SIMILAR PATTERNS OF AMINO ACIDS FOR 4RDX_A_HISA502_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.
1bkh MUCONATE LACTONIZING
ENZYME

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 THR A  52
GLU A  50
GLY A 330
GLY A 305
 None
 0.72A 4rdxA-1bkhA:
undetectable		 4rdxA-1bkhA:
26.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1euz GLUTAMATE
DEHYDROGENASE

(Thermococcus
profundus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 GLU A 366
TYR A 226
GLY A 188
GLY A 186
 None
 0.75A 4rdxA-1euzA:
undetectable		 4rdxA-1euzA:
23.28
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.
1fiz BETA-ACROSIN HEAVY
CHAIN

(Sus scrofa) 		PF00089
(Trypsin) 		4 THR A 190
GLY A 216
TYR A 228
GLY A 226
 PBZ  A 308 (-3.4A)
PBZ  A 308 (-3.6A)
None
PBZ  A 308 ( 3.7A)
 0.91A 4rdxA-1fizA:
undetectable		 4rdxA-1fizA:
20.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4v HISTIDYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		7 THR B  83
GLU B 130
ARG B 259
TYR B 264
GLY B 285
TYR B 288
GLY B 304
 None
 0.61A 4rdxA-1h4vB:
47.1		 4rdxA-1h4vB:
99.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4v HISTIDYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 THR B  83
GLU B 130
ARG B 259
TYR B 264
GLY B 286
GLY B 304
 None
 1.37A 4rdxA-1h4vB:
47.1		 4rdxA-1h4vB:
99.76
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.
1htj KIAA0380

(Homo sapiens) 		PF09128
(RGS-like) 		4 GLU F 433
GLY F 426
TYR F 419
GLY F 428
 None
 0.85A 4rdxA-1htjF:
undetectable		 4rdxA-1htjF:
22.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLU A 131
ARG A 259
GLY A 285
TYR A 288
GLY A 304
 HIS  A 450 ( 3.0A)
AMP  A 451 ( 3.3A)
HIS  A 450 ( 3.8A)
None
HIS  A 450 ( 4.2A)
 1.23A 4rdxA-1httA:
35.6		 4rdxA-1httA:
42.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLU A 131
TYR A 263
GLY A 285
TYR A 288
GLY A 304
 HIS  A 450 ( 3.0A)
None
HIS  A 450 ( 3.8A)
None
HIS  A 450 ( 4.2A)
 1.01A 4rdxA-1httA:
35.6		 4rdxA-1httA:
42.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 THR A  85
GLU A 131
GLY A 285
TYR A 288
GLY A 304
 HIS  A 450 ( 3.2A)
HIS  A 450 ( 3.0A)
HIS  A 450 ( 3.8A)
None
HIS  A 450 ( 4.2A)
 0.44A 4rdxA-1httA:
35.6		 4rdxA-1httA:
42.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 THR A  85
GLU A 131
GLY A 286
GLY A 304
 HIS  A 450 ( 3.2A)
HIS  A 450 ( 3.0A)
None
HIS  A 450 ( 4.2A)
 0.81A 4rdxA-1httA:
35.6		 4rdxA-1httA:
42.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 THR A  85
GLU A 131
TYR A 264
TYR A 288
GLY A 304
 HIS  A 450 ( 3.2A)
HIS  A 450 ( 3.0A)
HIS  A 450 ( 4.6A)
None
HIS  A 450 ( 4.2A)
 0.74A 4rdxA-1httA:
35.6		 4rdxA-1httA:
42.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A1248
TYR A1218
GLY A1174
GLY A1243
 None
 0.88A 4rdxA-1jqbA:
2.6		 4rdxA-1jqbA:
22.82
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.
1k4j ACYL-HOMOSERINELACTO
NE SYNTHASE ESAI

