SIMILAR PATTERNS OF AMINO ACIDS FOR 5JGL_A_SAMA301_0

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.
1g38 MODIFICATION
METHYLASE TAQI

(Thermus
aquaticus) 		PF07669
(Eco57I)
PF12950
(TaqI_C) 		5 THR A 413
LEU A 358
LEU A 375
PHE A 411
GLY A 410
 None
 1.34A 5jglA-1g38A:
13.1		 5jglA-1g38A:
20.41
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.
1nff PUTATIVE
OXIDOREDUCTASE
RV2002

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 SER A 134
ALA A 130
ALA A  75
PHE A  79
GLY A  81
 None
 1.45A 5jglA-1nffA:
7.1		 5jglA-1nffA:
23.90
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.
1nio B-LUFFIN

(Luffa
aegyptiaca) 		PF00161
(RIP) 		5 ALA A 118
ALA A 147
PHE A 151
GLY A 149
PRO A 126
 None
 1.38A 5jglA-1nioA:
undetectable		 5jglA-1nioA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qnt METHYLATED-DNA--PROT
EIN-CYSTEINE
METHYLTRANSFERASE

(Homo sapiens) 		PF01035
(DNA_binding_1)
PF02870
(Methyltransf_1N) 		5 ALA A  68
LEU A  66
LEU A 142
ALA A  75
PRO A  82
 None
 0.98A 5jglA-1qntA:
undetectable		 5jglA-1qntA:
22.37
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 ALA A  62
LEU A 124
ALA A  45
GLY A  11
SER A 144
 None
 1.41A 5jglA-1rk2A:
3.0		 5jglA-1rk2A:
23.58
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.
1sjr POLYPYRIMIDINE
TRACT-BINDING
PROTEIN 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 ALA A 100
LEU A 104
ALA A  92
GLY A  71
SER A  68
 None
 1.43A 5jglA-1sjrA:
undetectable		 5jglA-1sjrA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sqh HYPOTHETICAL PROTEIN
CG14615-PA

(Drosophila
melanogaster) 		PF08445
(FR47) 		5 ALA A 270
LEU A 268
LEU A  37
PHE A 153
GLY A 154
 None
 1.13A 5jglA-1sqhA:
3.3		 5jglA-1sqhA:
19.94
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.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		5 ALA A 252
ALA A  42
LEU A  46
ALA A 282
GLY A 278
 None
 1.49A 5jglA-1v19A:
4.6		 5jglA-1v19A:
21.73
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.
1vc4 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00218
(IGPS) 		5 ALA A 173
LEU A 171
ALA A 175
LEU A 178
ALA A 145
 None
 0.85A 5jglA-1vc4A:
undetectable		 5jglA-1vc4A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a7y HYPOTHETICAL PROTEIN
RV2302/MT2359

(Mycobacterium
tuberculosis) 		PF08940
(DUF1918) 		5 ALA A  72
ALA A  23
LEU A   9
GLY A  76
PRO A  52
 None
 1.17A 5jglA-2a7yA:
undetectable		 5jglA-2a7yA:
16.14
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.
2azq CATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 ALA A  74
LEU A  72
LEU A 208
PHE A  82
GLY A  78
 None
 1.35A 5jglA-2azqA:
undetectable		 5jglA-2azqA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2boa CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 LEU A1308
ALA A1266
PHE A1192
GLY A1191
PRO A1060
 None
 1.27A 5jglA-2boaA:
undetectable		 5jglA-2boaA:
22.75
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.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		5 THR A 444
ALA A 205
ALA A 223
LEU A 269
GLY A 202
 None
 1.35A 5jglA-2hg4A:
undetectable		 5jglA-2hg4A:
17.25
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.
2opj O-SUCCINYLBENZOATE-C
OA SYNTHASE

(Thermobifida
fusca) 		PF13378
(MR_MLE_C) 		5 THR A  14
ALA A  84
ALA A 116
ALA A  78
GLY A  80
 None
 1.24A 5jglA-2opjA:
undetectable		 5jglA-2opjA:
20.60
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.
2p6p GLYCOSYL TRANSFERASE

