
ARG B 178
MET B 198
 None
 1.32A 3qx3A-3l82B:
undetectable		 3qx3A-3l82B:
14.76
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.
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
 1.21A 3qx3A-3lijA:
undetectable		 3qx3A-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
 1.40A 3qx3A-3malA:
undetectable		 3qx3A-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
 0.93A 3qx3A-3ml0A:
undetectable		 3qx3A-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
 1.44A 3qx3A-3npeA:
undetectable		 3qx3A-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
 1.26A 3qx3A-3or2A:
undetectable		 3qx3A-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
 1.11A 3qx3A-3pdkA:
undetectable		 3qx3A-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.
3qsq CAPSID POLYPROTEIN

(Mamastrovirus 1) 		PF12226
(Astro_capsid_p) 		4 GLY A 598
ASP A 597
ARG A 532
GLN A 523
 None
 1.27A 3qx3A-3qsqA:
undetectable		 3qx3A-3qsqA:
15.05
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.
3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycobacterium
avium) 		PF02668
(TauD) 		4 GLY A  25
ASP A  26
ARG A  22
GLN A  34
 None
 1.44A 3qx3A-3r1jA:
undetectable		 3qx3A-3r1jA:
16.58
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.
3t6w LACCASE

(Steccherinum
ochraceum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 286
ASP A 285
ARG A 283
GLN A 255
 None
 1.12A 3qx3A-3t6wA:
undetectable		 3qx3A-3t6wA:
18.53
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		4 GLY A 121
ASP A 113
GLN A 153
MET A 435
 None
 1.27A 3qx3A-3upyA:
undetectable		 3qx3A-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
 1.25A 3qx3A-3vvcA:
undetectable		 3qx3A-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.
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
 1.26A 3qx3A-4a3pA:
undetectable		 3qx3A-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
 1.45A 3qx3A-4dgqA:
undetectable		 3qx3A-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
 1.36A 3qx3A-4es9A:
undetectable		 3qx3A-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
 1.38A 3qx3A-4f9dA:
undetectable		 3qx3A-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.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 GLY A 327
ASP A 326
ARG A 323
GLN A 495
 None
 1.46A 3qx3A-4gaaA:
undetectable		 3qx3A-4gaaA:
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.
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
 1.35A 3qx3A-4gnrA:
undetectable		 3qx3A-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
 1.35A 3qx3A-4hwtA:
undetectable		 3qx3A-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.
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
 1.13A 3qx3A-4j2oA:
undetectable		 3qx3A-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.
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
 1.10A 3qx3A-4kv7A:
undetectable		 3qx3A-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.
4lim DNA PRIMASE SMALL
SUBUNIT

(Saccharomyces
cerevisiae) 		PF01896
(DNA_primase_S) 		4 GLY A 166
ASP A 113
ARG A 164
MET A  15
 None
 1.28A 3qx3A-4limA:
undetectable		 3qx3A-4limA:
19.53
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.
4n4p ACYLNEURAMINATE
LYASE

(Mycoplasma
synoviae) 		PF00701
(DHDPS) 		4 GLY A  28
ASP A 267
ARG A 262
GLN A  40
 None
 1.38A 3qx3A-4n4pA:
undetectable		 3qx3A-4n4pA:
19.66
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.
4qfu GLYCOSIDE HYDROLASE
FAMILY 5

(Bacteroides
vulgatus) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		4 GLY A 434
ASP A 433
ARG A 306
MET A 412
 None
 1.47A 3qx3A-4qfuA:
undetectable		 3qx3A-4qfuA:
20.17
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.
4rni MOTILITY REGULATOR

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		4 GLY A  30
ASP A  31
ARG A  34
MET A 245
 None
 1.43A 3qx3A-4rniA:
undetectable		 3qx3A-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.
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
 1.30A 3qx3A-4xcvA:
undetectable		 3qx3A-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
 1.47A 3qx3A-4z0hO:
undetectable		 3qx3A-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.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 GLY A 195
ASP A 154
ARG A 193
GLN A 358
 None
None
PO4  A 606 ( 2.5A)
None
 1.14A 3qx3A-4z2aA:
undetectable		 3qx3A-4z2aA:
19.73
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.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 GLY A 195
ASP A 154
ARG A 197
GLN A 358
 None
None
PO4  A 606 ( 2.9A)
None
 1.36A 3qx3A-4z2aA:
undetectable		 3qx3A-4z2aA:
19.73
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.
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 3qx3A-4zxiA:
undetectable		 3qx3A-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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 GLY A 223
ASP A 222
ARG A 276
GLN A  98
 None
 1.29A 3qx3A-5a8rA:
undetectable		 3qx3A-5a8rA:
21.81
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.
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
 1.18A 3qx3A-5eltB:
undetectable		 3qx3A-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.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		4 GLY A 379
ASP A 389
ARG A 415
GLN A 337
 None
None
L6I  A1615 (-4.0A)
None
 1.46A 3qx3A-5fnuA:
undetectable		 3qx3A-5fnuA:
16.05
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.
5fo3 CELL DIVISION
PROTEIN ZAPC

