SIMILAR PATTERNS OF AMINO ACIDS FOR 5C0O_G_SAMG301_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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 ALA A 343
GLY A 362
ALA A 357
GLU A 389
LEU A 394
 None
 1.00A 5c0oG-1b41A:
2.1		 5c0oG-1b41A:
20.48
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.
1bsg BETA LACTAMASE

(Streptomyces
albus) 		PF13354
(Beta-lactamase2) 		5 ALA A 257
GLY A  54
GLY A  52
GLY A 291
LEU A 290
 None
None
None
ACT  A 299 (-4.5A)
None
 0.92A 5c0oG-1bsgA:
undetectable		 5c0oG-1bsgA:
23.71
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.
1ehi D-ALANINE:D-LACTATE
LIGASE

(Leuconostoc
mesenteroides) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ALA A 131
THR A 110
GLY A 106
LEU A 105
ALA A 182
 None
 0.99A 5c0oG-1ehiA:
undetectable		 5c0oG-1ehiA:
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.
1i84 SMOOTH MUSCLE MYOSIN
HEAVY CHAIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		6 THR S 269
GLY S 235
LEU S 443
ALA S 277
ARG S 276
LYS S 432
 None
 1.45A 5c0oG-1i84S:
undetectable		 5c0oG-1i84S:
11.31
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		6 ALA A 362
GLY A 314
GLY A 316
GLY A 146
LEU A 145
ALA A 311
 None
 1.41A 5c0oG-1kplA:
undetectable		 5c0oG-1kplA:
21.04
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.
1ktn 2-DEOXYRIBOSE-5-PHOS
PHATE ALDOLASE

(Escherichia
coli) 		PF01791
(DeoC) 		6 ALA A 177
PRO A 202
GLY A 171
GLY A 204
GLY A 236
ALA A 174
 None
 1.21A 5c0oG-1ktnA:
undetectable		 5c0oG-1ktnA:
21.15
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 PRO A  16
THR A  17
GLY A  41
GLY A  43
GLY A  46
 SAH  A 801 (-4.3A)
SAH  A 801 (-3.7A)
SAH  A 801 (-3.4A)
SAH  A 801 (-3.2A)
SAH  A 801 (-3.2A)
 0.90A 5c0oG-1l3iA:
21.7		 5c0oG-1l3iA:
24.90
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.
1oh9 ACETYLGLUTAMATE
KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		5 ALA A 161
GLY A  43
GLY A  11
LEU A  13
ALA A  81
 NLG  A1260 ( 3.2A)
NLG  A1260 ( 3.5A)
ADP  A1259 ( 3.8A)
None
None
 0.93A 5c0oG-1oh9A:
2.7		 5c0oG-1oh9A:
24.83
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.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 ALA A 171
GLY A 235
GLY A 219
ALA A 167
LEU A 397
 None
None
None
NAG  A 603 (-3.3A)
None
 0.98A 5c0oG-1ot5A:
2.2		 5c0oG-1ot5A:
20.25
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.
1php 3-PHOSPHOGLYCERATE
KINASE