(Streptomyces
fradiae) 		PF06722
(DUF1205) 		5 ALA A 120
SER A  95
MET A  99
PHE A   5
GLY A 113
 None
 1.12A 5jglA-2p6pA:
5.2		 5jglA-2p6pA:
22.13
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.
2pcu CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14) 		5 LEU A 308
ALA A 266
PHE A 192
GLY A 191
PRO A  60
 None
 1.40A 5jglA-2pcuA:
undetectable		 5jglA-2pcuA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pd3 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Helicobacter
pylori) 		PF13561
(adh_short_C2) 		5 THR A 193
LEU A 126
ALA A  15
GLY A  13
SER A  91
 NAD  A1780 (-3.2A)
None
NAD  A1780 (-3.4A)
NAD  A1780 (-3.7A)
NAD  A1780 ( 3.7A)
 1.21A 5jglA-2pd3A:
6.8		 5jglA-2pd3A:
23.77
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.
2qnu UNCHARACTERIZED
PROTEIN PA0076

(Pseudomonas
aeruginosa) 		PF09867
(DUF2094) 		5 ALA A  99
LEU A  95
ALA A 170
GLY A 103
PRO A 142
 None
 1.29A 5jglA-2qnuA:
undetectable		 5jglA-2qnuA:
23.10
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.
2r9z GLUTATHIONE AMIDE
REDUCTASE

(Marichromatium
gracile) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A  24
LEU A   7
ALA A  20
LEU A  32
GLY A 106
 None
 1.49A 5jglA-2r9zA:
2.4		 5jglA-2r9zA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xts SULFITE
DEHYDROGENASE

(Paracoccus
pantotrophus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 LEU A 380
ALA A 330
GLY A 328
SER A 327
PRO A 311
 None
None
None
GOL  A1433 ( 4.3A)
None
 1.31A 5jglA-2xtsA:
undetectable		 5jglA-2xtsA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 THR A 435
ALA A 245
ALA A 258
LEU A 267
GLY A 289
 None
 1.49A 5jglA-3azqA:
undetectable		 5jglA-3azqA:
17.68
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.
3boh CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 LEU A  14
ALA A 189
PHE A 193
GLY A 191
SER A  10
 None
 1.20A 5jglA-3bohA:
undetectable		 5jglA-3bohA:
23.73
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.
3byq UNCHARACTERIZED
PROTEIN DUF1185

(Bordetella
bronchiseptica) 		PF06684
(AA_synth) 		5 ALA A 104
LEU A 109
ALA A  64
LEU A  67
GLY A 101
 None
 1.11A 5jglA-3byqA:
undetectable		 5jglA-3byqA:
22.03
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.
3cp2 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 THR A  32
LEU A  66
LEU A 410
ALA A  22
GLY A 388
 None
 1.42A 5jglA-3cp2A:
3.9		 5jglA-3cp2A:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dmy PROTEIN FDRA

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 ALA A 312
LEU A 315
ALA A 223
GLY A 197
PRO A 281
 None
 1.25A 5jglA-3dmyA:
3.3		 5jglA-3dmyA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eb2 PUTATIVE
DIHYDRODIPICOLINATE
SYNTHETASE

(Rhodopseudomonas
palustris) 		PF00701
(DHDPS) 		5 ALA A 252
LEU A 259
PHE A  51
GLY A  49
SER A  14
 None
 1.24A 5jglA-3eb2A:
undetectable		 5jglA-3eb2A:
22.75
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.
3eoo METHYLISOCITRATE
LYASE

(Burkholderia
pseudomallei) 		PF13714
(PEP_mutase) 		5 ALA A  15
ALA A 113
PHE A 155
GLY A  10
SER A   8
 None
 1.42A 5jglA-3eooA:
undetectable		 5jglA-3eooA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 THR A 827
ALA A   7
LEU A 238
LEU A 100
GLY A  93
 None
 1.09A 5jglA-3hhdA:
undetectable		 5jglA-3hhdA:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iv7 ALCOHOL
DEHYDROGENASE IV

(Corynebacterium
glutamicum) 		PF00465
(Fe-ADH) 		5 ALA A 225
SER A 124
ALA A 221
GLY A 170
SER A 169
 None
 1.48A 5jglA-3iv7A:
undetectable		 5jglA-3iv7A:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ixl ARYLMALONATE
DECARBOXYLASE

