SIMILAR PATTERNS OF AMINO ACIDS FOR 2QEO_A_LNRA200_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.
1ddh MHC CLASS I H-2DD
HEAVY CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 GLU A  63
ARG A  66
ILE A  52
VAL A  34
GLU A  24
 None
 1.48A 2qeoA-1ddhA:
0.0		 2qeoA-1ddhA:
19.71
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.
1j1u TYROSYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00579
(tRNA-synt_1b) 		5 TYR A 161
ILE A  63
VAL A 103
PHE A 108
ASP A 111
 None
 1.49A 2qeoA-1j1uA:
0.0		 2qeoA-1j1uA:
20.59
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.
1l0w ASPARTYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 GLU A 124
ARG A 127
GLU A 544
MET A 140
ASP A 134
 None
 1.09A 2qeoA-1l0wA:
undetectable		 2qeoA-1l0wA:
14.31
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.
1nrj SIGNAL RECOGNITION
PARTICLE RECEPTOR
ALPHA SUBUNIT
HOMOLOG

(Saccharomyces
cerevisiae) 		PF09201
(SRX) 		5 TYR A  18
VAL A 109
TYR A  16
PHE A 155
MET A   1
 None
 1.47A 2qeoA-1nrjA:
undetectable		 2qeoA-1nrjA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1or7 RNA POLYMERASE
SIGMA-E FACTOR
SIGMA-E FACTOR
NEGATIVE REGULATORY
PROTEIN

(Escherichia
coli) 		PF03872
(RseA_N)
PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2) 		5 ARG C  40
TYR A  29
TYR A  75
ASP A   7
GLU A   3
 None
 1.28A 2qeoA-1or7C:
undetectable		 2qeoA-1or7C:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ILE A 261
VAL A 282
TYR A 266
PHE A 278
GLU A 279
 None
 1.48A 2qeoA-1tmoA:
0.0		 2qeoA-1tmoA:
10.22
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.
1vl2 ARGININOSUCCINATE
SYNTHASE

(Thermotoga
maritima) 		PF00764
(Arginosuc_synth) 		5 GLU A 281
ARG A 263
HIS A 188
VAL A 204
GLU A 202
 None
 1.45A 2qeoA-1vl2A:
undetectable		 2qeoA-1vl2A:
17.30
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.
1vrm HYPOTHETICAL PROTEIN
TM1553

(Thermotoga
maritima) 		PF02424
(ApbE) 		5 ARG A  81
VAL A  94
PHE A  86
GLU A 111
ASP A  78
 None
None
None
None
MPD  A   1 ( 4.9A)
 1.44A 2qeoA-1vrmA:
undetectable		 2qeoA-1vrmA:
17.65
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.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 GLU A  54
ARG A 439
TYR A  51
VAL A  62
GLU A 408
 None
 1.44A 2qeoA-1wdtA:
0.0		 2qeoA-1wdtA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 GLU A 807
TYR A 343
ILE A 139
VAL A 143
TYR A  96
 None
GAL  A9011 (-4.2A)
None
None
GAL  A9011 (-4.7A)
 1.42A 2qeoA-1xc6A:
undetectable		 2qeoA-1xc6A:
8.43
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.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 ARG A  69
ILE A  22
VAL A  50
PHE A  84
ASP A  85
 None
 1.26A 2qeoA-1xrcA:
0.0		 2qeoA-1xrcA:
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.
1z54 PROBABLE
THIOESTERASE

(Thermus
thermophilus) 		PF03061
(4HBT) 		5 GLU A  71
TYR A  25
ILE A   7
VAL A  73
TYR A  28
 None
 1.37A 2qeoA-1z54A:
undetectable		 2qeoA-1z54A:
25.93
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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 GLU A 316
ARG A 246
TYR A 229
VAL A 318
PHE A 208
 None
 1.15A 2qeoA-2ajrA:
undetectable		 2qeoA-2ajrA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 ARG A  63
ILE A  95
ASP A 111
GLU A  90
ASP A  50
 None
 1.25A 2qeoA-2c7bA:
undetectable		 2qeoA-2c7bA:
18.27
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Methanothermobacter
thermautotrophicus) 		PF00710
(Asparaginase)
PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		5 ARG A 208
ILE A 106
TYR A 108
GLU C 423
ASP C  84
 None
 1.28A 2qeoA-2d6fA:
undetectable		 2qeoA-2d6fA:
15.49
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.
2i99 MU-CRYSTALLIN
HOMOLOG

