SIMILAR PATTERNS OF AMINO ACIDS FOR 4YMG_A_SAMA1001_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.
1a40 PHOSPHATE-BINDING
PERIPLASMIC PROTEIN
PRECURSOR

(Escherichia
coli) 		PF12849
(PBP_like_2) 		5 GLY A  77
TYR A 196
TYR A 198
ALA A 228
ALA A 294
 None
 1.10A 4ymgA-1a40A:
0.1		 4ymgA-1a40A:
23.72
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.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 TYR A 664
SER A 689
ALA A 561
ASN A 469
TYR A 518
 None
 1.42A 4ymgA-1bf2A:
0.0		 4ymgA-1bf2A:
15.50
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.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanopyrus
kandleri;
Methanopyrus
kandleri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 GLY B 355
TYR A 449
SER B 329
ALA B 390
ASN B 336
 None
 1.37A 4ymgA-1e6vB:
0.0		 4ymgA-1e6vB:
19.59
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.
1i2d ATP SULFURYLASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 LYS A 231
GLY A 268
TYR A 146
ALA A 312
ALA A 295
 None
None
None
None
ADX  A 574 (-4.5A)
 1.15A 4ymgA-1i2dA:
2.7		 4ymgA-1i2dA:
18.54
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.
1iok CHAPERONIN 60

(Paracoccus
denitrificans) 		PF00118
(Cpn60_TCP1) 		5 TYR A 199
TYR A 203
SER A 324
ALA A 218
ALA A 274
 None
 1.34A 4ymgA-1iokA:
0.0		 4ymgA-1iokA:
19.12
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.
1j33 COBT

(Thermus
thermophilus) 		PF02277
(DBI_PRT) 		5 GLY A  47
ALA A 150
GLU A 153
ALA A  95
TYR A  97
 None
 1.32A 4ymgA-1j33A:
1.3		 4ymgA-1j33A:
23.67
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.
1na3 DESIGNED PROTEIN
CTPR2

(unidentified) 		PF13432
(TPR_16) 		5 LYS A  16
GLY A  11
TYR A  15
GLU A   5
ASN A   9
 None
 1.45A 4ymgA-1na3A:
undetectable		 4ymgA-1na3A:
14.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 GLY A  87
TYR A  89
TYR A  92
ALA A 140
ALA A 164
TYR A 172
 SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
None
 0.52A 4ymgA-1susA:
26.2		 4ymgA-1susA:
31.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 GLY A 441
TYR A 430
SER A 454
ALA A 460
ALA A 486
 None
 1.40A 4ymgA-1w6jA:
0.0		 4ymgA-1w6jA:
17.47
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.
1zy8 DIHYDROLIPOYL
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 417
SER A 441
ALA A 432
GLU A 431
ALA A 418
 None
 1.41A 4ymgA-1zy8A:
undetectable		 4ymgA-1zy8A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		6 MET A  85
GLY A 110
TYR A 115
ALA A 163
ALA A 186
TYR A 194
 SAM  A 501 (-4.6A)
SAM  A 501 (-3.4A)
None
SAM  A 501 (-3.5A)
SAM  A 501 (-3.7A)
None
 0.59A 4ymgA-2avdA:
24.7		 4ymgA-2avdA:
27.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b0t NADP ISOCITRATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF03971
(IDH) 		5 GLY A  44
TYR A 103
ALA A  63
GLU A  66
ALA A  48
 None
 1.31A 4ymgA-2b0tA:
undetectable		 4ymgA-2b0tA:
14.59
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.
2eyn ALPHA-ACTININ 1

(Homo sapiens) 		PF00307
(CH) 		5 GLY A 176
SER A 172
ALA A 181
ASN A 163
TYR A 193
 None
 1.20A 4ymgA-2eynA:
undetectable		 4ymgA-2eynA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fa0 HMG-COA SYNTHASE

(Brassica juncea) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 GLY A 161
TYR A  13
SER A 248
ALA A 149
TYR A 151
 None
None
None
None
HMG  A 500 (-4.1A)
 1.37A 4ymgA-2fa0A:
undetectable		 4ymgA-2fa0A:
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.
2gry KINESIN-LIKE PROTEIN
KIF2