(Pantoea
stewartii) 		PF00765
(Autoind_synth) 		4 GLU A  10
ARG A  68
TYR A  54
GLY A  51
 None
None
None
REO  A 406 (-4.4A)
 0.82A 4rdxA-1k4jA:
undetectable		 4rdxA-1k4jA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 THR A 287
ARG A 599
GLY A 597
GLY A 613
 None
 0.88A 4rdxA-1kwgA:
undetectable		 4rdxA-1kwgA:
25.72
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 THR A 177
GLY A 275
TYR A 235
GLY A 237
 None
 0.90A 4rdxA-1l5jA:
undetectable		 4rdxA-1l5jA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m2w MANNITOL
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 THR A 389
TYR A 334
GLY A 301
GLY A 297
 None
 0.87A 4rdxA-1m2wA:
undetectable		 4rdxA-1m2wA:
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.
1nnh ASPARAGINYL-TRNA
SYNTHETASE-RELATED
PEPTIDE

(Pyrococcus
furiosus) 		PF00152
(tRNA-synt_2) 		4 GLU A 120
ARG A 191
GLY A 219
GLY A 260
 None
 0.79A 4rdxA-1nnhA:
15.4		 4rdxA-1nnhA:
25.17
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.
1on9 METHYLMALONYL-COA
CARBOXYLTRANSFERASE
12S SUBUNIT

(Propionibacterium
freudenreichii) 		PF01039
(Carboxyl_trans) 		4 THR A  71
GLU A 147
ARG A  67
GLY A 113
 None
 0.81A 4rdxA-1on9A:
undetectable		 4rdxA-1on9A:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1poj ISOASPARTYL
DIPEPTIDASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		4 THR A 309
GLU A 308
GLY A 286
GLY A 306
 None
 0.89A 4rdxA-1pojA:
undetectable		 4rdxA-1pojA:
23.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 THR A  82
GLU A 130
TYR A 262
GLY A 286
TYR A 289
GLY A 305
 None
 0.77A 4rdxA-1qe0A:
38.1		 4rdxA-1qe0A:
42.02
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		5 THR C  55
GLU C  96
GLY C 253
TYR C 256
GLY C 265
 None
 0.50A 4rdxA-1usyC:
19.8		 4rdxA-1usyC:
23.60
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		5 THR C  55
GLU C  96
TYR C 234
TYR C 256
GLY C 265
 None
 0.89A 4rdxA-1usyC:
19.8		 4rdxA-1usyC:
23.60
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		5 THR C  55
TYR C 234
GLY C 266
TYR C 256
GLY C 265
 None
 1.35A 4rdxA-1usyC:
19.8		 4rdxA-1usyC:
23.60
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.
1vef ACETYLORNITHINE/ACET
YL-LYSINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		4 GLU A 192
ARG A 333
GLY A 199
GLY A 196
 PLP  A 513 (-3.9A)
None
None
None
 0.84A 4rdxA-1vefA:
undetectable		 4rdxA-1vefA:
25.91
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.
1vey PEPTIDE DEFORMYLASE

(Leptospira
interrogans) 		PF01327
(Pep_deformylase) 		4 GLU A 144
TYR A  71
GLY A  46
GLY A  48
 EPE  A1716 (-3.1A)
EPE  A1716 (-3.2A)
EPE  A1716 (-3.1A)
EPE  A1716 (-4.1A)
 0.68A 4rdxA-1veyA:
undetectable		 4rdxA-1veyA:
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.
1wyd HYPOTHETICAL
ASPARTYL-TRNA
SYNTHETASE

(Sulfurisphaera
tokodaii) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 GLU A 229
ARG A 327
GLY A 356
GLY A 396
 None
 0.60A 4rdxA-1wydA:
16.4		 4rdxA-1wydA:
23.47
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.
1z7d ORNITHINE
AMINOTRANSFERASE