(Homo sapiens) 		PF02423
(OCD_Mu_crystall) 		5 ARG A 119
HIS A 151
VAL A 226
MET A  62
ASP A 299
 NDP  A 502 (-3.6A)
None
NDP  A 502 (-3.9A)
None
None
 0.87A 2qeoA-2i99A:
undetectable		 2qeoA-2i99A:
18.15
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.
2kxp F-ACTIN-CAPPING
PROTEIN SUBUNIT
ALPHA-1
F-ACTIN-CAPPING
PROTEIN SUBUNIT BETA
ISOFORMS 1 AND 2

(Gallus gallus) 		PF01115
(F_actin_cap_B)
PF01267
(F-actin_cap_A) 		5 GLU B 521
ARG A 259
HIS B 452
ILE B 432
VAL B 517
 None
 1.42A 2qeoA-2kxpB:
undetectable		 2qeoA-2kxpB:
22.10
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.
2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 ARG A  84
ILE A  37
VAL A  65
PHE A  99
ASP A 100
 None
 1.20A 2qeoA-2obvA:
undetectable		 2qeoA-2obvA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ph7 UNCHARACTERIZED
PROTEIN AF_2093

(Archaeoglobus
fulgidus) 		no annotation 5 ARG A  25
TYR A 128
ILE A   5
VAL A  51
GLU A  49
 None
 1.14A 2qeoA-2ph7A:
undetectable		 2qeoA-2ph7A:
21.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pql D7R4 PROTEIN

(Anopheles
gambiae) 		PF01395
(PBP_GOBP) 		12 GLU A   7
ARG A  22
TYR A  24
HIS A  35
ILE A  36
VAL A  39
TYR A  94
PHE A 110
ASP A 111
GLU A 114
MET A 135
ASP A 139
 TSS  A 145 ( 4.9A)
TSS  A 145 (-3.5A)
TSS  A 145 (-3.4A)
TSS  A 145 (-4.3A)
None
TSS  A 145 ( 4.6A)
None
TSS  A 145 (-4.4A)
TSS  A 145 (-3.5A)
TSS  A 145 (-3.6A)
TSS  A 145 (-3.5A)
TSS  A 145 ( 4.7A)
 0.36A 2qeoA-2pqlA:
29.0		 2qeoA-2pqlA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ux8 GLUCOSE-1-PHOSPHATE
URIDYLYLTRANSFERASE

(Sphingomonas
elodea) 		PF00483
(NTP_transferase) 		5 GLU A 161
ARG A 253
ILE A 158
TYR A 208
ASP A 255
 None
G1P  A1290 ( 4.4A)
None
None
G1P  A1290 ( 4.7A)
 1.40A 2qeoA-2ux8A:
undetectable		 2qeoA-2ux8A:
19.93
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.
2x49 INVASION PROTEIN
INVA

(Salmonella
enterica) 		PF00771
(FHIPEP) 		5 GLU A 568
ARG A 651
ILE A 570
VAL A 567
GLU A 539
 None
 1.40A 2qeoA-2x49A:
undetectable		 2qeoA-2x49A:
20.55
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.
2xeh NI3C MUT6

(synthetic
construct) 		PF12796
(Ank_2) 		5 GLU A  57
ARG A  56
HIS A  59
ILE A  62
ASP A  44
 None
SO4  A1172 ( 2.8A)
None
None
None
 1.14A 2qeoA-2xehA:
undetectable		 2qeoA-2xehA:
23.81
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.
2yew E2 ENVELOPE
GLYCOPROTEIN

(Barmah Forest
virus) 		PF00943
(Alpha_E2_glycop) 		5 GLU C 162
ARG C 161
ILE C 253
TYR C   8
PHE C  99
 None
 1.09A 2qeoA-2yewC:
undetectable		 2qeoA-2yewC:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cqh L-RIBULOSE-5-PHOSPHA
TE 3-EPIMERASE ULAE

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		5 GLU A  12
ARG A  46
ILE A  10
GLU A 255
ASP A  41
 None
 1.49A 2qeoA-3cqhA:
undetectable		 2qeoA-3cqhA:
21.60
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.
3dzc UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Vibrio cholerae) 		PF02350
(Epimerase_2) 		5 ARG A 216
TYR A 244
VAL A 256
MET A 308
ASP A 290
 None
 1.45A 2qeoA-3dzcA:
undetectable		 2qeoA-3dzcA:
15.29
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.
3dzt D7 PROTEIN

(Aedes aegypti) 		PF01395
(PBP_GOBP) 		6 GLU A 158
TYR A 178
HIS A 189
VAL A 193
TYR A 248
ASP A 265
 TRS  A 306 ( 4.7A)
TRS  A 306 (-3.8A)
GOL  A 307 (-4.0A)
None
GOL  A 307 (-4.3A)
TRS  A 306 (-3.6A)
 0.61A 2qeoA-3dztA:
14.9		 2qeoA-3dztA:
18.75
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.
3dzt D7 PROTEIN

