SIMILAR PATTERNS OF AMINO ACIDS FOR 4YMG_B_SAMB1001_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.
1cwu ENOYL ACP REDUCTASE

(Brassica napus) 		PF13561
(adh_short_C2) 		5 GLY A 234
TYR A 253
SER A 254
ASP A 292
ALA A 233
 None
None
None
None
NAD  A 501 (-3.6A)
 1.19A 4ymgB-1cwuA:
9.0		 4ymgB-1cwuA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cwu ENOYL ACP REDUCTASE

(Brassica napus) 		PF13561
(adh_short_C2) 		5 GLY A 234
TYR A 253
SER A 254
SER A 238
ALA A 233
 None
None
None
NAD  A 501 (-2.5A)
NAD  A 501 (-3.6A)
 1.21A 4ymgB-1cwuA:
9.0		 4ymgB-1cwuA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		5 GLY A 208
TYR A 209
SER A   1
ASP A 124
ASN A  77
 None
 1.32A 4ymgB-1e4oA:
2.6		 4ymgB-1e4oA:
15.04
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.
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
 1.35A 4ymgB-1e6vB:
undetectable		 4ymgB-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.
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
 1.39A 4ymgB-1iokA:
undetectable		 4ymgB-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.
1nhw ENOYL-ACYL CARRIER
REDUCTASE
ENOYL-ACYL CARRIER
REDUCTASE

(Plasmodium
falciparum;
Plasmodium
falciparum) 		PF13561
(adh_short_C2)
PF13561
(adh_short_C2) 		5 GLY A 313
TYR C 375
SER C 376
ASP C 414
ALA A 312
 None
None
None
None
NAD  A 450 (-3.7A)
 1.14A 4ymgB-1nhwA:
5.8		 4ymgB-1nhwA:
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.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		5 GLY A  65
TYR A  89
SER A  90
ALA A 114
ASP A 133
 SAM  A 301 ( 3.8A)
SAM  A 301 (-3.5A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
 0.50A 4ymgB-1nt2A:
12.7		 4ymgB-1nt2A:
25.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sbz PROBABLE AROMATIC
ACID DECARBOXYLASE

(Escherichia
coli) 		PF02441
(Flavoprotein) 		5 GLY A 101
SER A  72
ALA A 107
ASP A 100
ALA A  99
 None
 1.18A 4ymgB-1sbzA:
undetectable		 4ymgB-1sbzA:
20.56
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 GLY A  84
TYR A  95
ALA A  82
ASP A  89
ALA A  92
 None
 1.37A 4ymgB-1sqjA:
undetectable		 4ymgB-1sqjA:
15.44
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) 		8 GLY A  87
TYR A  89
TYR A  92
SER A  93
ALA A 140
ASP A 163
ALA A 164
TYR A 172
 SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-2.7A)
SAH  A 301 (-3.9A)
CA  A 305 (-2.5A)
SAH  A 301 ( 3.7A)
None
 0.64A 4ymgB-1susA:
24.9		 4ymgB-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.
1tvz 3-HYDROXY-3-METHYLGL
UTARYL-COA SYNTHASE

(Staphylococcus
aureus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 GLY A 306
SER A 208
SER A 280
ALA A 113
ALA A 110
 None
 1.34A 4ymgB-1tvzA:
undetectable		 4ymgB-1tvzA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		5 TYR A 364
SER A 365
SER A 202
ALA A 174
ASN A 182
 None
None
PGO  A2602 ( 4.6A)
None
None
 1.29A 4ymgB-1uc4A:
undetectable		 4ymgB-1uc4A:
18.73
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.
1v02 DHURRINASE

(Sorghum bicolor) 		PF00232
(Glyco_hydro_1) 		5 TYR A  81
TYR A  38
ASP A  76
ALA A  74
TYR A 465
 None
 1.27A 4ymgB-1v02A:
undetectable		 4ymgB-1v02A:
18.41
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.
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
 1.36A 4ymgB-1w6jA:
undetectable		 4ymgB-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.
1z45 GAL10 BIFUNCTIONAL
PROTEIN

