SIMILAR PATTERNS OF AMINO ACIDS FOR 3P2K_A_SAMA6735_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.
1a80 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE A

(Corynebacterium
sp.) 		PF00248
(Aldo_ket_red) 		5 ALA A 209
ALA A 206
LEU A 223
THR A 251
LEU A 250
 None
 0.98A 3p2kA-1a80A:
undetectable		 3p2kA-1a80A:
20.43
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.
1a80 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE A

(Corynebacterium
sp.) 		PF00248
(Aldo_ket_red) 		5 ALA A 209
ALA A 206
PHE A 246
THR A 251
LEU A 250
 None
 1.07A 3p2kA-1a80A:
undetectable		 3p2kA-1a80A:
20.43
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.
1b65 PROTEIN
(AMINOPEPTIDASE)

(Ochrobactrum
anthropi) 		PF03576
(Peptidase_S58) 		5 GLY A 196
GLY A 194
ASN A 179
ALA A 213
ALA A 198
 None
 1.06A 3p2kA-1b65A:
undetectable		 3p2kA-1b65A:
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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		5 GLY A 325
GLY A 323
ALA A 231
LEU A 259
LEU A 233
 None
 1.04A 3p2kA-1c7tA:
undetectable		 3p2kA-1c7tA:
14.02
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.
1iq0 ARGINYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 ASN A 351
PRO A 525
ALA A 519
ALA A 520
LEU A 136
 None
 1.00A 3p2kA-1iq0A:
undetectable		 3p2kA-1iq0A:
16.55
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.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 GLY A  42
ALA A 107
ALA A 104
LEU A  39
LEU A 164
 None
 1.05A 3p2kA-1j0nA:
undetectable		 3p2kA-1j0nA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 GLY A  43
ALA A 107
ALA A 104
LEU A  39
LEU A 164
 None
 0.86A 3p2kA-1j0nA:
undetectable		 3p2kA-1j0nA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mbm CHYMOTRYPSIN-LIKE
SERINE PROTEASE

(Equine
arteritis virus) 		PF05579
(Peptidase_S32) 		5 GLY A  23
GLY A 121
LEU A  35
THR A  48
LEU A  49
 None
 1.00A 3p2kA-1mbmA:
undetectable		 3p2kA-1mbmA:
21.68
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 GLY A 503
GLY A 505
LEU A 528
THR A 484
LEU A 550
 None
 1.06A 3p2kA-1mz5A:
undetectable		 3p2kA-1mz5A:
15.67
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.
1ukm EMS16 A CHAIN
EMS16 B CHAIN

(Echis
multisquamatus;
Echis
multisquamatus) 		PF00059
(Lectin_C)
PF00059
(Lectin_C) 		5 GLY A  71
ALA B  88
PHE A 127
THR A 108
LEU A 107
 None
 0.86A 3p2kA-1ukmA:
undetectable		 3p2kA-1ukmA:
19.16
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.
1vcg ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Thermus
thermophilus) 		PF01070
(FMN_dh) 		5 GLY A 268
ALA A 276
ALA A 325
LEU A 307
LEU A 314
 None
 1.04A 3p2kA-1vcgA:
undetectable		 3p2kA-1vcgA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xxi DNA POLYMERASE III
SUBUNIT GAMMA

(Escherichia
coli) 		PF12169
(DNA_pol3_gamma3)
PF13177
(DNA_pol3_delta2) 		5 GLY B 242
ALA B 207
ALA B 210
THR B 221
LEU B 220
 None
 1.03A 3p2kA-1xxiB:
undetectable		 3p2kA-1xxiB:
20.11
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.
2bi3 PHOSPHOSERINE
AMINOTRANSFERASE