(Bordetella
bronchiseptica) 		no annotation 5 ALA A 219
LEU A 222
ALA A  35
GLY A  10
PRO A 100
 None
 1.14A 5jglA-3ixlA:
2.3		 5jglA-3ixlA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ooq AMIDOHYDROLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 THR A 235
LEU A 281
ALA A 227
PHE A 154
GLY A 155
 None
 1.21A 5jglA-3ooqA:
undetectable		 5jglA-3ooqA:
21.84
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.
3q8n 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		5 THR A 339
LEU A  12
ALA A  53
LEU A  58
GLY A  79
 None
 1.39A 5jglA-3q8nA:
undetectable		 5jglA-3q8nA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3scy HYPOTHETICAL
BACTERIAL
6-PHOSPHOGLUCONOLACT
ONASE

(Bacteroides
fragilis) 		PF10282
(Lactonase) 		5 THR A 273
ALA A 281
LEU A 302
ALA A 275
GLY A 256
 None
 1.22A 5jglA-3scyA:
undetectable		 5jglA-3scyA:
23.80
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.
3urz UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF13174
(TPR_6) 		5 ALA A 211
LEU A 215
PHE A 146
GLY A 148
SER A 198
 None
 1.49A 5jglA-3urzA:
undetectable		 5jglA-3urzA:
23.76
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.
3vvj OVALBUMIN

(Dromaius
novaehollandiae) 		PF00079
(Serpin) 		5 LEU A  39
SER A  40
LEU A 294
ALA A 178
SER A  31
 None
 0.90A 5jglA-3vvjA:
undetectable		 5jglA-3vvjA:
21.08
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.
3zpx LIPASE

(Ustilago maydis) 		PF03583
(LIP) 		5 ALA A 234
ALA A 286
LEU A 289
PHE A 230
GLY A 232
 None
 1.34A 5jglA-3zpxA:
undetectable		 5jglA-3zpxA:
22.78
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.
4a14 KINESIN-LIKE PROTEIN
KIF7

(Homo sapiens) 		PF00225
(Kinesin) 		5 ALA A 321
LEU A 337
ALA A  89
GLY A  91
SER A 253
 None
 1.42A 5jglA-4a14A:
undetectable		 5jglA-4a14A:
21.41
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.
4bjp PENICILLIN BINDING
PROTEIN
TRANSPEPTIDASE
DOMAIN PROTEIN

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LEU A 428
ALA A 544
GLY A 496
SER A 307
PRO A 305
 None
None
GOL  A 630 (-3.5A)
GOL  A 630 (-2.9A)
None
 1.34A 5jglA-4bjpA:
undetectable		 5jglA-4bjpA:
20.12
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.
4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		5 ALA A 385
ALA A 387
ALA A 175
GLY A 382
PRO A 390
 ALA  A 385 ( 0.0A)
ALA  A 387 ( 0.0A)
ALA  A 175 (-0.0A)
GLY  A 382 (-0.0A)
PRO  A 390 ( 1.1A)
 1.46A 5jglA-4g9kA:
3.9		 5jglA-4g9kA:
20.74
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 ALA M 166
LEU M 164
LEU M 116
ALA M 249
PHE M 194
 None
 1.31A 5jglA-4heaM:
undetectable		 5jglA-4heaM:
20.04
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.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		5 ALA A 142
LEU A 100
ALA A 140
PHE A 106
GLY A 107
 None
 1.00A 5jglA-4iheA:
undetectable		 5jglA-4iheA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 LEU A 255
SER A 256
MET A 259
ALA A 282
PHE A 296
 SAH  A 501 (-4.3A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.9A)
SAH  A 501 (-3.6A)
None
 1.34A 5jglA-4ineA:
17.0		 5jglA-4ineA:
21.56
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 ALA A 141
LEU A 139
SER A 136
ALA A  40
ALA A  90
 None
 1.32A 5jglA-4jsoA:
undetectable		 5jglA-4jsoA:
19.90
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.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae) 		PF00873
(ACR_tran) 		5 ALA A  22
PHE A  25
GLY A  26
SER A  29
PRO A  31
 None
 0.76A 5jglA-4mt1A:
undetectable		 5jglA-4mt1A:
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.
4n0g PROTEIN PHOSPHATASE
2C 37