(Homo sapiens) 		PF00225
(Kinesin) 		5 TYR A 285
SER A 427
ALA A 315
ALA A 267
TYR A 263
 None
 1.39A 4ymgA-2gryA:
undetectable		 4ymgA-2gryA:
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.
2hi1 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 2

(Salmonella
enterica) 		PF04166
(PdxA) 		5 GLY A  97
TYR A 101
ALA A  14
ALA A 128
ASN A 125
 None
 1.26A 4ymgA-2hi1A:
undetectable		 4ymgA-2hi1A:
21.79
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.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE

(Leptospira
interrogans) 		PF01596
(Methyltransf_3) 		6 GLY A  68
TYR A  73
SER A  94
ALA A 121
ALA A 155
TYR A 163
 SAH  A2001 (-3.3A)
None
None
SAH  A2001 (-3.3A)
SAH  A2001 ( 3.8A)
None
 0.66A 4ymgA-2hnkA:
24.8		 4ymgA-2hnkA:
28.14
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.
2jrm RIBOSOME MODULATION
FACTOR

(Vibrio
parahaemolyticus) 		PF04957
(RMF) 		5 GLY A  42
TYR A  39
SER A  14
ALA A  47
GLU A  50
 None
 1.34A 4ymgA-2jrmA:
undetectable		 4ymgA-2jrmA:
12.45
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.
2lm3 TRIPARTITE
MOTIF-CONTAINING
PROTEIN 5

(Macaca mulatta) 		PF00622
(SPRY) 		5 GLY A 378
TYR A 364
GLU A 392
ASN A 482
TYR A 397
 None
 1.49A 4ymgA-2lm3A:
undetectable		 4ymgA-2lm3A:
20.33
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.
2ooe CLEAVAGE STIMULATION
FACTOR 77 KDA
SUBUNIT

(Mus musculus) 		PF05843
(Suf) 		5 GLY A 175
TYR A 172
TYR A 146
TYR A 213
ALA A 216
 None
 1.37A 4ymgA-2ooeA:
undetectable		 4ymgA-2ooeA:
18.11
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.
2p2v ALPHA-2,3-SIALYLTRAN
SFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		5 TYR A 121
ALA A 210
GLU A 209
ASN A 137
TYR A 206
 None
 1.27A 4ymgA-2p2vA:
undetectable		 4ymgA-2p2vA:
21.26
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.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 GLY A 534
TYR A 516
TYR A 525
ALA A 535
ASN A 628
 None
X05  A1900 (-3.5A)
None
None
None
 1.16A 4ymgA-2x05A:
undetectable		 4ymgA-2x05A:
12.65
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		5 GLY A  75
TYR A  79
TYR A  81
SER A 165
ALA A  72
 None
 1.29A 4ymgA-2xfgA:
undetectable		 4ymgA-2xfgA:
20.91
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 GLY A  78
TYR A  83
ALA A 131
ALA A 155
TYR A 163
 SAH  A 464 (-3.7A)
None
SAH  A 464 (-3.5A)
SAH  A 464 (-3.7A)
None
 0.53A 4ymgA-3c3yA:
25.9		 4ymgA-3c3yA:
28.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		5 GLY A  68
TYR A  73
ALA A 121
ALA A 144
TYR A 152
 SAH  A 301 (-3.7A)
None
SAH  A 301 (-3.4A)
SAH  A 301 (-3.4A)
None
 0.37A 4ymgA-3cbgA:
25.5		 4ymgA-3cbgA:
28.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ce9 GLYCEROL
DEHYDROGENASE