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim)
PF16363
(GDP_Man_Dehyd) 		5 GLY A 667
TYR A 644
SER A 639
ALA A 672
TYR A 430
 None
 1.37A 4ymgB-1z45A:
7.6		 4ymgB-1z45A:
16.02
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.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		8 MET A  85
GLY A 110
TYR A 115
SER A 116
ALA A 163
ASP A 185
ALA A 186
TYR A 194
 SAM  A 501 (-4.6A)
SAM  A 501 (-3.4A)
None
SAM  A 501 (-3.0A)
SAM  A 501 (-3.5A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.7A)
None
 0.63A 4ymgB-2avdA:
24.3		 4ymgB-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.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		5 GLY A  89
TYR A  91
SER A  95
ASP A 160
ALA A 161
 SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.0A)
MG  A 300 ( 3.6A)
SAM  A 301 (-3.6A)
 0.77A 4ymgB-2br4A:
13.4		 4ymgB-2br4A:
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.
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 4ymgB-2eynA:
undetectable		 4ymgB-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)
 1.36A 4ymgB-2fa0A:
undetectable		 4ymgB-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
 1.38A 4ymgB-2gryA:
undetectable		 4ymgB-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.
2hih LIPASE 46 KDA FORM

(Staphylococcus
hyicus) 		no annotation 5 GLY A 179
SER A 183
SER A 322
ALA A 254
ASN A 258
 None
 1.38A 4ymgB-2hihA:
undetectable		 4ymgB-2hihA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE

(Leptospira
interrogans) 		PF01596
(Methyltransf_3) 		8 GLY A  68
TYR A  73
SER A  74
SER A  94
ALA A 121
ASP A 154
ALA A 155
TYR A 163
 SAH  A2001 (-3.3A)
None
SAH  A2001 (-2.9A)
None
SAH  A2001 (-3.3A)
SAH  A2001 (-3.3A)
SAH  A2001 ( 3.8A)
None
 0.60A 4ymgB-2hnkA:
25.2		 4ymgB-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.
2igt SAM DEPENDENT
METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF10672
(Methyltrans_SAM) 		5 GLY A 141
TYR A 142
SER A 163
ALA A 191
ASP A 211
 None
FMT  A1013 ( 4.7A)
ACY  A1008 ( 2.6A)
SAM  A1001 (-3.6A)
SAM  A1001 (-2.8A)
 1.29A 4ymgB-2igtA:
13.9		 4ymgB-2igtA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2inp PHENOL HYDROXYLASE
COMPONENT PHL

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox) 		5 GLY C 157
TYR C 155
SER C 150
ASP C 159
ASN C 219
 None
 1.22A 4ymgB-2inpC:
undetectable		 4ymgB-2inpC:
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.
2wmh FUCOLECTIN-RELATED
PROTEIN

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		5 GLY A 229
TYR A 160
ASP A 227
ALA A 228
TYR A 365
 None
 1.38A 4ymgB-2wmhA:
undetectable		 4ymgB-2wmhA:
15.86
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.
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
 1.18A 4ymgB-2x05A:
undetectable		 4ymgB-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
 1.30A 4ymgB-2xfgA:
undetectable		 4ymgB-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.
3afg SUBTILISIN-LIKE
SERINE PROTEASE

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		5 TYR A 351
SER A 195
SER A 153
ALA A 185
ALA A 337
 None
 1.36A 4ymgB-3afgA:
2.1		 4ymgB-3afgA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3am3 ENOYL-ACP REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		5 GLY A 313
TYR A 375
SER A 376
ASP A 414
ALA A 312
 NAD  A 801 (-4.8A)
None
None
None
NAD  A 801 (-3.6A)
 1.14A 4ymgB-3am3A:
7.7		 4ymgB-3am3A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3am3 ENOYL-ACP REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		5 TYR A 375
SER A 376
SER A 317
ASP A 414
ALA A 312
 None
None
NAD  A 801 (-2.9A)
None
NAD  A 801 (-3.6A)
 1.37A 4ymgB-3am3A:
7.7		 4ymgB-3am3A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 GLY A  66
TYR A  68
TYR A  71
SER A  72
ASP A 141
 SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
SAM  A 301 (-2.9A)
MG  A 300 (-2.4A)
 0.22A 4ymgB-3bwmA:
20.4		 4ymgB-3bwmA:
26.51
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		7 GLY A  78
TYR A  83
SER A  84
ALA A 131
ASP A 154
ALA A 155
TYR A 163
 SAH  A 464 (-3.7A)
None
SAH  A 464 (-2.8A)
SAH  A 464 (-3.5A)
CA  A 238 ( 2.2A)
SAH  A 464 (-3.7A)
None
 0.53A 4ymgB-3c3yA:
24.7		 4ymgB-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) 		7 GLY A  68
TYR A  73
SER A  74
ALA A 121
ASP A 143
ALA A 144
TYR A 152
 SAH  A 301 (-3.7A)
None
SAH  A 301 (-2.9A)
SAH  A 301 (-3.4A)
MG  A 401 ( 2.7A)
SAH  A 301 (-3.4A)
None
 0.33A 4ymgB-3cbgA:
25.2		 4ymgB-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.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		5 GLY A  66
ALA A 119
ASP A 140
ALA A 141
ASN A 145
 None
 1.18A 4ymgB-3dulA:
21.2		 4ymgB-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) 		6 GLY A  66
TYR A  71
ALA A 119
ASP A 140
ALA A 141
TYR A 149
 None
 0.85A 4ymgB-3dulA:
21.2		 4ymgB-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) 		6 GLY A  66
TYR A  71
SER A  92
ALA A 119
ASP A 140
TYR A 149
 None
 0.56A 4ymgB-3dulA:
21.2		 4ymgB-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 TYR A  71
SER A  72
ASP A 140
ALA A 141
TYR A 149
 None
 1.05A 4ymgB-3dulA:
21.2		 4ymgB-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
 1.35A 4ymgB-3edlD:
undetectable		 4ymgB-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.
3f4b ENOYL-ACYL CARRIER
PROTEIN REDUCTASE