(Plasmodium
yoelii) 		PF00202
(Aminotran_3) 		4 GLU A 199
ARG A 343
GLY A 206
GLY A 203
 None
 0.89A 4rdxA-1z7dA:
undetectable		 4rdxA-1z7dA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		4 THR A  86
GLU A 130
GLY A 288
GLY A 306
 None
 0.42A 4rdxA-1z7mA:
24.8		 4rdxA-1z7mA:
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		5 THR A  86
GLU A 130
TYR A 268
TYR A 291
GLY A 306
 None
 1.47A 4rdxA-1z7mA:
24.8		 4rdxA-1z7mA:
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.
2eo5 419AA LONG
HYPOTHETICAL
AMINOTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00202
(Aminotran_3) 		4 GLU A 219
ARG A 353
GLY A 226
GLY A 223
 PLP  A1001 ( 4.0A)
None
None
None
 0.86A 4rdxA-2eo5A:
undetectable		 4rdxA-2eo5A:
23.55
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.
2h8q RED FLUORESCENT
PROTEIN DRFP583

(Discosoma sp.) 		PF01353
(GFP) 		4 GLU A 160
TYR A 192
TYR A 151
GLY A 159
 None
 0.91A 4rdxA-2h8qA:
undetectable		 4rdxA-2h8qA:
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.
2uwb CELLULASE

(Tropaeolum
majus) 		PF00722
(Glyco_hydro_16)
PF06955
(XET_C) 		4 THR A 263
GLU A 265
GLY A 120
TYR A 252
 None
 0.88A 4rdxA-2uwbA:
undetectable		 4rdxA-2uwbA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		4 GLU A  31
TYR A  75
GLY A  72
GLY A  32
 None
 0.89A 4rdxA-2vcaA:
undetectable		 4rdxA-2vcaA:
18.95
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.
3a8u OMEGA-AMINO
ACID--PYRUVATE
AMINOTRANSFERASE

(Pseudomonas
putida) 		PF00202
(Aminotran_3) 		4 GLU X 226
ARG X 378
GLY X 233
GLY X 230
 PLP  X 450 (-4.0A)
None
None
None
 0.86A 4rdxA-3a8uX:
undetectable		 4rdxA-3a8uX:
23.51
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.
3b8i PA4872 OXALOACETATE
DECARBOXYLASE

(Pseudomonas
aeruginosa) 		PF13714
(PEP_mutase) 		4 ARG A 143
GLY A 140
TYR A 177
GLY A 138
 None
 0.89A 4rdxA-3b8iA:
undetectable		 4rdxA-3b8iA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cx7 GLUTAMATE
TRANSPORTER
ASSOCIATED PROTEIN
48

(Rattus
norvegicus) 		PF09128
(RGS-like) 		4 GLU B 450
GLY B 443
TYR B 436
GLY B 445
 None
 0.73A 4rdxA-3cx7B:
undetectable		 4rdxA-3cx7B:
19.81
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.
3du4 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		4 GLU A 217
ARG A 368
GLY A 225
GLY A 222
 PLP  A 450 (-4.2A)
None
None
None
 0.90A 4rdxA-3du4A:
undetectable		 4rdxA-3du4A:
24.13
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.
3fcp L-ALA-D/L-GLU
EPIMERASE, A
MUCONATE LACTONIZING
ENZYME

(Klebsiella
pneumoniae) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 THR A  53
GLU A  51
GLY A 330
GLY A 306
 None
 0.69A 4rdxA-3fcpA:
undetectable		 4rdxA-3fcpA:
25.78
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.
3fcr PUTATIVE
AMINOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF00202
(Aminotran_3) 		4 GLU A 226
ARG A 377
GLY A 233
GLY A 230
 LLP  A 288 (-4.0A)
None
None
None
 0.83A 4rdxA-3fcrA:
undetectable		 4rdxA-3fcrA:
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.
3fj4 MUCONATE
CYCLOISOMERASE