(Clostridium
acetobutylicum) 		PF13685
(Fe-ADH_2) 		5 GLY A 247
TYR A 326
SER A 242
ALA A 178
ASN A 175
 None
 1.44A 4ymgA-3ce9A:
undetectable		 4ymgA-3ce9A:
21.97
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.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		5 GLY A  66
TYR A  71
ALA A 119
ALA A 141
ASN A 145
 None
 1.09A 4ymgA-3dulA:
21.0		 4ymgA-3dulA:
29.25
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.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		5 GLY A  66
TYR A  71
ALA A 119
ALA A 141
TYR A 149
 None
 0.91A 4ymgA-3dulA:
21.0		 4ymgA-3dulA:
29.25
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.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		5 GLY A  66
TYR A  71
SER A  92
ALA A 119
TYR A 149
 None
 0.58A 4ymgA-3dulA:
21.0		 4ymgA-3dulA:
29.25
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.
3edl KINESIN13 MOTOR
DOMAIN

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		5 TYR D 161
SER D 303
ALA D 191
ALA D 143
TYR D 139
 None
 1.36A 4ymgA-3edlD:
undetectable		 4ymgA-3edlD:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gb0 PEPTIDASE T

(Bacillus cereus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 111
TYR A 341
SER A 165
ALA A 106
GLU A 349
 None
 1.44A 4ymgA-3gb0A:
undetectable		 4ymgA-3gb0A:
22.50
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.
3j2u KINESIN-LIKE PROTEIN
KLP10A

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		5 TYR K 367
SER K 511
ALA K 397
ALA K 349
TYR K 345
 None
 1.40A 4ymgA-3j2uK:
undetectable		 4ymgA-3j2uK:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3miz PUTATIVE
TRANSCRIPTIONAL
REGULATOR PROTEIN,
LACI FAMILY

(Rhizobium etli) 		PF13377
(Peripla_BP_3) 		5 GLY A 250
TYR A 259
SER A 216
ALA A 192
GLU A 193
 None
 1.28A 4ymgA-3mizA:
undetectable		 4ymgA-3mizA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfh EPIDERMIN LEADER
PEPTIDE PROCESSING
SERINE PROTEASE EPIP

(Staphylococcus
aureus) 		PF00082
(Peptidase_S8) 		5 GLY A 327
SER A 393
ALA A 318
ASN A 340
TYR A 345
 None
 1.19A 4ymgA-3qfhA:
undetectable		 4ymgA-3qfhA:
20.18
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.
3rcy MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A 336
ALA A 283
GLU A 260
ALA A 313
TYR A  41
 None
None
MG  A 500 (-2.6A)
None
None
 1.39A 4ymgA-3rcyA:
undetectable		 4ymgA-3rcyA:
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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 TYR C1254
ALA C1258
ALA C1252
ASN C1249
TYR C1152
 None
 1.41A 4ymgA-3sr6C:
undetectable		 4ymgA-3sr6C:
16.18
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.
3tfw PUTATIVE
O-METHYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF01596
(Methyltransf_3) 		5 GLY A  69
TYR A  74
ALA A 122
ALA A 142
TYR A 150
 None
 0.54A 4ymgA-3tfwA:
25.1		 4ymgA-3tfwA:
27.63
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.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		5 GLY A  69
TYR A  74
ALA A 122
ALA A 145
TYR A 153
 SAH  A 224 (-3.9A)
None
SAH  A 224 (-3.8A)
SAH  A 224 (-3.5A)
None
 0.35A 4ymgA-3tr6A:
26.4		 4ymgA-3tr6A:
27.87
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.
3tu6 PSEUDOAZURIN (BLUE
COPPER PROTEIN)

(Sinorhizobium
meliloti) 		PF00127
(Copper-bind) 		5 GLY A  90
TYR A  76
SER A 112
ALA A  19
ALA A  23
 None
 1.29A 4ymgA-3tu6A:
undetectable		 4ymgA-3tu6A:
20.17
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.
3uv9 TRIPARTITE
MOTIF-CONTAINING
PROTEIN 5

(Macaca mulatta) 		PF00622
(SPRY) 		5 GLY A 378
TYR A 364
GLU A 392
ASN A 482
TYR A 397
 None
 1.48A 4ymgA-3uv9A:
undetectable		 4ymgA-3uv9A:
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.
4d1e ALPHA-ACTININ-2