(Escherichia
coli) 		PF07126
(ZapC) 		4 GLY A 110
ASP A 111
GLN A 142
MET A 152
 None
 1.41A 3qx3A-5fo3A:
undetectable		 3qx3A-5fo3A:
12.81
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.
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
 1.29A 3qx3A-5ks8C:
undetectable		 3qx3A-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
 1.30A 3qx3A-5l8sA:
undetectable		 3qx3A-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
 1.21A 3qx3A-5mkgB:
undetectable		 3qx3A-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.
5msy GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		4 GLY A 433
ASP A 432
ARG A 308
MET A 411
 None
 1.50A 3qx3A-5msyA:
undetectable		 3qx3A-5msyA:
19.95
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.
5nge UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		no annotation 4 GLY A 326
ASP A 346
GLN A 297
MET A 407
 None
None
8WK  A 601 (-3.2A)
8WK  A 601 (-3.9A)
 1.41A 3qx3A-5ngeA:
undetectable		 3qx3A-5ngeA:
17.95
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.
5nnn CTATC

(Chaetomium
thermophilum) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 GLY A2108
ASP A2109
GLN A2084
MET A2237
 None
 1.33A 3qx3A-5nnnA:
undetectable		 3qx3A-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.
5udh E3 UBIQUITIN-PROTEIN
LIGASE ARIH1

(Homo sapiens) 		PF01485
(IBR) 		4 GLY A 355
ASP A 354
ARG A 511
GLN A 440
 None
 1.35A 3qx3A-5udhA:
undetectable		 3qx3A-5udhA:
18.90
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.
5usw DIHYDROPTEROATE
SYNTHASE

(Aliivibrio
fischeri) 		PF00809
(Pterin_bind) 		4 GLY A  32
ARG A  77
GLN A  43
MET A  47
 None
 1.32A 3qx3A-5uswA:
undetectable		 3qx3A-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.
5vj1 MDCA
MDCC

(Pseudomonas
aeruginosa;
Pseudomonas
protegens) 		PF06857
(ACP)
PF16957
(Mal_decarbox_Al) 		4 GLY C  79
ASP C  77
ARG C  54
MET A 240
 None
 1.44A 3qx3A-5vj1C:
undetectable		 3qx3A-5vj1C:
8.34
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.
5vtm TYPE II SECRETION
SYSTEM PROTEIN K

(Pseudomonas
aeruginosa) 		no annotation 4 GLY X 275
ASP X  78
ARG X 277
GLN X 280
 None
CA  X 401 (-3.3A)
None
None
 1.49A 3qx3A-5vtmX:
undetectable		 3qx3A-5vtmX:
8.76
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.
5wa3 PYRIDINE SYNTHASE
TBTD

(Thermobispora
bispora) 		no annotation 4 GLY A 202
ASP A 201
ARG A 199
GLN A 331
 None
 1.32A 3qx3A-5wa3A:
undetectable		 3qx3A-5wa3A:
8.50
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.
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)
 1.47A 3qx3A-5wfiA:
undetectable		 3qx3A-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
 1.03A 3qx3A-5wmmA:
undetectable		 3qx3A-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.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 4 GLY A 280
ASP A 278
ARG A 364
GLN A 349
 SAM  A 701 (-3.7A)
SAM  A 701 ( 4.6A)
None
None
 1.36A 3qx3A-6b3bA:
undetectable		 3qx3A-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.
6bdt CALPAIN-3

(Homo sapiens) 		no annotation 4 GLY A 395
ASP A 394
ARG A 355
MET A 228
 None
CA  A 502 (-3.3A)
None
None
 1.34A 3qx3A-6bdtA:
undetectable		 3qx3A-6bdtA:
6.94
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.
6cn7 AEROBACTIN SYNTHASE
IUCC

(Klebsiella
pneumoniae) 		no annotation 4 GLY A 383
ASP A 387
ARG A 388
GLN A 399
 None
None
MES  A 600 (-4.7A)
None
 1.47A 3qx3A-6cn7A:
undetectable		 3qx3A-6cn7A:
7.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 4 GLY A 501
ASP A 425
ARG A 499
GLN A 247
 None
 1.29A 3qx3A-6eoqA:
undetectable		 3qx3A-6eoqA:
8.23
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.
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)
 1.09A 3qx3A-6fmqA:
undetectable		 3qx3A-6fmqA:
undetectable