(Plasmodium
berghei) 		PF13561
(adh_short_C2) 		5 GLY A 298
TYR A 339
SER A 340
ASP A 378
ALA A 297
 NAD  A 450 (-4.9A)
None
None
None
NAD  A 450 (-3.6A)
 1.18A 4ymgB-3f4bA:
7.8		 4ymgB-3f4bA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g8z PROTEIN OF UNKNOWN
FUNCTION WITH
CYSTATIN-LIKE FOLD

(Xanthomonas
campestris) 		PF12680
(SnoaL_2) 		5 GLY A 128
SER A  41
SER A  61
ASP A 124
ALA A 125
 None
 1.35A 4ymgB-3g8zA:
undetectable		 4ymgB-3g8zA:
21.90
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.
3il7 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Staphylococcus
aureus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 138
TYR A 117
SER A 118
ALA A  58
ALA A 139
 None
 1.15A 4ymgB-3il7A:
undetectable		 4ymgB-3il7A:
21.98
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.
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
 1.38A 4ymgB-3j2uK:
undetectable		 4ymgB-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.
3lov PROTOPORPHYRINOGEN
OXIDASE

(Exiguobacterium
sibiricum) 		PF01593
(Amino_oxidase) 		5 GLY A 415
TYR A 412
ALA A 185
ASP A 418
ALA A 417
 None
 1.36A 4ymgB-3lovA:
undetectable		 4ymgB-3lovA:
19.36
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.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 GLY B 162
TYR B 170
SER B 167
ALA B  56
ALA B 158
 None
 1.27A 4ymgB-3m2rB:
undetectable		 4ymgB-3m2rB:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m8u HEME-BINDING PROTEIN
A

(Glaesserella
parasuis) 		PF00496
(SBP_bac_5) 		5 GLY A 205
TYR A 182
SER A  52
ASN A  58
TYR A 228
 None
 1.30A 4ymgB-3m8uA:
undetectable		 4ymgB-3m8uA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n6x PUTATIVE
GLUTATHIONYLSPERMIDI
NE SYNTHASE

(Methylobacillus
flagellatus) 		PF14403
(CP_ATPgrasp_2) 		5 GLY A 315
TYR A 126
TYR A 140
ALA A 141
ALA A 317
 None
 1.35A 4ymgB-3n6xA:
undetectable		 4ymgB-3n6xA:
19.09
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.
3p24 BFT-3

(Bacteroides
fragilis) 		PF13583
(Reprolysin_4)
PF16376
(fragilysinNterm) 		5 GLY A 351
SER A 247
TYR A 195
ALA A 356
ASN A 357
 None
 1.18A 4ymgB-3p24A:
undetectable		 4ymgB-3p24A:
21.86
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.
3ptk BETA-GLUCOSIDASE
OS4BGLU12

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 TYR A  71
TYR A  28
ASP A  66
ALA A  64
TYR A 454
 None
None
ZN  A 487 (-2.2A)
None
None
 1.38A 4ymgB-3ptkA:
undetectable		 4ymgB-3ptkA:
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.
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
 1.20A 4ymgB-3qfhA:
undetectable		 4ymgB-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.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		6 GLY A  68
SER A  74
ALA A 121
ASP A 143
ALA A 144
TYR A 152
 None
 0.88A 4ymgB-3r3hA:
23.5		 4ymgB-3r3hA:
28.41
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.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		5 GLY A  68
TYR A  73
SER A  74
ALA A 121
TYR A 152
 None
 0.86A 4ymgB-3r3hA:
23.5		 4ymgB-3r3hA:
28.41
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.
3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16