(Homo sapiens) 		PF00307
(CH)
PF00435
(Spectrin)
PF08726
(EFhand_Ca_insen) 		5 GLY A 183
SER A 179
ALA A 188
ASN A 170
TYR A 200
 MLZ  A 181 ( 4.3A)
None
None
None
None
 1.22A 4ymgA-4d1eA:
undetectable		 4ymgA-4d1eA:
16.46
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.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		5 TYR A 198
TYR A 136
SER A 220
ALA A 226
ALA A 191
 None
 1.49A 4ymgA-4f7aA:
undetectable		 4ymgA-4f7aA:
18.29
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.
4gf8 PEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Vibrio cholerae) 		PF00496
(SBP_bac_5) 		5 GLY A 412
TYR A 409
ALA A 413
ASN A  46
TYR A 132
 None
 1.35A 4ymgA-4gf8A:
undetectable		 4ymgA-4gf8A:
19.76
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.
4iil MEMBRANE LIPOPROTEIN
TPN38(B)

(Treponema
pallidum) 		PF02608
(Bmp) 		5 GLY A 245
TYR A 240
SER A 233
ALA A 225
ALA A 243
 None
 1.45A 4ymgA-4iilA:
undetectable		 4ymgA-4iilA:
22.31
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 GLY B 217
TYR B 211
ALA B 145
ALA B 220
TYR B 224
 None
 1.30A 4ymgA-4l37B:
undetectable		 4ymgA-4l37B:
15.33
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.
4lfn GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
B

(Lactobacillus
rhamnosus) 		PF02502
(LacAB_rpiB) 		5 GLY B 105
TYR B  42
TYR B 123
ALA B  92
ALA B  84
 None
RBL  B 201 (-4.1A)
None
None
None
 1.27A 4ymgA-4lfnB:
undetectable		 4ymgA-4lfnB:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nfu EDS1
SENESCENCE-ASSOCIATE
D CARBOXYLESTERASE
101

(Arabidopsis
thaliana;
Arabidopsis
thaliana) 		PF01764
(Lipase_3)
PF01764
(Lipase_3) 		5 LYS B 301
MET B 300
GLY A 430
ALA A 429
TYR A 461
 None
 1.08A 4ymgA-4nfuB:
undetectable		 4ymgA-4nfuB:
17.56
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.
4o0e ISOASPARTYL
PEPTIDASE/L-ASPARAGI
NASE

(Homo sapiens) 		PF01112
(Asparaginase_2) 		5 MET A 193
GLY A 188
SER A  93
ALA A  63
GLU A  56
 None
 1.41A 4ymgA-4o0eA:
undetectable		 4ymgA-4o0eA:
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 GLY A  64
ALA A 117
ALA A 137
ASN A 138
TYR A 145
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-3.4A)
None
 0.28A 4ymgA-4pclA:
25.8		 4ymgA-4pclA:
24.02
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 GLY A  64
ALA A 117
GLU A 116
ALA A 137
ASN A 138
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.9A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-3.4A)
 1.11A 4ymgA-4pclA:
25.8		 4ymgA-4pclA:
24.02
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.
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 GLY A 463
TYR A 461
TYR A 419
SER A 457
GLU A 474
 None
None
None
SO4  A 610 (-4.6A)
None
 1.45A 4ymgA-4pfwA:
undetectable		 4ymgA-4pfwA:
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.
4uri CHITINASE-RELATED
AGGLUTININ

(Robinia
pseudoacacia) 		PF00704
(Glyco_hydro_18) 		5 GLY A 170
TYR A 168
TYR A 167
ALA A 172
ASN A 176
 None
 1.29A 4ymgA-4uriA:
undetectable		 4ymgA-4uriA:
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.
4y05 KINESIN-LIKE PROTEIN
KIF2C