(Bacillus
alcalophilus) 		PF00266
(Aminotran_5) 		5 GLY A 326
GLY A 331
ASN A 309
ALA A   9
THR A 152
 None
None
None
None
PLP  A1361 (-2.7A)
 1.03A 3p2kA-2bi3A:
undetectable		 3p2kA-2bi3A:
20.65
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.
2cvz 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A   8
GLY A  13
PHE A  60
THR A  65
LEU A  63
 NDP  A1302 (-3.4A)
None
None
None
NDP  A1302 (-4.2A)
 0.96A 3p2kA-2cvzA:
3.7		 3p2kA-2cvzA:
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.
2i7n PANTOTHENATE KINASE
1

(Homo sapiens) 		PF03630
(Fumble) 		5 GLY A 440
ALA A 515
ALA A 463
LEU A 549
LEU A 460
 None
 1.03A 3p2kA-2i7nA:
2.3		 3p2kA-2i7nA:
19.44
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.
2i7p PANTOTHENATE KINASE
3

(Homo sapiens) 		PF03630
(Fumble) 		5 GLY A 215
ALA A 290
ALA A 238
LEU A 324
LEU A 235
 None
 0.92A 3p2kA-2i7pA:
undetectable		 3p2kA-2i7pA:
23.27
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.
2ogx MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		5 GLY A  79
GLY A  47
ALA A  84
ALA A 105
LEU A  77
 ATP  A 281 (-3.2A)
ATP  A 281 (-3.1A)
None
None
None
 1.03A 3p2kA-2ogxA:
undetectable		 3p2kA-2ogxA:
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.
2qne PUTATIVE
METHYLTRANSFERASE

(Desulfitobacterium
hafniense) 		PF06253
(MTTB) 		5 GLY A 311
GLY A 313
ALA A 291
LEU A 344
THR A 338
 None
 1.05A 3p2kA-2qneA:
undetectable		 3p2kA-2qneA:
18.33
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.
2rbc SUGAR KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		6 GLY A  14
ALA A  16
LEU A 140
TRP A  64
THR A  87
LEU A  63
 None
 1.37A 3p2kA-2rbcA:
2.8		 3p2kA-2rbcA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vcy TRANS-2-ENOYL-COA
REDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 108
ALA A 131
ALA A 148
LEU A 135
TRP A 138
 None
 0.92A 3p2kA-2vcyA:
4.9		 3p2kA-2vcyA:
19.14
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.
2x4g NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		5 GLY A 178
GLY A 124
ALA A 310
THR A 241
LEU A 240
 None
 0.97A 3p2kA-2x4gA:
3.9		 3p2kA-2x4gA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3all 2-METHYL-3-HYDROXYPY
RIDINE-5-CARBOXYLIC
ACID OXYGENASE

(Mesorhizobium
japonicum) 		PF01494
(FAD_binding_3) 		5 GLY A 287
GLY A 157
ALA A 301
LEU A 285
THR A  25
 FAD  A 380 (-3.4A)
FAD  A 380 ( 3.8A)
FAD  A 380 (-3.0A)
None
None
 1.06A 3p2kA-3allA:
undetectable		 3p2kA-3allA:
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.
3b40 PROBABLE DIPEPTIDASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		5 GLY A 297
GLY A 396
ALA A 267
LEU A 366
LEU A 302
 None
 1.03A 3p2kA-3b40A:
undetectable		 3p2kA-3b40A:
21.85
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.
3cex UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF04978
(DUF664) 		5 ASN A  60
ALA A 152
LEU A 114
THR A  10
LEU A  11
 None
 1.07A 3p2kA-3cexA:
undetectable		 3p2kA-3cexA:
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.
3ckk TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Homo sapiens) 		PF02390
(Methyltransf_4) 		5 GLY A  54
GLY A  56
ALA A 111
LEU A 130
PHE A 131
 GOL  A 302 ( 3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.7A)
SAM  A 301 (-4.8A)
SAM  A 301 (-4.8A)
 0.69A 3p2kA-3ckkA:
5.0		 3p2kA-3ckkA:
23.08
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.
3cx3 LIPOPROTEIN

(Streptococcus
pneumoniae) 		PF01297
(ZnuA) 		5 GLY A 227
PRO A 237
PHE A 258
THR A 270
LEU A 271
 None
 1.04A 3p2kA-3cx3A:
undetectable		 3p2kA-3cx3A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e6a GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
CYTOSOLIC