(Aedes aegypti) 		PF01395
(PBP_GOBP) 		6 TYR A 178
HIS A 189
VAL A 193
TYR A 248
PHE A 264
ASP A 265
 TRS  A 306 (-3.8A)
GOL  A 307 (-4.0A)
None
GOL  A 307 (-4.3A)
GOL  A 307 (-4.6A)
TRS  A 306 (-3.6A)
 0.75A 2qeoA-3dztA:
14.9		 2qeoA-3dztA:
18.75
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.
3eoq PUTATIVE ZINC
PROTEASE

(Thermus
thermophilus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ARG A 352
TYR A 366
HIS A 355
VAL A 372
GLU A 370
 None
 1.42A 2qeoA-3eoqA:
undetectable		 2qeoA-3eoqA:
16.54
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.
3get HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00155
(Aminotran_1_2) 		5 TYR A 289
HIS A 296
ILE A 298
TYR A 310
PHE A 355
 None
 1.08A 2qeoA-3getA:
undetectable		 2qeoA-3getA:
17.31
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.
3jtj 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Yersinia pestis) 		PF02348
(CTP_transf_3) 		5 GLU A 210
TYR A 187
ILE A 221
VAL A 214
PHE A 191
 IMD  A 301 ( 4.4A)
IMD  A 301 (-4.8A)
None
None
None
 1.38A 2qeoA-3jtjA:
undetectable		 2qeoA-3jtjA:
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		5 TYR A 218
HIS A 491
ILE A 487
VAL A 483
MET A 295
 ME8  A 801 (-4.7A)
ME8  A 801 (-4.6A)
ME8  A 801 (-4.0A)
None
None
 1.00A 2qeoA-3kflA:
undetectable		 2qeoA-3kflA:
13.72
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.
3nhi D7 PROTEIN

(Anopheles
stephensi) 		PF01395
(PBP_GOBP) 		5 TYR A 179
ILE A 191
TYR A 243
ASP A 260
GLU A 263
 SO4  A 299 (-4.9A)
None
None
None
None
 0.65A 2qeoA-3nhiA:
12.0		 2qeoA-3nhiA:
16.56
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.
3nhi D7 PROTEIN

(Anopheles
stephensi) 		PF01395
(PBP_GOBP) 		5 TYR A 179
ILE A 191
TYR A 243
PHE A 259
ASP A 260
 SO4  A 299 (-4.9A)
None
None
None
None
 0.82A 2qeoA-3nhiA:
12.0		 2qeoA-3nhiA:
16.56
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.
3o13 SUPERANTIGEN-LIKE
PROTEIN

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		5 GLU A 103
TYR A  47
VAL A 101
PHE A 166
ASP A 165
 None
 1.46A 2qeoA-3o13A:
undetectable		 2qeoA-3o13A:
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 GLU A 809
TYR A 342
ILE A 139
VAL A 143
TYR A  96
 GAL  A1024 ( 4.8A)
GAL  A1024 (-4.4A)
None
None
GAL  A1024 (-4.6A)
 1.40A 2qeoA-3ogrA:
undetectable		 2qeoA-3ogrA:
9.17
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.
3p24 BFT-3

(Bacteroides
fragilis) 		PF13583
(Reprolysin_4)
PF16376
(fragilysinNterm) 		5 GLU A  88
ILE A  83
VAL A  90
PHE A 109
MET A 131
 None
 1.36A 2qeoA-3p24A:
undetectable		 2qeoA-3p24A:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rap PROTEIN (G PROTEIN
RAP2A)

(Homo sapiens) 		PF00071
(Ras) 		5 GLU R 159
ARG R 162
ILE R  79
GLU R 155
ASP R  47
 None
 1.17A 2qeoA-3rapR:
undetectable		 2qeoA-3rapR:
23.37
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.
3rh2 HYPOTHETICAL
TETR-LIKE
TRANSCRIPTIONAL
REGULATOR

(Shewanella
amazonensis) 		PF00440
(TetR_N)
PF13972
(TetR) 		5 GLU A  47
ARG A 105
PHE A  94
GLU A  20
ASP A 101
 None
 1.39A 2qeoA-3rh2A:
undetectable		 2qeoA-3rh2A:
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.
3tr4 INORGANIC
PYROPHOSPHATASE