(Geobacillus
stearothermophilus) 		PF00162
(PGK) 		6 GLY A 219
GLY A 320
GLY A 330
ALA A 196
LYS A 197
GLU A 239
 ADP  A 396 (-3.3A)
ADP  A 396 (-3.2A)
None
ADP  A 396 (-3.9A)
None
None
 1.40A 5c0oG-1phpA:
3.1		 5c0oG-1phpA:
21.62
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.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 GLY A 235
GLY A 338
GLY A 348
ALA A 212
LYS A 213
 MAP  A 450 (-3.5A)
MAP  A 450 (-3.2A)
None
MAP  A 450 ( 4.2A)
None
 1.00A 5c0oG-1qpgA:
4.2		 5c0oG-1qpgA:
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.
1uj4 RIBOSE 5-PHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF06026
(Rib_5-P_isom_A) 		5 ALA A 178
PRO A 137
GLY A 205
LEU A 206
LEU A 155
 None
 0.97A 5c0oG-1uj4A:
4.0		 5c0oG-1uj4A:
26.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcg ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Thermus
thermophilus) 		PF01070
(FMN_dh) 		5 PRO A 242
GLY A 264
GLY A 215
GLY A  27
LEU A  28
 None
FMN  A 501 (-4.3A)
None
None
None
 0.88A 5c0oG-1vcgA:
undetectable		 5c0oG-1vcgA:
25.00
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		6 ALA A 193
THR A 143
GLY A 283
GLY A 192
ALA A 339
LEU A 286
 None
NAP  A 800 (-3.9A)
None
None
None
None
 1.47A 5c0oG-1vljA:
3.8		 5c0oG-1vljA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vrd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Thermotoga
maritima) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA A  54
GLY A  64
GLY A  62
LEU A  40
ALA A 219
 None
 0.98A 5c0oG-1vrdA:
undetectable		 5c0oG-1vrdA:
20.40
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.
1wel RNA-BINDING PROTEIN
12

(Homo sapiens) 		PF00076
(RRM_1) 		5 ALA A 470
GLY A 436
GLY A 472
GLY A 474
LEU A 434
 None
 0.85A 5c0oG-1welA:
undetectable		 5c0oG-1welA:
18.37
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.
1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE

(Spinacia
oleracea) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 GLY I 272
GLY I 299
GLY I 110
ARG I 259
LEU I 261
 None
None
None
CL  I 604 (-4.3A)
None
 0.99A 5c0oG-1yveI:
4.5		 5c0oG-1yveI:
20.16
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.
1z3z DIALKYLGLYCINE
DECARBOXYLASE

(Burkholderia
cepacia) 		PF00202
(Aminotran_3) 		5 GLY A 275
GLY A 277
GLY A  58
LEU A  57
LEU A 274
 None
 1.00A 5c0oG-1z3zA:
2.2		 5c0oG-1z3zA:
22.54
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.
1z5v TUBULIN GAMMA-1
CHAIN

(Homo sapiens) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 GLY A 148
GLY A 144
GLY A  11
LEU A  10
ALA A 105
 None
GSP  A2466 (-3.0A)
GSP  A2466 (-3.1A)
None
None
 0.90A 5c0oG-1z5vA:
2.1		 5c0oG-1z5vA:
19.07
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.
1zbs HYPOTHETICAL PROTEIN
PG1100

(Porphyromonas
gingivalis) 		PF01869
(BcrAD_BadFG) 		5 ALA A  95
GLY A  96
GLY A  69
ALA A 102
ARG A 103
 None
 0.87A 5c0oG-1zbsA:
undetectable		 5c0oG-1zbsA:
22.96
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.
1zmr PHOSPHOGLYCERATE
KINASE

(Escherichia
coli) 		PF00162
(PGK) 		5 ALA A 144
GLY A 142
GLY A 363
ALA A  20
LEU A 166
 None
 0.97A 5c0oG-1zmrA:
5.3		 5c0oG-1zmrA:
23.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b25 HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF08704
(GCD14) 		5 THR A  87
GLY A 111
GLY A 113
GLY A 116
ARG A 137
 SAM  A 601 (-3.7A)
SAM  A 601 (-2.9A)
SAM  A 601 (-3.2A)
SAM  A 601 (-3.5A)
None
 0.76A 5c0oG-2b25A:
26.8		 5c0oG-2b25A:
30.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e54 ACETYLORNITHINE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00202
(Aminotran_3) 		6 GLY A 243
GLY A 245
GLY A  43
LEU A  42
ALA A 275
LEU A 242
 None
None
EDO  A1003 ( 3.8A)
None
None
None
 1.43A 5c0oG-2e54A:
2.1		 5c0oG-2e54A:
22.60
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.
2eh6 ACETYLORNITHINE
AMINOTRANSFERASE