(Oryza sativa) 		no annotation 5 ALA O 216
LEU O 312
PHE O 297
THR O 156
LEU O 159
 None
None
None
SO4  O6921 (-4.8A)
None
 1.05A 3p2kA-3e6aO:
3.2		 3p2kA-3e6aO:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fz0 NUCLEOSIDE
HYDROLASE, PUTATIVE

(Trypanosoma
brucei) 		PF01156
(IU_nuc_hydro) 		5 GLY A 132
ASN A 163
ALA A 107
ALA A 108
TRP A  38
 CA  A 400 ( 4.4A)
None
None
None
None
 1.00A 3p2kA-3fz0A:
2.9		 3p2kA-3fz0A:
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.
3i4j AMINOTRANSFERASE,
CLASS III

(Deinococcus
radiodurans) 		PF00202
(Aminotran_3) 		5 GLY A 236
PRO A 198
ALA A 230
ALA A 257
LEU A 244
 None
 1.03A 3p2kA-3i4jA:
undetectable		 3p2kA-3i4jA:
20.15
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.
3k11 PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF07470
(Glyco_hydro_88) 		5 GLY A 105
ALA A 113
ALA A 114
THR A 124
LEU A 111
 None
None
None
EDO  A  17 (-3.8A)
None
 1.04A 3p2kA-3k11A:
undetectable		 3p2kA-3k11A:
18.04
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.
3k1l FANCL

(Drosophila
melanogaster) 		no annotation 5 GLY B 362
PRO B 365
PHE B 356
THR B 349
LEU B 350
 None
None
None
AU  B 391 (-4.4A)
None
 1.00A 3p2kA-3k1lB:
undetectable		 3p2kA-3k1lB:
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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT C

(Thermus
thermophilus;
Thermus
thermophilus) 		PF01425
(Amidase)
PF02686
(Glu-tRNAGln) 		5 GLY E 311
GLY E 315
ALA E 329
LEU E 313
PHE G  83
 None
 1.06A 3p2kA-3kfuE:
undetectable		 3p2kA-3kfuE:
18.79
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.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 GLY A  32
GLY A  34
ALA A  87
LEU A 102
LEU A 108
 SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
SAH  A 216 (-3.5A)
SAH  A 216 (-4.6A)
SAH  A 216 (-4.0A)
 0.34A 3p2kA-3mq2A:
27.2		 3p2kA-3mq2A:
29.74
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.
3na6 SUCCINYLGLUTAMATE
DESUCCINYLASE/ASPART
OACYLASE

(Ruegeria sp.
TM1040) 		PF04952
(AstE_AspA) 		5 GLY A 326
GLY A 305
LEU A 307
THR A 249
LEU A 250
 None
 0.94A 3p2kA-3na6A:
undetectable		 3p2kA-3na6A:
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.
3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Lactobacillus
brevis) 		PF00348
(polyprenyl_synt) 		5 PRO A  51
ALA A  73
ALA A  74
LEU A  41
LEU A  23
 None
 1.01A 3p2kA-3pkoA:
undetectable		 3p2kA-3pkoA:
19.54
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.
3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)

(Mycobacterium
ulcerans) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 211
ALA A 220
ALA A  82
LEU A 250
LEU A  67
 LLP  A 208 ( 4.2A)
None
None
None
None
 0.96A 3p2kA-3qi6A:
undetectable		 3p2kA-3qi6A:
18.48
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.
3qz6 HPCH/HPAI ALDOLASE

(Desulfitobacterium
hafniense) 		PF03328
(HpcH_HpaI) 		5 GLY A 234
ALA A 214
ALA A 213
LEU A  18
PHE A  38
 None
 1.06A 3p2kA-3qz6A:
undetectable		 3p2kA-3qz6A:
21.03
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.
3srz TOXIN A