(Coxiella
burnetii) 		PF00719
(Pyrophosphatase) 		5 GLU A  30
ILE A  20
TYR A  50
ASP A  96
ASP A  64
 None
None
None
None
MN  A 176 (-3.2A)
 1.48A 2qeoA-3tr4A:
undetectable		 2qeoA-3tr4A:
22.51
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.
3zbm COPPER-CONTAINING
NITRITE REDUCTASE

(Ralstonia
pickettii) 		PF07732
(Cu-oxidase_3)
PF13442
(Cytochrome_CBB3) 		5 GLU A  54
TYR A 180
ILE A  52
VAL A  56
ASP A 326
 None
 1.46A 2qeoA-3zbmA:
undetectable		 2qeoA-3zbmA:
15.53
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.
4efh ACTIN-1

(Acanthamoeba
castellanii) 		PF00022
(Actin) 		5 GLU A 207
ILE A  34
TYR A  69
ASP A 187
MET A 190
 None
 1.37A 2qeoA-4efhA:
undetectable		 2qeoA-4efhA:
17.38
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.
4exb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF00248
(Aldo_ket_red) 		5 GLU A 130
ARG A 128
ILE A  65
GLU A  87
ASP A 127
 None
 1.21A 2qeoA-4exbA:
undetectable		 2qeoA-4exbA:
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.
4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN

(Hahella
chejuensis) 		PF02011
(Glyco_hydro_48) 		5 GLU A 582
ARG A 584
ILE A 532
GLU A  72
ASP A 586
 None
GOL  A 804 ( 4.8A)
None
CBI  A 802 ( 3.3A)
GOL  A 804 (-3.5A)
 1.38A 2qeoA-4fusA:
undetectable		 2qeoA-4fusA:
11.16
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLU A 159
ILE A 512
TYR A 511
ASP A 280
MET A 245
 None
None
BGC  A 943 (-3.8A)
BGC  A 942 (-2.9A)
BGC  A 942 (-4.0A)
 1.34A 2qeoA-4iigA:
undetectable		 2qeoA-4iigA:
9.65
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 GLU A 804
TYR A 342
ILE A 139
VAL A 143
TYR A  96
 CD  A1108 (-2.3A)
GAL  A1130 (-4.2A)
None
None
GAL  A1130 (-4.7A)
 1.43A 2qeoA-4iugA:
undetectable		 2qeoA-4iugA:
8.72
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.
4nes UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Methanocaldococcus
jannaschii) 		PF02350
(Epimerase_2) 		5 GLU A 293
ARG A 311
ILE A  14
ASP A  95
GLU A 117
 None
None
UDP  A 401 (-3.8A)
UD1  A 400 ( 4.8A)
None
 1.29A 2qeoA-4nesA:
undetectable		 2qeoA-4nesA:
17.41
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E

(Vibrio cholerae) 		PF02508
(Rnf-Nqr)
PF03116
(NQR2_RnfD_RnfE)
PF05896
(NQRA)
PF11973
(NQRA_SLBB) 		5 GLU B 402
TYR E 166
HIS B 398
VAL E  35
ASP A 401
 RBF  E 201 (-4.8A)
None
RBF  E 201 ( 4.9A)
None
None
 1.48A 2qeoA-4p6vB:
undetectable		 2qeoA-4p6vB:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rco PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		5 GLU A 187
TYR A 127
VAL A 185
PHE A 247
ASP A 246
 None
 1.42A 2qeoA-4rcoA:
undetectable		 2qeoA-4rcoA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgt PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		5 GLU A 106
TYR A  47
VAL A 104
PHE A 166
ASP A 165
 None
 1.44A 2qeoA-4rgtA:
undetectable		 2qeoA-4rgtA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 GLU A 413
ARG A 438
ILE A 446
VAL A 417
ASP A 275
 None
 1.39A 2qeoA-4u3wA:
undetectable		 2qeoA-4u3wA:
13.27
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.
4v3d ENDOTHELIAL PROTEIN
C RECEPTOR
HB3VAR03 CIDRA
DOMAIN

(Homo sapiens;
Plasmodium
falciparum) 		PF03011
(PFEMP)
PF16497
(MHC_I_3) 		5 ILE A 696
VAL A 579
PHE A 575
ASP A 572
ASP B  45
 None
 1.25A 2qeoA-4v3dA:
undetectable		 2qeoA-4v3dA:
20.78
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.
4v3d ENDOTHELIAL PROTEIN
C RECEPTOR
HB3VAR03 CIDRA
DOMAIN