(Pseudomonas
protegens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 THR A  54
GLU A  52
GLY A 332
GLY A 307
 None
 0.68A 4rdxA-3fj4A:
undetectable		 4rdxA-3fj4A:
26.07
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.
3fsr NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A 248
TYR A 218
GLY A 174
GLY A 243
 None
 0.89A 4rdxA-3fsrA:
2.0		 4rdxA-3fsrA:
21.12
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.
3gbw E3 UBIQUITIN-PROTEIN
LIGASE MYCBP2

(Mus musculus) 		PF08005
(PHR) 		4 ARG A1255
GLY A1289
TYR A1331
GLY A1286
 None
 0.83A 4rdxA-3gbwA:
undetectable		 4rdxA-3gbwA:
15.82
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.
3gju PUTATIVE
AMINOTRANSFERASE

(Mesorhizobium
japonicum) 		PF00202
(Aminotran_3) 		4 GLU A 227
ARG A 378
GLY A 234
GLY A 231
 LLP  A 289 (-3.7A)
None
None
None
 0.79A 4rdxA-3gjuA:
undetectable		 4rdxA-3gjuA:
23.68
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.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		4 GLU A  18
TYR A  68
GLY A  64
GLY A  33
 None
 0.69A 4rdxA-3h3eA:
undetectable		 4rdxA-3h3eA:
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.
3j31 COAT PROTEIN

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 4 TYR A 267
GLY A  84
TYR A 218
GLY A  82
 None
 0.83A 4rdxA-3j31A:
undetectable		 4rdxA-3j31A:
22.90
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.
3jty BENF-LIKE PORIN

(Pseudomonas
protegens) 		PF03573
(OprD) 		4 THR A 159
GLU A 140
GLY A  90
GLY A 124
 None
 0.87A 4rdxA-3jtyA:
undetectable		 4rdxA-3jtyA:
20.32
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.
3kfu NON-DISCRIMINATING
AND ARCHAEAL-TYPE
ASPARTYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 GLU A 220
ARG A 322
GLY A 349
GLY A 389
 None
 0.77A 4rdxA-3kfuA:
10.7		 4rdxA-3kfuA:
25.55
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.
3lg0 ORNITHINE
AMINOTRANSFERASE

(Plasmodium
falciparum) 		PF00202
(Aminotran_3) 		4 GLU A 200
ARG A 344
GLY A 207
GLY A 204
 None
 0.89A 4rdxA-3lg0A:
undetectable		 4rdxA-3lg0A:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lm2 PUTATIVE KINASE

(Agrobacterium
fabrum) 		PF00480
(ROK) 		4 GLU A  73
TYR A  86
GLY A  38
GLY A  80
 None
 0.85A 4rdxA-3lm2A:
undetectable		 4rdxA-3lm2A:
22.64
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.
3lyr TRANSCRIPTION FACTOR
COE1

(Homo sapiens) 		PF16422
(COE1_DBD) 		4 ARG A  28
GLY A  46
TYR A 116
GLY A  48
 None
 0.76A 4rdxA-3lyrA:
undetectable		 4rdxA-3lyrA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m6i L-ARABINITOL
4-DEHYDROGENASE

(Neurospora
crassa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A  50
ARG A 138
GLY A 135
GLY A  77
 None
 0.85A 4rdxA-3m6iA:
undetectable		 4rdxA-3m6iA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3net HISTIDYL-TRNA
SYNTHETASE

(Nostoc sp. PCC
7120) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 THR A 100
GLY A 324
TYR A 327
GLY A 343
 None
 0.77A 4rdxA-3netA:
27.9		 4rdxA-3netA:
26.43
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.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		6 THR A  83
GLU A 129
TYR A 274
GLY A 294
TYR A 297
GLY A 312
 None
 0.97A 4rdxA-3od1A:
29.1		 4rdxA-3od1A:
27.15
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.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		5 THR A  83
GLU A 129
TYR A 274
GLY A 295
GLY A 312
 None
 1.36A 4rdxA-3od1A:
29.1		 4rdxA-3od1A:
27.15
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.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		5 THR A  83
GLU A 129
TYR A 275
TYR A 297
GLY A 312
 None
 0.78A 4rdxA-3od1A:
29.1		 4rdxA-3od1A:
27.15
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.
3oks 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		4 GLU A 230
ARG A 373
GLY A 237
GLY A 234
 LLP  A 292 ( 3.8A)
None
None
None
 0.85A 4rdxA-3oksA:
undetectable		 4rdxA-3oksA:
25.86
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.
3orj SUGAR-BINDING
PROTEIN