(Clostridioides
difficile) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		5 GLY A 262
ALA A 266
ALA A 267
LEU A 140
LEU A 264
 None
None
None
None
UPG  A 556 (-3.9A)
 0.92A 3p2kA-3srzA:
undetectable		 3p2kA-3srzA:
17.94
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.
3tcl CH04 HEAVY CHAIN FAB

(Homo sapiens) 		no annotation 5 GLY H  33
GLY H 100
ASN H  53
ALA H  93
TRP H 100
 None
 1.06A 3p2kA-3tclH:
undetectable		 3p2kA-3tclH:
20.62
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.
3tmg GLYCINE BETAINE,
L-PROLINE ABC
TRANSPORTER,
GLYCINE/BETAINE/L-PR
OLINE-BINDING
PROTEIN (PROX)

(Borreliella
burgdorferi) 		PF04069
(OpuAC) 		5 GLY A  77
ALA A 234
LEU A 222
PHE A  98
LEU A 227
 None
 1.07A 3p2kA-3tmgA:
undetectable		 3p2kA-3tmgA:
21.33
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.
3uwd PHOSPHOGLYCERATE
KINASE

(Bacillus
anthracis) 		PF00162
(PGK) 		5 GLY A 257
ALA A 190
ALA A 191
LEU A 252
LEU A 215
 BTB  A 401 ( 4.9A)
None
None
None
None
 1.05A 3p2kA-3uwdA:
2.4		 3p2kA-3uwdA:
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.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		6 GLY A 238
ALA A 181
ALA A 180
LEU A 235
PHE A 258
LEU A 242
 None
 1.50A 3p2kA-3wc3A:
undetectable		 3p2kA-3wc3A:
18.84
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.
3zuy TRANSPORTER

(Neisseria
meningitidis) 		PF01758
(SBF) 		5 GLY A  73
ALA A 243
ALA A 244
THR A 258
LEU A 257
 None
None
None
PTY  A1319 (-4.0A)
None
 0.97A 3p2kA-3zuyA:
undetectable		 3p2kA-3zuyA:
22.46
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.
4aoa BETA-PHENYLALANINE
AMINOTRANSFERASE

(Variovorax
paradoxus) 		PF00202
(Aminotran_3) 		5 GLY A  79
ALA A  60
ALA A  70
THR A 408
LEU A 407
 None
GOL  A1436 ( 3.7A)
GOL  A1436 (-3.8A)
GOL  A1436 ( 4.8A)
None
 1.07A 3p2kA-4aoaA:
undetectable		 3p2kA-4aoaA:
19.69
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.
4atb INTERLEUKIN
ENHANCER-BINDING
FACTOR 2

(Mus musculus) 		PF07528
(DZF) 		5 GLY A 249
ALA A 267
LEU A 245
THR A 219
LEU A 223
 None
 1.05A 3p2kA-4atbA:
undetectable		 3p2kA-4atbA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dve BIOTIN TRANSPORTER
BIOY

(Lactococcus
lactis) 		PF02632
(BioY) 		5 GLY A  49
GLY A  57
LEU A  51
PHE A 183
LEU A 107
 None
 1.02A 3p2kA-4dveA:
undetectable		 3p2kA-4dveA:
22.32
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.
4eel BETA-PHOSPHOGLUCOMUT
ASE-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF13419
(HAD_2) 		5 ALA A 102
ALA A  99
PHE A   6
THR A 229
LEU A 228
 None
 0.96A 3p2kA-4eelA:
undetectable		 3p2kA-4eelA:
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.
4f6t MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		5 GLY A  79
GLY A  47
ALA A  84
ALA A 105
LEU A  77
 ATP  A 301 (-3.2A)
ATP  A 301 (-3.1A)
None
None
None
 1.05A 3p2kA-4f6tA:
undetectable		 3p2kA-4f6tA:
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.
4fgw GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(+)] 1

(Saccharomyces
cerevisiae) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		6 GLY A 272
GLY A 274
ALA A 267
LEU A 244
PHE A 279
LEU A 362
 None
 1.37A 3p2kA-4fgwA:
3.9		 3p2kA-4fgwA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 12
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13