(Mycolicibacterium
smegmatis) 		PF00722
(Glyco_hydro_16) 		5 GLY A 158
TYR A 157
SER A 244
ALA A 137
TYR A 254
 211  A 280 (-3.5A)
PG4  A 274 ( 4.7A)
PG4  A 273 ( 4.6A)
None
None
 1.06A 4ymgB-3rq0A:
undetectable		 4ymgB-3rq0A:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sr3 MICROCIN IMMUNITY
PROTEIN MCCF

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		5 GLY A  85
TYR A  56
ALA A 134
ASP A 113
ALA A 114
 None
 1.34A 4ymgB-3sr3A:
undetectable		 4ymgB-3sr3A:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tfw PUTATIVE
O-METHYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF01596
(Methyltransf_3) 		5 GLY A  69
ALA A 122
ASP A 141
ALA A 142
TYR A 150
 None
 0.46A 4ymgB-3tfwA:
25.5		 4ymgB-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.
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
 0.52A 4ymgB-3tfwA:
25.5		 4ymgB-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.
3tpa HEME-BINDING PROTEIN
A

(Glaesserella
parasuis) 		PF00496
(SBP_bac_5) 		5 GLY A 188
TYR A 165
SER A  35
ASN A  41
TYR A 211
 None
 1.29A 4ymgB-3tpaA:
undetectable		 4ymgB-3tpaA:
19.43
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.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		7 GLY A  69
TYR A  74
SER A  75
ALA A 122
ASP A 144
ALA A 145
TYR A 153
 SAH  A 224 (-3.9A)
None
SAH  A 224 (-2.8A)
SAH  A 224 (-3.8A)
NI  A 223 ( 2.5A)
SAH  A 224 (-3.5A)
None
 0.42A 4ymgB-3tr6A:
25.7		 4ymgB-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.
3u5u RAUCAFFRICINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 TYR A  78
TYR A  35
ASP A  73
ALA A  71
TYR A 481
 None
 1.27A 4ymgB-3u5uA:
undetectable		 4ymgB-3u5uA:
17.77
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.
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum) 		PF13407
(Peripla_BP_4) 		5 GLY A 139
TYR A 212
SER A 210
ASP A 143
ALA A 146
 None
BDP  A 331 (-3.2A)
None
BDP  A 331 (-2.8A)
None
 1.19A 4ymgB-3uugA:
3.5		 4ymgB-3uugA:
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.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		5 TYR A  87
TYR A  44
ASP A  82
ALA A  80
TYR A 456
 None
 1.31A 4ymgB-3vilA:
undetectable		 4ymgB-3vilA:
18.89
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 GLY A 104
TYR A  67
TYR A 109
ALA A 175
ASP A 193
 SAM  A 501 (-3.6A)
SAM  A 501 (-4.5A)
SAM  A 501 (-4.6A)
SAM  A 501 (-3.8A)
SAM  A 501 (-3.8A)
 1.36A 4ymgB-3vywA:
10.5		 4ymgB-3vywA:
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.
3wq4 BETA-PRIMEVEROSIDASE

(Camellia
sinensis) 		PF00232
(Glyco_hydro_1) 		5 TYR A  95
TYR A  52
ASP A  90
ALA A  88
TYR A 475
 None
 1.36A 4ymgB-3wq4A:
undetectable		 4ymgB-3wq4A:
19.56
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.
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
 1.23A 4ymgB-4d1eA:
undetectable		 4ymgB-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.
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
 1.32A 4ymgB-4gf8A:
undetectable		 4ymgB-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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 422
SER A 499
ALA A 479
ASP A 424
ALA A 425
 None
 1.33A 4ymgB-4iigA:
undetectable		 4ymgB-4iigA:
14.03
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.
4kem MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azospirillum
lipoferum) 		PF13378
(MR_MLE_C) 		5 MET A 169
GLY A 176
TYR A 172
ALA A 357
ASP A 174
 None
 1.38A 4ymgB-4kemA:
undetectable		 4ymgB-4kemA:
23.14
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.
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
 1.27A 4ymgB-4l37B:
undetectable		 4ymgB-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
 1.29A 4ymgB-4lfnB:
undetectable		 4ymgB-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.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		5 GLY A  20
TYR A  27
TYR A  72
ALA A  69
ASP A  21
 None
 1.26A 4ymgB-4m3nA:
undetectable		 4ymgB-4m3nA:
20.76
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.
4nn0 COMPLEMENT C1Q TUMOR
NECROSIS
FACTOR-RELATED
PROTEIN 5