(Aquifex
aeolicus) 		PF00202
(Aminotran_3) 		6 GLY A 244
GLY A 246
GLY A  43
LEU A  42
ALA A 277
LEU A 243
 None
 1.38A 5c0oG-2eh6A:
2.3		 5c0oG-2eh6A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 GLY A 284
GLY A 286
GLY A  57
LEU A  56
ALA A 316
LEU A 283
 None
 1.40A 5c0oG-2eo5A:
2.9		 5c0oG-2eo5A:
21.10
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.
2f9y ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Escherichia
coli) 		PF01039
(Carboxyl_trans) 		5 ALA B 107
GLY B 135
GLY B 164
ALA B 140
ARG B 141
 None
 0.97A 5c0oG-2f9yB:
undetectable		 5c0oG-2f9yB:
24.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermotoga
maritima) 		PF01174
(SNO) 		6 ALA D  76
PRO D  44
GLY D  80
GLY D  46
LYS D  86
LEU D  96
 None
 1.37A 5c0oG-2issD:
undetectable		 5c0oG-2issD:
23.97
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.
2ivd PROTOPORPHYRINOGEN
OXIDASE

(Myxococcus
xanthus) 		PF01593
(Amino_oxidase) 		5 ALA A  23
GLY A  17
GLY A  21
GLY A 440
ALA A 245
 None
FAD  A1466 ( 4.7A)
None
FAD  A1466 (-3.3A)
None
 0.96A 5c0oG-2ivdA:
undetectable		 5c0oG-2ivdA:
23.22
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.
2j1o GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE

(Sinapis alba) 		PF00348
(polyprenyl_synt) 		5 ALA A  74
GLY A 204
LEU A  66
ALA A 199
LEU A  59
 None
 0.92A 5c0oG-2j1oA:
undetectable		 5c0oG-2j1oA:
24.91
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.
2o3i HYPOTHETICAL PROTEIN

(Chromobacterium
violaceum) 		PF06032
(DUF917) 		5 ALA A 137
PRO A 139
GLY A  26
GLY A  24
LEU A 112
 None
 0.99A 5c0oG-2o3iA:
undetectable		 5c0oG-2o3iA:
24.34
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.
2o3i HYPOTHETICAL PROTEIN

(Chromobacterium
violaceum) 		PF06032
(DUF917) 		5 GLY A 205
GLY A  82
GLY A 163
LEU A 164
ALA A  66
 None
 0.98A 5c0oG-2o3iA:
undetectable		 5c0oG-2o3iA:
24.34
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.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		6 GLY A 258
GLY A 260
GLY A  57
LEU A  56
ALA A 291
LEU A 257
 None
EDO  A1002 ( 4.6A)
None
None
None
None
 1.26A 5c0oG-2pb0A:
2.9		 5c0oG-2pb0A:
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.
2pla GLYCEROL-3-PHOSPHATE
DEHYDROGENASE 1-LIKE
PROTEIN

(Homo sapiens) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 ALA A 276
GLY A 214
GLY A 218
LEU A 219
GLU A 236
 None
 0.94A 5c0oG-2plaA:
5.4		 5c0oG-2plaA:
21.10
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.
2q2r GLUCOKINASE 1,
PUTATIVE

(Trypanosoma
cruzi) 		PF02685
(Glucokinase) 		5 ALA A 111
GLY A  93
GLY A 101
GLY A  98
GLU A 236
 None
BGC  A1001 (-3.1A)
None
None
BGC  A1001 (-2.6A)
 0.98A 5c0oG-2q2rA:
undetectable		 5c0oG-2q2rA:
23.59
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.
2r1v DJ-1

(Homo sapiens) 		PF01965
(DJ-1_PfpI) 		6 ALA A 106
PRO A 109
THR A 110
GLY A  78
GLY A  74
LEU A  77
 None
 1.50A 5c0oG-2r1vA:
3.3		 5c0oG-2r1vA:
21.69
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.
2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE

(Homo sapiens) 		PF00368
(HMG-CoA_red) 		5 GLY A 808
GLY A 806
GLY A 803
ALA A 525
LEU A 811
 None
SO4  A   1 ( 4.6A)
None
None
None
 0.83A 5c0oG-2r4fA:
undetectable		 5c0oG-2r4fA:
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.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		5 GLY E 103
GLY E 105
GLY E 108
LEU E 109
ARG E 128
 SAM  E1287 (-3.1A)
SAM  E1287 (-3.6A)
None
None
SAM  E1287 (-4.9A)
 0.77A 5c0oG-2vdvE:
12.3		 5c0oG-2vdvE:
22.06
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.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		5 THR E 259
GLY E 103
GLY E 105
GLY E 108
LEU E 109
 SAM  E1287 (-2.8A)
SAM  E1287 (-3.1A)
SAM  E1287 (-3.6A)
None
None
 0.95A 5c0oG-2vdvE:
12.3		 5c0oG-2vdvE:
22.06
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.
2w68 SIALIDASE

(Vibrio cholerae) 		PF09264
(Sial-lect-inser) 		5 ALA A  75
GLY A 202
GLY A  70
GLY A  72
ALA A 204
 None
 0.95A 5c0oG-2w68A:
undetectable		 5c0oG-2w68A:
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.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 ALA A 871
GLY A 844
LEU A 883
ARG A 868
LEU A 864
 None
 1.00A 5c0oG-2xt6A:
undetectable		 5c0oG-2xt6A:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		5 THR A 472
GLY A 474
LEU A 473
ALA A 440
LEU A 465
 None
 0.83A 5c0oG-2yn9A:
3.6		 5c0oG-2yn9A:
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.
2yrf METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Bacillus
subtilis) 		PF01008
(IF-2B) 		6 ALA A 166
THR A  59
GLY A  52
GLY A  57
GLU A 296
LEU A  48
 None
None
SO4  A 501 (-4.2A)
None
None
None
 1.25A 5c0oG-2yrfA:
5.5		 5c0oG-2yrfA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yv2 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Aeropyrum
pernix) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 ALA A  30
GLY A  43
GLY A  55
GLU A  90
LEU A  17
 None
 0.90A 5c0oG-2yv2A:
5.9		 5c0oG-2yv2A:
26.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		5 ALA A 266
GLY A 263
ALA A 330
GLU A 350
LEU A 322
 None
 1.00A 5c0oG-2z1kA:
undetectable		 5c0oG-2z1kA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zoo PROBABLE NITRITE
REDUCTASE

(Pseudoalteromonas
haloplanktis) 		PF00034
(Cytochrom_C)
PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 ALA A 258
GLY A 162
GLY A 221
GLY A 219
ALA A 135
 None
 0.96A 5c0oG-2zooA:
undetectable		 5c0oG-2zooA:
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.
2zuk ALPHA-AMINO-EPSILON-
CAPROLACTAM RACEMASE

(Achromobacter
obae) 		PF00202
(Aminotran_3) 		5 GLY A 270
GLY A 272
GLY A  55
LEU A  54
LEU A 269
 None
 0.97A 5c0oG-2zukA:
2.3		 5c0oG-2zukA:
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.
2zuk ALPHA-AMINO-EPSILON-
CAPROLACTAM RACEMASE

(Achromobacter
obae) 		PF00202
(Aminotran_3) 		5 PRO A 400
GLY A 268
GLY A  55
LEU A  54
LEU A 244
 None
 0.99A 5c0oG-2zukA:
2.3		 5c0oG-2zukA:
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.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 GLY A 232
GLY A 256
GLY A 459
LEU A 253
GLU A 184
 NAD  A 500 (-3.0A)
NAD  A 500 (-3.3A)
None
None
None
 0.99A 5c0oG-3b4wA:
4.0		 5c0oG-3b4wA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9y AMMONIUM TRANSPORTER
FAMILY RH-LIKE
PROTEIN

(Nitrosomonas
europaea) 		PF00909
(Ammonium_transp) 		5 ALA A 273
GLY A 241
GLY A 270
LEU A 237
LEU A 291
 None
 1.00A 5c0oG-3b9yA:
undetectable		 5c0oG-3b9yA:
21.48
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.
3b9y AMMONIUM TRANSPORTER
FAMILY RH-LIKE
PROTEIN