(Thermus
thermophilus;
Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
PF00361
(Proton_antipo_M) 		5 ALA M 395
ALA M 392
PHE L 169
THR M 380
LEU M 381
 None
 0.99A 3p2kA-4heaM:
undetectable		 3p2kA-4heaM:
17.51
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.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Rickettsia
rickettsii) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 202
GLY A 180
ALA A  93
ALA A  94
LEU A 118
 None
 0.97A 3p2kA-4jgaA:
undetectable		 3p2kA-4jgaA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 GLY A 171
GLY A 199
ALA A 280
LEU A 173
LEU A 203
 None
 0.95A 3p2kA-4jn6A:
undetectable		 3p2kA-4jn6A:
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.
4kh3 ANTIGEN 43

(Escherichia
coli) 		PF16168
(AIDA) 		5 GLY A 111
GLY A 109
ALA A 132
ALA A 113
LEU A  90
 MLI  A 604 ( 4.5A)
None
None
None
None
 1.05A 3p2kA-4kh3A:
undetectable		 3p2kA-4kh3A:
17.32
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.
4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		5 GLY A 148
GLY A 144
ALA A 191
ALA A 192
LEU A 189
 None
 1.01A 3p2kA-4kzkA:
2.5		 3p2kA-4kzkA:
20.28
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.
4lg9 F-BOX-LIKE/WD
REPEAT-CONTAINING
PROTEIN TBL1XR1

(Homo sapiens) 		PF00400
(WD40) 		5 GLY A 243
GLY A 247
ALA A 241
PHE A 270
LEU A 272
 None
 0.91A 3p2kA-4lg9A:
undetectable		 3p2kA-4lg9A:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		5 GLY A  12
ALA A 308
ALA A 309
THR A  68
LEU A  67
 GLY  A  12 ( 0.0A)
ALA  A 308 ( 0.0A)
ALA  A 309 ( 0.0A)
THR  A  68 ( 0.8A)
LEU  A  67 ( 0.5A)
 1.07A 3p2kA-4mwtA:
undetectable		 3p2kA-4mwtA:
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		5 GLY A 105
PRO A 158
ALA A 135
ALA A 136
THR A  95
 None
 1.06A 3p2kA-4n0iA:
undetectable		 3p2kA-4n0iA:
19.79
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.
4o5p UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF09994
(DUF2235) 		5 GLY A 233
GLY A  68
ALA A 239
LEU A  93
THR A  72
 None
 1.06A 3p2kA-4o5pA:
undetectable		 3p2kA-4o5pA:
13.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		7 GLY Y  32
GLY Y  34
ASN Y  38
ALA Y  87
PHE Y 105
THR Y 109
TRP Y 197
 SFG  Y 301 (-3.9A)
SFG  Y 301 (-3.1A)
SFG  Y 301 ( 4.5A)
SFG  Y 301 (-4.0A)
SFG  Y 301 (-4.8A)
SFG  Y 301 (-3.3A)
SFG  Y 301 (-3.5A)
 1.48A 3p2kA-4ox9Y:
31.7		 3p2kA-4ox9Y:
98.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		11 GLY Y  32
GLY Y  34
ASN Y  38
PRO Y  56
ALA Y  86
ALA Y  87
LEU Y 104
PHE Y 105
THR Y 109
LEU Y 110
TRP Y 197
 SFG  Y 301 (-3.9A)
SFG  Y 301 (-3.1A)
SFG  Y 301 ( 4.5A)
SFG  Y 301 (-4.4A)
SFG  Y 301 ( 4.1A)
SFG  Y 301 (-4.0A)
SFG  Y 301 (-4.6A)
SFG  Y 301 (-4.8A)
SFG  Y 301 (-3.3A)
SFG  Y 301 (-4.0A)
SFG  Y 301 (-3.5A)
 0.70A 3p2kA-4ox9Y:
31.7		 3p2kA-4ox9Y:
98.65
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.
4psd CARBOHYDRATE
ESTERASE FAMILY 5