(Homo sapiens) 		PF00386
(C1q) 		5 MET A 196
GLY A 229
TYR A 152
ALA A 108
TYR A 136
 None
 1.31A 4ymgB-4nn0A:
undetectable		 4ymgB-4nn0A:
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.
4o1m ENOYL-ACYL CARRIER
REDUCTASE

(Toxoplasma
gondii) 		PF13561
(adh_short_C2) 		5 GLY A 225
TYR A 250
SER A 251
ASP A 289
ALA A 224
 None
None
None
None
NAD  A 401 (-4.0A)
 1.22A 4ymgB-4o1mA:
6.0		 4ymgB-4o1mA:
22.86
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		7 GLY A  64
SER A  70
ALA A 117
ASP A 136
ALA A 137
ASN A 138
TYR A 145
 SAM  A 301 (-3.4A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.3A)
MN  A 303 ( 2.7A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-3.4A)
None
 0.29A 4ymgB-4pclA:
25.0		 4ymgB-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.
4qlj BETA-GLUCOSIDASE 7

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 TYR A  70
TYR A  28
ASP A  65
ALA A  63
TYR A 445
 None
None
ZN  A1003 (-2.1A)
None
None
 1.39A 4ymgB-4qljA:
undetectable		 4ymgB-4qljA:
21.13
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.
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
 1.30A 4ymgB-4uriA:
undetectable		 4ymgB-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.
4wwh ABC TRANSPORTER

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 GLY A 174
TYR A 247
SER A 245
ASP A 178
ALA A 181
 None
GAL  A 401 ( 3.8A)
None
GAL  A 401 (-2.8A)
None
 1.16A 4ymgB-4wwhA:
undetectable		 4ymgB-4wwhA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xxp PUTATIVE
UNCHARACTERIZED
PROTEIN (RV0315
ORTHOLOG)

(Mycobacterium
avium) 		PF00722
(Glyco_hydro_16) 		5 GLY A 167
TYR A 166
SER A 253
ALA A 146
TYR A 263
 None
 1.08A 4ymgB-4xxpA:
undetectable		 4ymgB-4xxpA:
24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.36A 4ymgB-4y05A:
undetectable		 4ymgB-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.
4y4n PUTATIVE RIBOSE
1,5-BISPHOSPHATE
ISOMERASE

(Methanotorris
igneus) 		PF01946
(Thi4) 		5 GLY A 119
TYR A  47
ALA A  45
ASP A 122
ALA A 123
 None
 1.37A 4ymgB-4y4nA:
2.7		 4ymgB-4y4nA:
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.
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
 1.14A 4ymgB-4yjiA:
undetectable		 4ymgB-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 MET A  48
GLY A  73
TYR A  75
TYR A  78
SER A  79
TYR A  99
SER A 100
ALA A 127
ASP A 144
ALA A 145
ASN A 146
TYR A 153
 SAM  A1001 (-4.8A)
SAM  A1001 (-3.3A)
SAM  A1001 (-4.8A)
None
SAM  A1001 (-2.7A)
SAM  A1001 (-3.5A)
SAM  A1001 ( 4.8A)
SAM  A1001 (-3.4A)
SAM  A1001 (-3.6A)
SAM  A1001 ( 3.5A)
SAM  A1001 ( 3.5A)
None
 0.18A 4ymgB-4ymgA:
39.9		 4ymgB-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.
4yzo PUTATIVE ACYL-COA
ACYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A  77
SER A  41
SER A 229
ALA A 358
ASN A 362
 None
 1.29A 4ymgB-4yzoA:
undetectable		 4ymgB-4yzoA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE

(Geobacillus
stearothermophilus) 		PF00232
(Glyco_hydro_1) 		5 TYR A  64
TYR A  22
ASP A  59
ALA A  57
TYR A 437
 None
None
IMD  A 507 (-3.4A)
None
None
 1.37A 4ymgB-4zfmA:
undetectable		 4ymgB-4zfmA:
19.63
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.
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 4ymgB-5a4bA:
undetectable		 4ymgB-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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 423
SER A 500
ALA A 480
ASP A 425
ALA A 426
 None
 1.39A 4ymgB-5fjjA:
undetectable		 4ymgB-5fjjA:
14.34
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.
5fp2 FERRIC ENTEROBACTIN
RECEPTOR PIRA