(Bacteroides
ovatus) 		no annotation 4 TYR A 131
GLY A  73
TYR A 133
GLY A  45
 None
EDO  A 470 (-4.2A)
None
None
 0.90A 4rdxA-3orjA:
undetectable		 4rdxA-3orjA:
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.
3p8t ASNS-LIKE
ASPARAGINYL-TRNA
SYNTHETASE RELATED
PROTEIN

(Pyrococcus
abyssi) 		PF00152
(tRNA-synt_2) 		4 GLU A 120
ARG A 191
GLY A 219
GLY A 260
 None
 0.77A 4rdxA-3p8tA:
15.3		 4rdxA-3p8tA:
24.31
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.
3pbi INVASION PROTEIN

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		4 THR A 232
GLY A 199
TYR A 175
GLY A 197
 None
 0.76A 4rdxA-3pbiA:
undetectable		 4rdxA-3pbiA:
19.34
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.
3r4t 4-AMINOBUTYRATE
AMINOTRANSFERASE
GABT

(Mycobacterium
marinum) 		PF00202
(Aminotran_3) 		4 GLU A 229
ARG A 372
GLY A 236
GLY A 233
 LLP  A 291 ( 3.8A)
None
None
None
 0.88A 4rdxA-3r4tA:
undetectable		 4rdxA-3r4tA:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		5 THR A  97
GLU A 149
ARG A 306
GLY A 330
GLY A 348
 LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-3.5A)
LMR  A 401 (-3.4A)
 1.20A 4rdxA-3racA:
26.4		 4rdxA-3racA:
27.06
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		4 THR A  97
GLU A 149
GLY A 331
GLY A 348
 LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-3.4A)
 0.85A 4rdxA-3racA:
26.4		 4rdxA-3racA:
27.06
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		5 THR A  97
GLU A 149
TYR A 311
TYR A 333
GLY A 348
 LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-4.5A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
 1.00A 4rdxA-3racA:
26.4		 4rdxA-3racA:
27.06
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.
4atq 4-AMINOBUTYRATE
TRANSAMINASE

(Paenarthrobacter
aurescens) 		PF00202
(Aminotran_3) 		4 GLU A 233
ARG A 381
GLY A 240
GLY A 237
 PLP  A1456 (-3.7A)
None
None
None
 0.87A 4rdxA-4atqA:
undetectable		 4rdxA-4atqA:
24.04
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.
4b98 BETA-ALANINE--PYRUVA
TE TRANSAMINASE

(Pseudomonas
aeruginosa) 		PF00202
(Aminotran_3) 		4 GLU A 226
ARG A 378
GLY A 233
GLY A 230
 PXG  A 470 (-3.9A)
None
None
None
 0.91A 4rdxA-4b98A:
undetectable		 4rdxA-4b98A:
23.82
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.
4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		4 THR A 119
ARG A  18
GLY A 125
GLY A 122
 None
 0.74A 4rdxA-4e21A:
2.6		 4rdxA-4e21A:
23.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e51 HISTIDINE--TRNA
LIGASE

(Burkholderia
thailandensis) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLU A 138
TYR A 269
GLY A 291
TYR A 294
GLY A 310
 HIS  A 501 (-2.7A)
None
HIS  A 501 ( 4.1A)
HIS  A 501 (-4.5A)
HIS  A 501 (-3.3A)
 1.14A 4rdxA-4e51A:
39.9		 4rdxA-4e51A:
40.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e51 HISTIDINE--TRNA
LIGASE