(Trichoderma
reesei) 		PF01083
(Cutinase) 		5 GLY A 101
GLY A  97
ASN A  95
ALA A 233
ALA A 236
 None
 1.00A 3p2kA-4psdA:
undetectable		 3p2kA-4psdA:
22.14
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.
4pzc 3-HYDROXYACYL-COA
DEHYDROGENASE

(Cupriavidus
necator) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A 278
GLY A 276
ALA A 232
THR A 239
LEU A 237
 None
 1.04A 3p2kA-4pzcA:
5.2		 3p2kA-4pzcA:
22.22
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		5 GLY A 262
ALA A 266
ALA A 267
LEU A 140
LEU A 264
 None
 1.04A 3p2kA-4r04A:
undetectable		 3p2kA-4r04A:
8.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rlv ANKYRIN-1, ANKYRIN-2

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5) 		5 ALA A2588
ALA A2587
LEU A2576
THR A2565
LEU A2567
 None
 1.06A 3p2kA-4rlvA:
undetectable		 3p2kA-4rlvA:
13.51
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 362
ALA A 314
ALA A 364
THR A 317
LEU A 316
 None
 1.03A 3p2kA-4udrA:
3.0		 3p2kA-4udrA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v2p KETOSYNTHASE

(Myxococcus
fulvus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 295
GLY A  88
ALA A 170
ALA A 171
LEU A 122
 None
 0.93A 3p2kA-4v2pA:
undetectable		 3p2kA-4v2pA:
19.89
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.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 ASN A 404
ALA A 425
LEU A 405
PHE A 402
LEU A 399
 None
 1.06A 3p2kA-4w1wA:
undetectable		 3p2kA-4w1wA:
18.12
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.
4wgx MOLINATE HYDROLASE

(Gulosibacter
molinativorax) 		PF01979
(Amidohydro_1) 		5 GLY A 105
GLY A 367
LEU A 448
THR A 432
LEU A 433
 None
 1.00A 3p2kA-4wgxA:
undetectable		 3p2kA-4wgxA:
17.60
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.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 GLY D 311
ALA D 357
ALA D 315
LEU D 227
LEU D 354
 None
 1.03A 3p2kA-4x28D:
undetectable		 3p2kA-4x28D:
19.13
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Drosophila
melanogaster) 		PF07034
(ORC3_N) 		5 PRO C  48
ALA C 331
LEU C 342
THR C 349
LEU C 348
 None
 0.90A 3p2kA-4xgcC:
undetectable		 3p2kA-4xgcC:
15.48
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.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		5 GLY A 140
PRO A 191
ALA A 168
ALA A 169
THR A 131
 TYL  A 502 ( 4.9A)
None
None
None
None
 1.05A 3p2kA-4yjiA:
undetectable		 3p2kA-4yjiA:
16.16
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.
4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE

(Bacillus cereus) 		PF05547
(Peptidase_M6) 		6 GLY A 693
PRO A 690
ALA A 768
ALA A 770
LEU A 695
THR A 398
 None
 1.43A 3p2kA-4yu5A:
undetectable		 3p2kA-4yu5A:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yuf CORB

(Corallococcus
coralloides) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 295
GLY A  88
ALA A 170
ALA A 171
LEU A 122
 None
 1.01A 3p2kA-4yufA:
undetectable		 3p2kA-4yufA:
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.
4z0h GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
GAPC1, CYTOSOLIC

(Arabidopsis
thaliana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA O 211
LEU O 307
PHE O 292
THR O 151
LEU O 154
 None
None
None
SO4  O 403 ( 4.4A)
None
 1.06A 3p2kA-4z0hO:
4.2		 3p2kA-4z0hO:
22.45
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.
4zow MULTIDRUG
TRANSPORTER MDFA