(Nitrosomonas
europaea) 		PF00909
(Ammonium_transp) 		5 GLY A 241
GLY A 290
GLY A 285
ALA A 267
LEU A 244
 None
 0.94A 5c0oG-3b9yA:
undetectable		 5c0oG-3b9yA:
21.48
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.
3cnj CHOLESTEROL OXIDASE

(Streptomyces
sp. SA-COO) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 290
GLY A 475
GLY A 450
ALA A  22
GLU A  40
 FAD  A 510 (-3.5A)
FAD  A 510 (-3.6A)
None
None
FAD  A 510 (-2.7A)
 0.97A 5c0oG-3cnjA:
2.7		 5c0oG-3cnjA:
19.37
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.
3d6k PUTATIVE
AMINOTRANSFERASE

(Corynebacterium
diphtheriae) 		PF12897
(Aminotran_MocR) 		5 ALA A  95
GLY A  74
GLY A 286
LYS A  61
LEU A 293
 None
 0.79A 5c0oG-3d6kA:
4.4		 5c0oG-3d6kA:
20.42
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.
3e03 SHORT CHAIN
DEHYDROGENASE

(Xanthomonas
campestris) 		PF13561
(adh_short_C2) 		5 ALA A  28
THR A   9
GLY A  65
GLY A  63
ALA A  56
 None
 0.96A 5c0oG-3e03A:
6.1		 5c0oG-3e03A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g0o 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		6 ALA A 135
GLY A  20
GLY A  15
LEU A  14
ALA A 159
LEU A  26
 None
 1.24A 5c0oG-3g0oA:
6.3		 5c0oG-3g0oA:
23.15
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.
3h6e CARBOHYDRATE KINASE,
FGGY

(Novosphingobium
aromaticivorans) 		PF00370
(FGGY_N) 		5 GLY A  76
GLY A  78
GLY A 124
LEU A 125
ALA A 151
 None
 0.99A 5c0oG-3h6eA:
undetectable		 5c0oG-3h6eA:
21.61
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.
3h77 PQS BIOSYNTHETIC
ENZYME

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 139
GLY A 162
GLY A 160
LEU A 142
ALA A 165
 None
 0.98A 5c0oG-3h77A:
undetectable		 5c0oG-3h77A:
25.00
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.
3hu5 ISOCHORISMATASE
FAMILY PROTEIN

(Desulfovibrio
vulgaris) 		PF00857
(Isochorismatase) 		5 PRO A  37
THR A  35
GLY A  41
ALA A  46
ARG A  47
 None
 0.95A 5c0oG-3hu5A:
3.8		 5c0oG-3hu5A:
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.
3iha SALT-TOLERANT
GLUTAMINASE

(Micrococcus
luteus) 		PF04960
(Glutaminase) 		6 ALA A  44
PRO A  46
THR A 213
GLY A 208
GLY A 274
GLY A 271
 None
 1.32A 5c0oG-3ihaA:
undetectable		 5c0oG-3ihaA:
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.
3iha SALT-TOLERANT
GLUTAMINASE

(Micrococcus
luteus) 		PF04960
(Glutaminase) 		6 ALA A  44
PRO A  46
THR A 213
GLY A 274
GLY A 271
LEU A 145
 None
 1.43A 5c0oG-3ihaA:
undetectable		 5c0oG-3ihaA:
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN
ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN

(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		PF01960
(ArgJ)
PF01960
(ArgJ) 		5 ALA A  18
GLY A 186
GLY A  15
GLY A 157
LEU B 205
 None
 0.97A 5c0oG-3it4A:
undetectable		 5c0oG-3it4A:
22.56
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.
3lss SERYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		6 ALA A 374
PRO A 351
GLY A 349
ALA A 428
LYS A 316
GLU A 318
 None
None
None
ATP  A 501 (-3.2A)
None
None
 1.45A 5c0oG-3lssA:
undetectable		 5c0oG-3lssA:
19.06
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.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		6 GLY A 191
GLY A 194
LEU A 196
ALA A 214
ARG A 213
LEU A 211
 SAH  A 346 ( 3.7A)
None
None
None
SAH  A 346 (-3.4A)
None
 1.43A 5c0oG-3lstA:
10.0		 5c0oG-3lstA:
24.14
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.
3lwd 6-PHOSPHOGLUCONOLACT
ONASE