(Burkholderia
thailandensis) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 THR A  92
GLU A 138
ARG A 265
GLY A 291
TYR A 294
GLY A 310
 HIS  A 501 (-3.5A)
HIS  A 501 (-2.7A)
HIS  A 501 (-3.8A)
HIS  A 501 ( 4.1A)
HIS  A 501 (-4.5A)
HIS  A 501 (-3.3A)
 1.15A 4rdxA-4e51A:
39.9		 4rdxA-4e51A:
40.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e51 HISTIDINE--TRNA
LIGASE

(Burkholderia
thailandensis) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 THR A  92
GLU A 138
GLY A 292
GLY A 310
 HIS  A 501 (-3.5A)
HIS  A 501 (-2.7A)
None
HIS  A 501 (-3.3A)
 0.81A 4rdxA-4e51A:
39.9		 4rdxA-4e51A:
40.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e51 HISTIDINE--TRNA
LIGASE

(Burkholderia
thailandensis) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 THR A  92
GLU A 138
TYR A 270
TYR A 294
GLY A 310
 HIS  A 501 (-3.5A)
HIS  A 501 (-2.7A)
HIS  A 501 (-4.5A)
HIS  A 501 (-4.5A)
HIS  A 501 (-3.3A)
 0.70A 4rdxA-4e51A:
39.9		 4rdxA-4e51A:
40.88
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.
4ffc 4-AMINOBUTYRATE
AMINOTRANSFERASE
(GABT)

(Mycobacteroides
abscessus) 		PF00202
(Aminotran_3) 		4 GLU A 228
ARG A 371
GLY A 235
GLY A 232
 LLP  A 290 ( 3.7A)
None
None
None
 0.87A 4rdxA-4ffcA:
undetectable		 4rdxA-4ffcA:
25.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4grx AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00202
(Aminotran_3) 		4 GLU A 223
ARG A 373
GLY A 230
GLY A 227
 LLP  A 285 ( 3.8A)
None
None
None
 0.83A 4rdxA-4grxA:
undetectable		 4rdxA-4grxA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7g TRYPSIN-LIKE
PROTEASE

(Saccharopolyspora
erythraea) 		PF00089
(Trypsin) 		4 THR A 174
GLY A 196
TYR A 208
GLY A 206
 None
 0.88A 4rdxA-4m7gA:
undetectable		 4rdxA-4m7gA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 THR A 132
GLY A 360
TYR A 363
GLY A 381
 HIS  A1001 (-3.6A)
HIS  A1001 (-3.6A)
HIS  A1001 (-4.6A)
HIS  A1001 (-3.7A)
 0.45A 4rdxA-4phcA:
31.2		 4rdxA-4phcA:
28.22
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.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 THR A 132
TYR A 331
TYR A 363
GLY A 381
 HIS  A1001 (-3.6A)
HIS  A1001 (-4.7A)
HIS  A1001 (-4.6A)
HIS  A1001 (-3.7A)
 0.81A 4rdxA-4phcA:
31.2		 4rdxA-4phcA:
28.22
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 GLU A 306
ARG A  60
TYR A  89
GLY A 464
 None
 0.87A 4rdxA-4udrA:
undetectable		 4rdxA-4udrA:
25.18
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.
4w5j ADENYLATE KINASE

(Streptococcus
pneumoniae) 		PF00406
(ADK) 		4 THR A 137
ARG A 124
GLY A  12
GLY A  14
 AP5  A 302 (-3.0A)
AP5  A 302 (-3.5A)
AP5  A 302 (-3.3A)
AP5  A 302 (-3.5A)
 0.85A 4rdxA-4w5jA:
2.4		 4rdxA-4w5jA:
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.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		4 GLU A 276
ARG A 147
GLY A 152
GLY A 149
 None
 0.82A 4rdxA-4xiiA:
undetectable		 4rdxA-4xiiA:
22.81
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.
4yhg GH5