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 ALA A 294
LEU A 300
ALA A 224
GLY A 240
PRO A 261
 None
 1.00A 5jglA-4n0gA:
undetectable		 5jglA-4n0gA:
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.
4nef AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		5 ALA A  97
LEU A 189
SER A 188
PHE A  25
GLY A 100
 None
 1.26A 5jglA-4nefA:
undetectable		 5jglA-4nefA:
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ALA A 592
ALA A 594
LEU A 610
GLY A 613
SER A 614
 None
 1.30A 5jglA-4sliA:
undetectable		 5jglA-4sliA:
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.
4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 254
ALA A 252
LEU A  29
ALA A   9
SER A 194
 None
 1.36A 5jglA-4ubtA:
undetectable		 5jglA-4ubtA:
23.75
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.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		5 ALA A 388
SER A 383
ALA A  99
PHE A 102
SER A 106
 None
 1.09A 5jglA-4us4A:
undetectable		 5jglA-4us4A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		5 ALA A 556
ALA A 558
LEU A 574
GLY A 577
SER A 578
 None
 1.26A 5jglA-4x6kA:
undetectable		 5jglA-4x6kA:
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.
4xco SIGNAL RECOGNITION
PARTICLE 54 KDA
PROTEIN,SIGNAL
SEQUENCE

(Methanocaldococcus
jannaschii) 		PF02978
(SRP_SPB) 		5 LEU C 362
SER C 363
LEU C 468
PHE C 354
GLY C 353
 None
 0.94A 5jglA-4xcoC:
undetectable		 5jglA-4xcoC:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ALA A 115
LEU A 119
ALA A 231
GLY A 235
SER A 237
 None
 1.15A 5jglA-5a8rA:
undetectable		 5jglA-5a8rA:
18.17
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.
5b3k UNCHARACTERIZED
PROTEIN PA3435

(Pseudomonas
aeruginosa) 		PF00258
(Flavodoxin_1) 		5 THR A  58
ALA A  14
ALA A  18
GLY A   8
PRO A  36
 None
SO4  A 201 (-3.5A)
None
None
None
 1.02A 5jglA-5b3kA:
2.2		 5jglA-5b3kA:
19.10
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.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 ALA A 419
LEU A 417
SER A 414
LEU A 394
ALA A 495
 None
 1.07A 5jglA-5bs5A:
undetectable		 5jglA-5bs5A:
20.94
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.
5ecu CELLULASE

(Caldicellulosiruptor
saccharolyticus) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		5 ALA A 302
LEU A 299
GLY A 287
SER A 289
PRO A 297
 None
ACT  A 636 (-4.3A)
None
None
None
 1.32A 5jglA-5ecuA:
undetectable		 5jglA-5ecuA:
22.30
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.
5fip GH5 CELLULASE

(unidentified) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		5 ALA A 311
LEU A 308
GLY A 296
SER A 298
PRO A 306
 None
PEG  A1386 (-3.8A)
None
None
PEG  A1386 (-4.8A)
 1.30A 5jglA-5fipA:
undetectable		 5jglA-5fipA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR N 178
ALA N 116
LEU N 159
PHE N 163
GLY N 162
 None
 1.49A 5jglA-5fmgN:
undetectable		 5jglA-5fmgN:
20.06
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 THR a 439
ALA a 449
ALA a 453
LEU a 456
PHE a 436
 None
 1.27A 5jglA-5gw5a:
undetectable		 5jglA-5gw5a:
20.80
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.
5ic1 TALIN-1

(Mus musculus) 		no annotation 5 ALA A1595
ALA A1444
GLY A1448
SER A1450
PRO A1452
 None
 0.93A 5jglA-5ic1A:
undetectable		 5jglA-5ic1A:
21.46
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.
5int PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE

(Bacillus
anthracis) 		PF04127
(DFP) 		5 THR A 237
ALA A 218
ALA A 385
LEU A 389
GLY A 216
 None
 1.04A 5jglA-5intA:
5.4		 5jglA-5intA:
24.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jgj UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE

(Aspergillus
fumigatus) 		PF01209
(Ubie_methyltran) 		5 ALA A 126
PHE A 127
GLY A 128
SER A 131
PRO A 133
 None
 0.48A 5jglA-5jgjA:
25.3		 5jglA-5jgjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jgj UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE

(Aspergillus
fumigatus) 		PF01209
(Ubie_methyltran) 		5 ALA A 138
PHE A 127
GLY A 128
SER A 131
PRO A 133
 None
 1.21A 5jglA-5jgjA:
25.3		 5jglA-5jgjA:
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF03814
(KdpA) 		5 LEU A  36
ALA A  20
PHE A 268
GLY A  24
SER A  25
 None
 1.25A 5jglA-5mrwA:
undetectable		 5jglA-5mrwA:
17.26
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.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanotorris
formicicus) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ALA A 115
LEU A 119
ALA A 231
GLY A 235
SER A 237
 None
 1.11A 5jglA-5n28A:
2.1		 5jglA-5n28A:
20.35
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.
5nzb PROFILIN-2