(Escherichia
coli) 		PF07690
(MFS_1) 		5 GLY A 378
GLY A 376
ALA A 302
ALA A 303
LEU A 382
 None
 1.07A 3p2kA-4zowA:
undetectable		 3p2kA-4zowA:
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.
5b3j NMDA GLUTAMATE
RECEPTOR SUBUNIT

(Xenopus laevis) 		PF01094
(ANF_receptor) 		5 GLY A 263
GLY A 265
ALA A 256
ALA A 257
TRP A 402
 None
 1.01A 3p2kA-5b3jA:
undetectable		 3p2kA-5b3jA:
20.57
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.
5bp1 MYCOCEROSIC ACID
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 204
ALA A  15
LEU A 182
THR A 249
LEU A 248
 None
 1.03A 3p2kA-5bp1A:
undetectable		 3p2kA-5bp1A:
13.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bw4 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Catenulispora
acidiphila) 		no annotation 6 GLY A  38
GLY A  40
PRO A  62
ALA A  92
LEU A 110
LEU A 116
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.5A)
SAM  A 301 ( 4.3A)
SAM  A 301 (-4.7A)
SAM  A 301 (-4.0A)
 0.46A 3p2kA-5bw4A:
25.5		 3p2kA-5bw4A:
26.59
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.
5d6b FUMARATE HYDRATASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 GLY A 276
GLY A 282
ASN A 284
ALA A 308
LEU A 315
 None
 0.90A 3p2kA-5d6bA:
undetectable		 3p2kA-5d6bA:
18.76
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.
5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL

(Homo sapiens) 		PF03630
(Fumble) 		5 GLY A 415
ALA A 490
ALA A 438
LEU A 524
LEU A 435
 ADP  A 601 (-3.5A)
None
None
None
None
 0.80A 3p2kA-5e26A:
2.3		 3p2kA-5e26A:
21.83
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.
5eqd UDP-GALACTOPYRANOSE
MUTASE

(Mycolicibacterium
smegmatis) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A  25
GLY A  23
ALA A  56
THR A 214
LEU A 217
 FAD  A 501 (-3.3A)
FAD  A 501 (-3.1A)
FAD  A 501 ( 4.4A)
None
None
 1.00A 3p2kA-5eqdA:
3.2		 3p2kA-5eqdA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw9 GRANULOCYTE
COLONY-STIMULATING
FACTOR

(Homo sapiens) 		PF16647
(GCSF) 		5 GLY A 151
ALA A  31
LEU A  89
THR A 106
LEU A 107
 None
 1.00A 3p2kA-5gw9A:
undetectable		 3p2kA-5gw9A:
25.57
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.
5i5l BACTERIOPHYTOCHROME
PROTEIN

(Agrobacterium
fabrum) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 GLY A 341
GLY A 344
ALA A 334
ALA A 333
LEU A 352
 None
 0.98A 3p2kA-5i5lA:
undetectable		 3p2kA-5i5lA:
20.24
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 GLY B1142
ALA A 506
ALA A 457
LEU B1147
LEU A 501
 None
 0.95A 3p2kA-5ip9B:
undetectable		 3p2kA-5ip9B:
10.72
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.
5j62 PUTATIVE REDUCTASE

(Clostridioides
difficile) 		PF00881
(Nitroreductase) 		5 GLY A 194
ALA A 124
ALA A 121
THR A  35
LEU A  36
 None
 1.06A 3p2kA-5j62A:
undetectable		 3p2kA-5j62A:
24.03
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.
5l39 RMM MICROCOMPARTMENT
SHELL PROTEIN
MSM0275

(Mycolicibacterium
smegmatis) 		PF00936
(BMC) 		5 GLY A  63
GLY A  27
PRO A  30
ALA A  36
LEU A  65
 None
 0.94A 3p2kA-5l39A:
undetectable		 3p2kA-5l39A:
23.41
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.
5leb DDD_D12_06_D12_06_D1
2