(Bacteroidetes
bacterium AC2a) 		PF00150
(Cellulase) 		4 GLU A 278
GLY A 269
TYR A 320
GLY A 266
 None
 0.83A 4rdxA-4yhgA:
undetectable		 4rdxA-4yhgA:
21.64
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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 THR A 128
GLY A 339
TYR A 342
GLY A 359
 HIS  A 501 (-3.7A)
HIS  A 501 ( 4.3A)
HIS  A 501 (-4.6A)
HIS  A 501 (-3.5A)
 0.42A 4rdxA-4yrpA:
31.6		 4rdxA-4yrpA:
29.04
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 GLU A 637
GLY A 629
TYR A 769
GLY A 631
 None
 0.90A 4rdxA-4zktA:
undetectable		 4rdxA-4zktA:
14.84
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.
4zlv ORNITHINE
AMINOTRANSFERASE,
MITOCHONDRIAL,
PUTATIVE

(Toxoplasma
gondii) 		PF00202
(Aminotran_3) 		4 GLU A 224
ARG A 369
GLY A 231
GLY A 228
 PLP  A 501 (-4.0A)
None
None
None
 0.87A 4rdxA-4zlvA:
undetectable		 4rdxA-4zlvA:
24.22
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 THR A 784
GLU A 773
GLY A 617
GLY A 770
 None
 0.82A 4rdxA-5a0zA:
undetectable		 4rdxA-5a0zA:
21.35
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.
5djo KINESIN-LIKE PROTEIN

(Mus musculus) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		4 TYR A  80
GLY A  47
TYR A  63
GLY A  58
 None
 0.65A 4rdxA-5djoA:
undetectable		 4rdxA-5djoA:
18.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e3i HISTIDINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLU A 133
TYR A 265
GLY A 287
TYR A 290
GLY A 309
 HIS  A 502 (-2.6A)
None
HIS  A 502 ( 3.8A)
HIS  A 502 (-4.5A)
HIS  A 502 (-3.5A)
 1.04A 4rdxA-5e3iA:
37.0		 4rdxA-5e3iA:
38.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e3i HISTIDINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 THR A  87
GLU A 133
ARG A 261
GLY A 287
TYR A 290
GLY A 309
 HIS  A 502 (-3.4A)
HIS  A 502 (-2.6A)
ATP  A 501 (-2.8A)
HIS  A 502 ( 3.8A)
HIS  A 502 (-4.5A)
HIS  A 502 (-3.5A)
 1.06A 4rdxA-5e3iA:
37.0		 4rdxA-5e3iA:
38.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e3i HISTIDINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 THR A  87
GLU A 133
ARG A 261
TYR A 266
TYR A 290
GLY A 309
 HIS  A 502 (-3.4A)
HIS  A 502 (-2.6A)
ATP  A 501 (-2.8A)
HIS  A 502 (-4.7A)
HIS  A 502 (-4.5A)
HIS  A 502 (-3.5A)
 1.20A 4rdxA-5e3iA:
37.0		 4rdxA-5e3iA:
38.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e3i HISTIDINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 THR A  87
GLU A 133
GLY A 288
GLY A 309
 HIS  A 502 (-3.4A)
HIS  A 502 (-2.6A)
None
HIS  A 502 (-3.5A)
 0.73A 4rdxA-5e3iA:
37.0		 4rdxA-5e3iA:
38.29
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.
5e5d PEPTIDE DEFORMYLASE

(Xanthomonas
oryzae) 		PF01327
(Pep_deformylase) 		5 GLU A 142
ARG A  68
TYR A  69
GLY A  44
GLY A  46
 CD  A 202 ( 4.2A)
None
None
None
None
 1.44A 4rdxA-5e5dA:
undetectable		 4rdxA-5e5dA:
21.58
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.
5g3y ADENYLATE KINSE