(Betula pendula) 		no annotation 5 ALA A  24
LEU A  22
ALA A  26
PHE A 105
GLY A 106
 None
 1.26A 5jglA-5nzbA:
undetectable		 5jglA-5nzbA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN

(Burkholderia
ambifaria) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 184
LEU A 189
ALA A 204
GLY A 206
SER A 199
 None
None
CIT  A 401 (-4.0A)
None
None
 1.28A 5jglA-5tnxA:
8.5		 5jglA-5tnxA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5udb DNA REPLICATION
LICENSING FACTOR
MCM6

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ALA 6 365
ALA 6 592
PHE 6 591
GLY 6 590
PRO 6 369
 None
 1.40A 5jglA-5udb6:
undetectable		 5jglA-5udb6:
15.38
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.
5vqd BETA-GLUCOSIDE
PHOSPHORYLASE BGLX

(unidentified) 		no annotation 5 ALA A 111
SER A 532
ALA A 384
LEU A 385
SER A 391
 None
 1.36A 5jglA-5vqdA:
undetectable		 5jglA-5vqdA:
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.
5vye L-THREONINE ALDOLASE

(Pseudomonas
putida) 		no annotation 5 ALA A 215
LEU A 244
SER A 245
PHE A 178
GLY A 204
 None
 1.39A 5jglA-5vyeA:
2.7		 5jglA-5vyeA:
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.
5w7k OXAG

(Penicillium
oxalicum) 		no annotation 6 ALA A  54
SER A  84
ALA A 110
ALA A 126
SER A 131
PRO A 133
 SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.4A)
SAH  A 301 (-3.5A)
SAH  A 301 ( 4.5A)
None
 0.52A 5jglA-5w7kA:
29.5		 5jglA-5w7kA:
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.
5w7k OXAG

(Penicillium
oxalicum) 		no annotation 5 THR A  27
ALA A  54
SER A  84
ALA A 110
ALA A 126
 SAH  A 301 (-2.9A)
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.4A)
SAH  A 301 (-3.5A)
 0.67A 5jglA-5w7kA:
29.5		 5jglA-5w7kA:
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.
5w7m GLANDICOLINE B
O-METHYLTRANSFERASE
ROQN

(Penicillium
rubens) 		no annotation 6 ALA A  54
SER A  84
ALA A 110
ALA A 126
SER A 131
PRO A 133
 SAH  A 301 (-3.3A)
None
SAH  A 301 (-3.5A)
SAH  A 301 (-3.5A)
SAH  A 301 ( 4.4A)
None
 0.47A 5jglA-5w7mA:
29.2		 5jglA-5w7mA:
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.
5w7m GLANDICOLINE B
O-METHYLTRANSFERASE
ROQN

(Penicillium
rubens) 		no annotation 5 THR A  27
ALA A  54
SER A  84
ALA A 110
ALA A 126
 SAH  A 301 (-2.9A)
SAH  A 301 (-3.3A)
None
SAH  A 301 (-3.5A)
SAH  A 301 (-3.5A)
 0.64A 5jglA-5w7mA:
29.2		 5jglA-5w7mA:
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.
5wan PYRIMIDINE
MONOOXYGENASE RUTA

(Escherichia
coli) 		PF00296
(Bac_luciferase) 		5 THR A 119
ALA A 196
ALA A 228
GLY A 194
SER A 191
 FMN  A 409 ( 4.8A)
None
None
FMN  A 409 ( 3.7A)
FMN  A 409 (-2.5A)
 1.46A 5jglA-5wanA:
undetectable		 5jglA-5wanA:
18.64
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.
5x5y PROBABLE ATP-BINDING
COMPONENT OF ABC
TRANSPORTER

(Pseudomonas
aeruginosa) 		no annotation 5 ALA B 207
LEU B  34
LEU B 215
ALA B 221
GLY B 219
 None
 1.40A 5jglA-5x5yB:
2.2		 5jglA-5x5yB:
20.39
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.
6fg8 PROBABLE INACTIVE
RECEPTOR KINASE
AT1G27190

(Arabidopsis
thaliana) 		no annotation 5 LEU B 152
SER B 175
LEU B 133
GLY B 105
SER B 104
 None
 1.33A 5jglA-6fg8B:
undetectable		 5jglA-6fg8B:
undetectable