(Homo sapiens) 		PF00225
(Kinesin) 		5 TYR A 347
SER A 489
ALA A 377
ALA A 329
TYR A 325
 None
 1.37A 4ymgA-4y05A:
undetectable		 4ymgA-4y05A:
20.05
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.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		5 MET A  83
GLY A 166
SER A 163
ALA A 160
ALA A 168
 None
None
TYL  A 502 (-3.4A)
None
None
 1.08A 4ymgA-4yjiA:
undetectable		 4ymgA-4yjiA:
21.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		12 LYS A  47
MET A  48
GLY A  73
TYR A  75
TYR A  78
TYR A  99
SER A 100
ALA A 127
GLU A 128
ALA A 145
ASN A 146
TYR A 153
 PO4  A1003 ( 2.7A)
SAM  A1001 (-4.8A)
SAM  A1001 (-3.3A)
SAM  A1001 (-4.8A)
None
SAM  A1001 (-3.5A)
SAM  A1001 ( 4.8A)
SAM  A1001 (-3.4A)
SAM  A1001 (-3.3A)
SAM  A1001 ( 3.5A)
SAM  A1001 ( 3.5A)
None
 0.00A 4ymgA-4ymgA:
41.3		 4ymgA-4ymgA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zk6 QUINOLINATE SYNTHASE
A

(Pyrococcus
horikoshii) 		PF02445
(NadA) 		5 GLY A  57
TYR A  23
SER A  38
ALA A  62
GLU A  63
 None
SF4  A 401 (-4.8A)
NTM  A 402 ( 2.5A)
None
None
 1.28A 4ymgA-4zk6A:
undetectable		 4ymgA-4zk6A:
22.15
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.
5a4b HUMAN
ALPHA-ACTININ-2

(Homo sapiens) 		PF00307
(CH) 		5 GLY A 183
SER A 179
ALA A 188
ASN A 170
TYR A 200
 None
 1.14A 4ymgA-5a4bA:
undetectable		 4ymgA-5a4bA:
23.16
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA
METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA

(Methanothermobacter
marburgensis;
Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 GLY B 354
TYR A 448
SER B 329
ALA B 389
ASN B 335
 SMC  A 454 ( 3.8A)
DYA  A 452 ( 4.5A)
None
None
None
 1.28A 4ymgA-5a8rB:
undetectable		 4ymgA-5a8rB:
20.54
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.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N)
PF17147
(PFOR_II) 		5 LYS A 361
GLY A 578
ALA A 590
ALA A 576
TYR A 593
 None
 1.14A 4ymgA-5b47A:
undetectable		 4ymgA-5b47A:
16.98
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 GLY A 297
TYR A  42
SER A  34
ALA A 304
GLU A 320
 None
GOL  A 502 (-4.6A)
None
None
None
 1.47A 4ymgA-5bwiA:
undetectable		 4ymgA-5bwiA:
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.
5c7o GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
TESTIS-SPECIFIC

(Homo sapiens) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 GLY O 125
TYR O 120
TYR O 127
GLU O  96
TYR O 390
 None
 1.43A 4ymgA-5c7oO:
undetectable		 4ymgA-5c7oO:
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.
5dfa BETA-GALACTOSIDASE

(Geobacillus
stearothermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 GLY A 597
TYR A 556
TYR A 576
ALA A 581
ASN A 542
 None
 1.41A 4ymgA-5dfaA:
undetectable		 4ymgA-5dfaA:
16.47
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.
5dzv PROTEIN PCDHA7

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		5 GLY A 303
SER A 216
ALA A 237
ALA A 293
TYR A 250
 None
 1.45A 4ymgA-5dzvA:
undetectable		 4ymgA-5dzvA:
18.18
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		5 GLY A 470
TYR A 474
SER A 490
ASN A 379
TYR A 676
 None
 1.44A 4ymgA-5h42A:
undetectable		 4ymgA-5h42A:
13.06
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		6 GLY A 101
TYR A 103
TYR A 106
ALA A 154
ALA A 178
TYR A 186
 SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
None
 0.71A 4ymgA-5kvaA:
26.7		 4ymgA-5kvaA:
29.15
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.
5l2r FUMARATE HYDRATASE