(Homo sapiens;
Plasmodium
falciparum) 		PF03011
(PFEMP)
PF16497
(MHC_I_3) 		5 TYR A 643
VAL A 579
PHE A 575
ASP A 572
ASP B  45
 None
 1.40A 2qeoA-4v3dA:
undetectable		 2qeoA-4v3dA:
20.78
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		5 ARG A1069
ILE A1143
PHE A1106
GLU A1105
ASP A1073
 None
 1.41A 2qeoA-4xqkA:
undetectable		 2qeoA-4xqkA:
6.95
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.
4ywo MERCURIC REDUCTASE

(Metallosphaera
sedula) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ARG A 438
HIS A 414
ILE A 417
VAL A 413
GLU A 355
 None
 1.21A 2qeoA-4ywoA:
undetectable		 2qeoA-4ywoA:
15.00
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.
4zdm GLUTAMATE RECEPTOR
KAINATE-LIKE PROTEIN

(Pleurobrachia
bachei) 		PF10613
(Lig_chan-Glu_bd) 		5 ARG A 147
ILE A  91
VAL A  93
GLU A  17
ASP A 190
 GLY  A 301 (-3.2A)
None
None
GLY  A 301 ( 4.6A)
None
 1.36A 2qeoA-4zdmA:
undetectable		 2qeoA-4zdmA:
21.65
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.
5a2g CARBOXYLIC ESTER
HYDROLASE

(Hungatella
hathewayi) 		PF00135
(COesterase) 		5 ARG A 380
ILE A 224
VAL A 317
GLU A 475
ASP A 491
 None
 1.24A 2qeoA-5a2gA:
undetectable		 2qeoA-5a2gA:
14.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b3g PROTEIN SHORT-ROOT

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		5 ILE B 261
VAL B 291
PHE B 340
ASP B 341
GLU B 344
 None
 1.41A 2qeoA-5b3gB:
undetectable		 2qeoA-5b3gB:
13.93
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.
5cl2 SPORULATION-CONTROL
PROTEIN SPO0M

(Bacillus
subtilis) 		PF07070
(Spo0M) 		5 GLU A 174
ARG A 210
VAL A 172
PHE A 165
MET A 222
 None
 1.49A 2qeoA-5cl2A:
undetectable		 2qeoA-5cl2A:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d3i STAPHYLOCOCCAL
SUPERANTIGEN-LIKE
PROTEIN 3

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		5 GLU B 205
TYR B 145
VAL B 203
PHE B 265
ASP B 264
 None
 1.43A 2qeoA-5d3iB:
undetectable		 2qeoA-5d3iB:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 5 ARG C  71
ILE C  24
VAL C  52
PHE C  86
ASP C  87
 None
 1.11A 2qeoA-5h9uC:
undetectable		 2qeoA-5h9uC:
16.06
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.
5i4d SUPERANTIGEN-LIKE
PROTEIN

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		5 GLU A 235
TYR A 175
VAL A 233
PHE A 295
ASP A 294
 None
 1.47A 2qeoA-5i4dA:
undetectable		 2qeoA-5i4dA:
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.
5i6g ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 GLU A2054
ARG A2166
ILE A2150
GLU A2204
ASP A2226
 None
 1.06A 2qeoA-5i6gA:
undetectable		 2qeoA-5i6gA:
8.94
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 GLU A2054
ARG A2166
ILE A2150
GLU A2204
ASP A2226
 None
 1.01A 2qeoA-5i6hA:
undetectable		 2qeoA-5i6hA:
6.91
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.
5i6i ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 GLU A2054
ARG A2166
ILE A2150
GLU A2204
ASP A2226
 None
 1.09A 2qeoA-5i6iA:
undetectable		 2qeoA-5i6iA:
5.13
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 GLU A 590
ARG A 587
HIS A 596
VAL A 414
GLU A 432
 None
 1.13A 2qeoA-5ijlA:
undetectable		 2qeoA-5ijlA:
9.17
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.
5jip CORTICAL-LYTIC
ENZYME

(Clostridium
perfringens) 		PF01183
(Glyco_hydro_25) 		5 TYR A 158
ILE A 131
VAL A 114
PHE A 154
ASP A 119
 None
 1.35A 2qeoA-5jipA:
undetectable		 2qeoA-5jipA:
19.03
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.
5vbu CYTOCHROME P450
21-HYDROXYLASE

(Homo sapiens) 		PF00067
(p450) 		5 ILE A 237
VAL A 238
TYR A 191
PHE A 178
ASP A 256
 None
 1.43A 2qeoA-5vbuA:
undetectable		 2qeoA-5vbuA:
17.04
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.
5vyo THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Burkholderia
pseudomallei) 		no annotation 5 GLU A  37
ARG A  68
TYR A  41
PHE A 101
GLU A  50
 None
 1.31A 2qeoA-5vyoA:
undetectable		 2qeoA-5vyoA:
19.72