(synthetic
construct) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 THR A 136
ARG A 123
GLY A  12
GLY A  14
 ADP  A1215 (-3.7A)
ADP  A1215 (-3.6A)
ADP  A1215 (-3.2A)
ADP  A1215 (-3.6A)
 0.77A 4rdxA-5g3yA:
undetectable		 4rdxA-5g3yA:
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.
5g3z ADENYLATE KINSE

(synthetic
construct) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 THR A 136
ARG A 123
GLY A  12
GLY A  14
 AP5  A1217 (-3.1A)
AP5  A1217 (-3.7A)
AP5  A1217 (-3.1A)
AP5  A1217 (-3.6A)
 0.90A 4rdxA-5g3zA:
2.1		 4rdxA-5g3zA:
20.61
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.
5ghf AMINOTRANSFERASE
CLASS-III

(Ochrobactrum
anthropi) 		PF00202
(Aminotran_3) 		4 GLU A 225
ARG A 375
GLY A 232
GLY A 229
 PMP  A 501 (-3.9A)
None
None
None
 0.82A 4rdxA-5ghfA:
undetectable		 4rdxA-5ghfA:
25.55
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.
5kob PEPTIDE DEFORMYLASE

(Paraburkholderia
xenovorans) 		PF01327
(Pep_deformylase) 		5 GLU A 142
ARG A  68
TYR A  69
GLY A  44
GLY A  46
 FE2  A 201 ( 4.2A)
None
FMT  A 202 ( 4.1A)
FMT  A 203 (-3.2A)
FMT  A 203 ( 4.9A)
 1.37A 4rdxA-5kobA:
undetectable		 4rdxA-5kobA:
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.
5kqw 4-AMINOBUTYRATE
TRANSAMINASE

(Pseudomonas) 		PF00202
(Aminotran_3) 		4 GLU A 226
ARG A 377
GLY A 233
GLY A 230
 None
 0.78A 4rdxA-5kqwA:
undetectable		 4rdxA-5kqwA:
22.59
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.
5kr6 4-AMINOBUTYRATE
TRANSAMINASE

(Pseudomonas) 		PF00202
(Aminotran_3) 		4 GLU A 226
ARG A 377
GLY A 233
GLY A 230
 PLP  A 501 (-3.8A)
None
None
None
 0.80A 4rdxA-5kr6A:
undetectable		 4rdxA-5kr6A:
22.79
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.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		4 GLU A 222
ARG A 373
GLY A 229
GLY A 226
 PLP  A1001 (-3.1A)
None
None
None
 0.87A 4rdxA-5lh9A:
undetectable		 4rdxA-5lh9A:
23.79
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.
5ohs -

(-) 		no annotation 4 GLU A 580
ARG A 632
GLY A 630
GLY A 615
 None
None
SCN  A 702 ( 4.3A)
SCN  A 702 ( 3.8A)
 0.90A 4rdxA-5ohsA:
undetectable		 4rdxA-5ohsA:
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.
5u39 UDP-3-O-ACYL-N-ACETY
LGLUCOSAMINE
DEACETYLASE

(Pseudomonas
aeruginosa) 		PF03331
(LpxC) 		4 GLU A  99
ARG A 201
GLY A 208
GLY A  17
 None
C90  A 502 (-3.3A)
None
None
 0.84A 4rdxA-5u39A:
undetectable		 4rdxA-5u39A:
23.02
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.
5uhe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Mycobacterium
tuberculosis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 THR D1229
ARG D 412
GLY D 411
GLY D 408
 None
 0.83A 4rdxA-5uheD:
undetectable		 4rdxA-5uheD:
17.18
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.
5vym BETA-GALACTOSIDASE
BGAB

(Bifidobacterium
adolescentis) 		PF08532
(Glyco_hydro_42M) 		4 THR A  74
ARG A 116
GLY A 109
GLY A  94
 None
 0.89A 4rdxA-5vymA:
undetectable		 4rdxA-5vymA:
21.71