(Chromohalobacter
salexigens) 		PF01182
(Glucosamine_iso) 		5 THR A 138
GLY A  40
GLY A 131
LEU A 130
ALA A  80
 None
 1.01A 5c0oG-3lwdA:
3.2		 5c0oG-3lwdA:
25.00
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.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		6 GLY A  32
GLY A  34
LEU A 102
ALA A  56
GLU A  88
LEU A 108
 SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
SAH  A 216 (-4.6A)
SAH  A 216 (-3.8A)
SAH  A 216 (-2.9A)
SAH  A 216 (-4.0A)
 1.19A 5c0oG-3mq2A:
11.6		 5c0oG-3mq2A:
24.09
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.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		6 THR A 191
GLY A  32
GLY A  34
LEU A 102
ALA A  56
GLU A  88
 SAH  A 216 (-2.7A)
SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
SAH  A 216 (-4.6A)
SAH  A 216 (-3.8A)
SAH  A 216 (-2.9A)
 1.47A 5c0oG-3mq2A:
11.6		 5c0oG-3mq2A:
24.09
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.
3n2c PROLIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 GLY A 108
GLY A 131
LEU A 113
ALA A 163
ARG A 164
 None
 0.92A 5c0oG-3n2cA:
undetectable		 5c0oG-3n2cA:
22.54
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.
3qo7 SERYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Candida
albicans) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		6 ALA A 356
PRO A 333
GLY A 331
ALA A 407
LYS A 300
GLU A 302
 None
None
None
ATP  A 486 (-3.3A)
ATP  A 486 (-3.1A)
None
 1.15A 5c0oG-3qo7A:
undetectable		 5c0oG-3qo7A:
20.25
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 GLY A 232
GLY A 256
GLY A 459
LEU A 253
GLU A 183
 None
 0.96A 5c0oG-3rh9A:
4.1		 5c0oG-3rh9A:
21.94
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.
3ruy ORNITHINE
AMINOTRANSFERASE

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 GLY A 258
GLY A 260
GLY A  55
ALA A 292
LEU A 257
 LLP  A 255 ( 4.1A)
LLP  A 255 ( 4.8A)
None
None
None
 1.00A 5c0oG-3ruyA:
undetectable		 5c0oG-3ruyA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rv6 ISOCHORISMATE
SYNTHASE/ISOCHORISMA
TE-PYRUVATE LYASE
MBTI

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind) 		6 ALA A 400
THR A 403
GLY A 108
LEU A 384
ALA A 106
LEU A  46
 None
 1.48A 5c0oG-3rv6A:
undetectable		 5c0oG-3rv6A:
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.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 THR A 347
GLY A 342
LEU A 338
GLU A 166
LEU A 335
 None
None
None
MG  A 430 ( 4.7A)
None
 0.98A 5c0oG-3tqpA:
undetectable		 5c0oG-3tqpA:
20.09
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.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA A  60
GLY A  70
GLY A  68
LEU A  46
ALA A 226
 None
 0.94A 5c0oG-3tsdA:
undetectable		 5c0oG-3tsdA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ufk UNDA