(Leishmania
major) 		PF05681
(Fumerase)
PF05683
(Fumerase_C) 		5 GLY A 465
TYR A 449
SER A 524
ALA A 517
ASN A 121
 None
 1.42A 4ymgA-5l2rA:
undetectable		 4ymgA-5l2rA:
18.05
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.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		6 GLY A  67
TYR A  72
SER A  93
ALA A 120
ALA A 143
TYR A 151
 SAH  A1001 (-3.5A)
None
None
SAH  A1001 (-3.4A)
SAH  A1001 (-3.7A)
None
 0.66A 4ymgA-5logA:
26.4		 4ymgA-5logA:
29.53
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.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA
METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(Methanotorris
formicicus;
Methanotorris
formicicus) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 GLY B 355
TYR A 448
SER B 330
ALA B 390
ASN B 336
 None
 1.25A 4ymgA-5n28B:
undetectable		 4ymgA-5n28B:
21.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		6 GLY A  65
TYR A  70
ALA A 118
ALA A 140
ASN A 141
TYR A 148
 SAM  A 306 (-3.2A)
None
SAM  A 306 (-3.5A)
SAM  A 306 (-3.6A)
SAM  A 306 ( 2.9A)
None
 0.36A 4ymgA-5n5dA:
24.8		 4ymgA-5n5dA:
30.36
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.
5nd4 TUBULIN ALPHA CHAIN

(Bos taurus) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 GLY A 142
TYR A 185
SER A 170
ALA A  12
ASN A 206
 None
None
None
GTP  A 500 (-3.3A)
GTP  A 500 (-3.5A)
 1.41A 4ymgA-5nd4A:
4.2		 4ymgA-5nd4A:
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.
5nkp KELCH-LIKE PROTEIN 3

(Homo sapiens) 		PF01344
(Kelch_1) 		5 GLY A 579
TYR A 540
TYR A 577
SER A 576
ALA A 340
 None
 1.43A 4ymgA-5nkpA:
undetectable		 4ymgA-5nkpA:
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.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 GLY A 302
TYR A 211
SER A 280
ALA A 303
TYR A 378
 3UK  A 900 (-3.4A)
3UK  A 900 (-4.0A)
PEG  A 901 (-3.8A)
3UK  A 900 (-3.4A)
None
 1.36A 4ymgA-5oe5A:
undetectable		 4ymgA-5oe5A:
21.97
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.
5suo EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF12010
(DUF3502) 		5 TYR A  46
TYR A  78
SER A 326
ALA A 149
ALA A 103
 None
 1.44A 4ymgA-5suoA:
undetectable		 4ymgA-5suoA:
20.13
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.
5vae ACCESSORY SEC SYSTEM
PROTEIN ASP1

(Streptococcus
gordonii) 		no annotation 5 TYR A 462
TYR A 442
TYR A 498
ALA A 495
TYR A 485
 None
 1.50A 4ymgA-5vaeA:
undetectable		 4ymgA-5vaeA:
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.
5vsj ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE
1

(Streptomyces
coelicolor) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		5 GLY A 509
SER A 505
ALA A 498
ALA A 476
TYR A 514
 None
 1.48A 4ymgA-5vsjA:
undetectable		 4ymgA-5vsjA:
17.88
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.
5wsl KERATINASE

(Meiothermus
taiwanensis) 		no annotation 5 GLY A  78
TYR A  85
SER A  47
ALA A  53
ALA A  77
 None
 1.44A 4ymgA-5wslA:
undetectable		 4ymgA-5wslA:
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.
5xe0 GENOME POLYPROTEIN

(Enterovirus D) 		PF00680
(RdRP_1) 		5 GLY A 232
TYR A 230
GLU A 173
ALA A 235
TYR A  58
 GTP  A 501 (-3.6A)
None
None
None
None
 1.27A 4ymgA-5xe0A:
undetectable		 4ymgA-5xe0A:
20.34
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.
6ehi NUCLEASE NUCT

(Helicobacter
pylori) 		no annotation 5 TYR A  60
TYR A  96
TYR A  58
ALA A  31
TYR A 146
 None
 1.28A 4ymgA-6ehiA:
2.6		 4ymgA-6ehiA:
undetectable