(synthetic
construct) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 PRO A 354
ALA A 326
ALA A 325
LEU A 317
LEU A 337
 None
 1.05A 3p2kA-5lebA:
undetectable		 3p2kA-5lebA:
18.24
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.
5n3u PHYCOCYANOBILIN
LYASE SUBUNIT BETA

(Nostoc sp. PCC
7120) 		no annotation 5 GLY B 119
ALA B 114
ALA B 115
THR B 141
LEU B 142
 None
 0.94A 3p2kA-5n3uB:
undetectable		 3p2kA-5n3uB:
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 6 GLY A  27
GLY A 101
ALA A 289
ALA A  25
LEU A 233
TRP A 232
 FAD  A 601 ( 4.8A)
None
FAD  A 601 (-3.6A)
None
None
None
 1.40A 3p2kA-5nitA:
4.3		 3p2kA-5nitA:
18.59
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.
5suh MSM0271 PROTEIN

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A  75
GLY A  38
PRO A  41
ALA A  47
LEU A  77
 None
 0.90A 3p2kA-5suhA:
undetectable		 3p2kA-5suhA:
20.83
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.
5tii 3-OXOACYL-ACP
REDUCTASE

(uncultured
bacterium) 		PF13561
(adh_short_C2) 		5 GLY A  17
ALA A 226
LEU A  13
PHE A  37
LEU A  29
 None
 1.06A 3p2kA-5tiiA:
5.9		 3p2kA-5tiiA:
21.63
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 6 GLY A 135
GLY A 133
ASN A 194
ALA A 165
LEU A 137
THR A 174
 None
SAH  A 414 (-2.8A)
TRS  A 415 ( 2.3A)
None
SAH  A 414 ( 3.7A)
IOD  A 405 ( 4.3A)
 1.42A 3p2kA-5u4tA:
7.4		 3p2kA-5u4tA:
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.
5xde THERMOPHILIC
DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME C

(Paenibacillus
sp. A11-2) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 GLY A  92
ASN A  97
ALA A  78
ALA A  81
LEU A 258
 None
 1.05A 3p2kA-5xdeA:
undetectable		 3p2kA-5xdeA:
19.26
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii;
Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 GLY B1142
ALA A 507
ALA A 458
LEU B1147
LEU A 502
 None
 0.91A 3p2kA-5xogB:
undetectable		 3p2kA-5xogB:
10.71
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.
5zb3 -

(-) 		no annotation 5 GLY A 278
GLY A 441
ALA A 274
LEU A 328
LEU A 282
 None
 1.07A 3p2kA-5zb3A:
undetectable		 3p2kA-5zb3A:
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.
6avy ACYL-PROTEIN
THIOESTERASE 2

(Zea mays) 		no annotation 5 GLY A 128
ALA A 136
LEU A 160
TRP A 163
LEU A 133
 None
 1.00A 3p2kA-6avyA:
2.3		 3p2kA-6avyA:
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.
6bld CYTOCHROME P450
268A2 CYP268A2

(Mycobacterium
marinum) 		no annotation 5 ALA A 186
ALA A 183
LEU A 257
PHE A 253
LEU A 212
 None
 0.94A 3p2kA-6bldA:
undetectable		 3p2kA-6bldA:
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 5 GLY A  87
ALA A 126
ALA A 113
PHE A 866
THR A 116
 HTL  A1204 ( 4.6A)
None
None
HTL  A1204 (-4.2A)
None
 0.98A 3p2kA-6cipA:
undetectable		 3p2kA-6cipA:
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.
6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE

(Mycobacterium
tuberculosis) 		no annotation 5 GLY C 197
GLY C 195
ALA C 139
LEU C 154
LEU C 201
 None
 1.05A 3p2kA-6eicC:
undetectable		 3p2kA-6eicC:
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.
6gk6 -

(-) 		no annotation 5 GLY A 255
ALA A 367
ALA A 364
THR A 248
LEU A 251
 None
None
None
HEM  A 501 (-4.4A)
HEM  A 501 (-3.5A)
 1.03A 3p2kA-6gk6A:
undetectable		 3p2kA-6gk6A:
undetectable