(Shewanella sp.
HRCR_06) 		PF13435
(Cytochrome_C554) 		5 ALA A 423
PRO A 425
GLY A 429
GLY A 432
ALA A 387
 None
 1.00A 5c0oG-3ufkA:
undetectable		 5c0oG-3ufkA:
16.43
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.
3whp PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Thermus
thermophilus) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		5 GLY A 106
GLY A 114
ALA A 101
ARG A 105
LEU A  87
 None
 0.96A 5c0oG-3whpA:
2.6		 5c0oG-3whpA:
27.07
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.
4ade SUCCINYLORNITHINE
TRANSAMINASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		6 GLY A 255
GLY A 257
GLY A  54
LEU A  53
ALA A 288
LEU A 254
 None
 1.42A 5c0oG-4adeA:
2.2		 5c0oG-4adeA:
22.12
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.
4am3 POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Caulobacter
vibrioides) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 GLY A 465
GLY A 537
LEU A 536
ALA A 467
LYS A 496
 None
None
None
None
PO4  A1621 (-3.2A)
 0.96A 5c0oG-4am3A:
undetectable		 5c0oG-4am3A:
16.96
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.
4b46 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 ALA A  11
GLY A 108
GLY A 106
GLY A 135
ALA A  70
 GDP  A1368 (-3.3A)
GDP  A1368 ( 3.8A)
GDP  A1368 (-3.6A)
None
None
 1.00A 5c0oG-4b46A:
3.0		 5c0oG-4b46A:
22.47
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.
4bem F1FO ATPASE C2
SUBUNIT
F1FO ATPASE C1
SUBUNIT

(Acetobacterium
woodii;
Acetobacterium
woodii) 		PF00137
(ATP-synt_C)
PF00137
(ATP-synt_C) 		5 ALA J  78
GLY J 134
GLY J 130
GLY A  30
ALA J  50
 None
 0.82A 5c0oG-4bemJ:
undetectable		 5c0oG-4bemJ:
21.77
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.
4blp PACKAGING ENZYME P4

(Pseudomonas
phage phi13) 		PF11602
(NTPase_P4) 		5 GLY A 147
GLY A 250
LEU A 249
ALA A 255
LEU A 242
 None
 1.01A 5c0oG-4blpA:
undetectable		 5c0oG-4blpA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dna PROBABLE GLUTATHIONE
REDUCTASE

(Sinorhizobium
meliloti) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 404
GLY A 355
GLY A 420
LEU A 419
ALA A 361
 None
 0.98A 5c0oG-4dnaA:
3.0		 5c0oG-4dnaA:
22.47
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.
4eht ACTIVATOR OF
2-HYDROXYISOCAPROYL-
COA DEHYDRATASE

(Clostridioides
difficile) 		PF01869
(BcrAD_BadFG) 		6 ALA A 249
THR A  63
GLY A  15
GLY A   5
ALA A  26
LEU A 242
 None
None
None
None
None
CL  A 306 ( 4.7A)
 1.32A 5c0oG-4ehtA:
undetectable		 5c0oG-4ehtA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fsj CAPSID PROTEIN BETA

(Flock House
virus) 		PF01829
(Peptidase_A6) 		5 PRO A 119
THR A 118
GLY A 287
GLY A 290
ALA A 284
 None
 0.97A 5c0oG-4fsjA:
undetectable		 5c0oG-4fsjA:
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.
4fte CAPSID PROTEIN ALPHA

(Flock House
virus) 		PF01829
(Peptidase_A6) 		5 PRO A 119
THR A 118
GLY A 287
GLY A 290
ALA A 284
 None
 1.00A 5c0oG-4fteA:
undetectable		 5c0oG-4fteA:
19.32
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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		5 ALA A 155
THR A 172
GLY A 129
GLY A 152
GLY A 178
 None
None
TAR  A 701 (-3.7A)
None
None
 0.81A 5c0oG-4issA:
undetectable		 5c0oG-4issA:
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.
4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 ALA A 235
GLY A 206
GLY A 204
LEU A 203
ALA A 213
 None
 0.85A 5c0oG-4jn6A:
undetectable		 5c0oG-4jn6A:
24.29
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.
4jz6 SALICYLALDEHYDE
DEHYDROGENASE NAHF

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 GLY A 228
GLY A 252
GLY A 453
LEU A 249
GLU A 175
 None
 0.98A 5c0oG-4jz6A:
4.6		 5c0oG-4jz6A:
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.
4lwo ARGININE
N-METHYLTRANSFERASE,
PUTATIVE

(Trypanosoma
brucei) 		no annotation 5 GLY B  62
GLY B  64
LEU B  68
ALA B  85
GLU B 113
 None
 0.86A 5c0oG-4lwoB:
8.4		 5c0oG-4lwoB:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oib INTERCELLULAR
ADHESION MOLECULE 5

(Homo sapiens) 		PF03921
(ICAM_N) 		5 PRO A 114
GLY A 117
GLY A 147
ALA A 120
LEU A 171
 None
 0.97A 5c0oG-4oibA:
undetectable		 5c0oG-4oibA:
22.83
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.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		6 GLY A 367
GLY A 254
GLY A  76
LEU A  49
ALA A 373
GLU A 324
 None
 1.33A 5c0oG-4oqjA:
undetectable		 5c0oG-4oqjA:
16.53
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.
4p53 CYCLASE

(Streptomyces
hygroscopicus) 		PF01761
(DHQ_synthase) 		5 ALA A 166
GLY A 132
GLY A 134
ALA A 130
ARG A 155
 NAI  A 502 (-3.5A)
None
NAI  A 502 (-3.1A)
None
None
 1.00A 5c0oG-4p53A:
3.4		 5c0oG-4p53A:
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.
4qnx TRNA
(MO5U34)-METHYLTRANS
FERASE

(Escherichia
coli) 		PF08003
(Methyltransf_9) 		5 PRO A 153
GLY A 150
GLY A 130
GLY A 180
LEU A 179
 None
 0.96A 5c0oG-4qnxA:
12.3		 5c0oG-4qnxA:
22.02
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.
4qyj ALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 GLY A 245
GLY A 269
GLY A 473
LEU A 266
GLU A 196
 None
 0.87A 5c0oG-4qyjA:
4.2		 5c0oG-4qyjA:
19.41
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.
4rnw NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 ALA A 220
GLY A 218
GLY A 179
ALA A 236
LEU A 297
 None
 0.95A 5c0oG-4rnwA:
undetectable		 5c0oG-4rnwA:
23.06
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.
4rnx NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 ALA A 369
GLY A 367
GLY A 328
ALA A 385
LEU A  47
 None
 0.96A 5c0oG-4rnxA:
2.1		 5c0oG-4rnxA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4up3 THIOREDOXIN
REDUCTASE

(Entamoeba
histolytica) 		PF07992
(Pyr_redox_2) 		5 GLY A  39
GLY A  35
ALA A 121
ARG A 123
GLU A 167
 None
FAD  A1315 (-3.4A)
None
None
None
 0.96A 5c0oG-4up3A:
undetectable		 5c0oG-4up3A:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xa8 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE
NAD-BINDING

(Xanthobacter
autotrophicus) 		PF02826
(2-Hacid_dh_C) 		5 ALA A 158
GLY A 150
GLY A 155
ALA A 233
LEU A 149
 None
 0.75A 5c0oG-4xa8A:
7.3		 5c0oG-4xa8A:
25.46
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.
4xvx ACYL-[ACYL-CARRIER-P
ROTEIN]
DEHYDROGENASE MBTN

(Mycobacterium
tuberculosis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 243
GLY A  72
LEU A  71
ALA A 308
LEU A  64
 None
 0.98A 5c0oG-4xvxA:
undetectable		 5c0oG-4xvxA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y25 POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
EXPORT PROTEIN

(Escherichia
coli) 		no annotation 5 ALA A 725
PRO A 724
GLY A 747
GLY A 749
GLU A 800
 None
 0.98A 5c0oG-4y25A:
undetectable		 5c0oG-4y25A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ync NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 ALA A 121
GLY A 119
GLY A  80
ALA A 137
LEU A 198
 None
 0.95A 5c0oG-4yncA:
undetectable		 5c0oG-4yncA:
22.72
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.
4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE

(Bacillus cereus) 		PF05547
(Peptidase_M6) 		5 ALA A  60
GLY A 319
GLY A 323
GLY A 328
LEU A 327
 None
 0.97A 5c0oG-4yu5A:
undetectable		 5c0oG-4yu5A:
15.78