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 143
TYR A 414
SER A 444
ASP A 434
ASN A 373
 None
 1.39A 4ymgB-5fp2A:
undetectable		 4ymgB-5fp2A:
15.43
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.
5jif HEMAGGLUTININ-ESTERA
SE

(Murine
coronavirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		5 GLY A  42
SER A 299
ASP A  43
ALA A  76
TYR A  92
 None
 1.25A 4ymgB-5jifA:
undetectable		 4ymgB-5jifA:
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		8 GLY A 101
TYR A 103
TYR A 106
SER A 107
ALA A 154
ASP A 177
ALA A 178
TYR A 186
 SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-2.8A)
SAM  A 301 (-3.7A)
CA  A 302 ( 2.2A)
SAM  A 301 (-3.7A)
None
 0.71A 4ymgB-5kvaA:
25.3		 4ymgB-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.
5l0w SEC72

(Chaetomium
thermophilum) 		no annotation 5 GLY B  93
ALA B 132
ASP B  94
ALA B  95
TYR B  99
 None
 1.37A 4ymgB-5l0wB:
undetectable		 4ymgB-5l0wB:
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.
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
 1.38A 4ymgB-5l2rA:
undetectable		 4ymgB-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) 		8 GLY A  67
TYR A  72
SER A  73
SER A  93
ALA A 120
ASP A 142
ALA A 143
TYR A 151
 SAH  A1001 (-3.5A)
None
SAH  A1001 (-2.7A)
None
SAH  A1001 (-3.4A)
MG  A1002 (-2.5A)
SAH  A1001 (-3.7A)
None
 0.60A 4ymgB-5logA:
26.0		 4ymgB-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.
5mjv CAPSID SUBUNIT VP1
CAPSID SUBUNIT VP3

(Parechovirus A;
Parechovirus A) 		no annotation
no annotation 		5 GLY B 237
TYR A  49
ALA B  76
ASP B 239
ALA B 240
 None
 1.35A 4ymgB-5mjvB:
undetectable		 4ymgB-5mjvB:
21.89
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.
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
 1.19A 4ymgB-5n28B:
undetectable		 4ymgB-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
SER A  72
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
 0.88A 4ymgB-5n5dA:
25.0		 4ymgB-5n5dA:
30.36
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) 		8 GLY A  65
TYR A  70
SER A  71
ALA A 118
ASP A 139
ALA A 140
ASN A 141
TYR A 148
 SAM  A 306 (-3.2A)
None
SAM  A 306 (-2.2A)
SAM  A 306 (-3.5A)
SAM  A 306 (-2.3A)
SAM  A 306 (-3.6A)
SAM  A 306 ( 2.9A)
None
 0.37A 4ymgB-5n5dA:
25.0		 4ymgB-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.
5nxn PORIN 1

(Providencia
stuartii) 		no annotation 5 GLY A  83
TYR A 136
SER A  91
ASP A  93
ALA A  82
 None
 1.38A 4ymgB-5nxnA:
undetectable		 4ymgB-5nxnA:
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.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN

(Burkholderia
ambifaria) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 278
SER A 245
ALA A 198
ASP A 280
ALA A 281
 None
EDO  A 403 (-2.8A)
None
None
None
 1.28A 4ymgB-5tnxA:
6.4		 4ymgB-5tnxA:
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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		6 GLY A  66
SER A  72
ALA A 120
ASP A 138
ALA A 139
TYR A 147
 SAM  A 301 (-3.5A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.5A)
None
 0.45A 4ymgB-5x7fA:
22.1		 4ymgB-5x7fA:
26.42
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.
5xxu RIBOSOMAL PROTEIN
US12
RIBOSOMAL PROTEIN
ES30

(Toxoplasma
gondii;
Toxoplasma
gondii) 		PF00164
(Ribosom_S12_S23)
PF00467
(KOW)
PF00900
(Ribosomal_S4e)
PF01479
(S4)
PF08071
(RS4NT)
PF16121
(40S_S4_C) 		5 TYR X  93
SER X  90
SER e   7
ALA X  65
ASP X  88
 None
None
None
A  2 566 ( 3.1A)
A  2 566 ( 3.0A)
 1.22A 4ymgB-5xxuX:
undetectable		 4ymgB-5xxuX:
21.25
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 6 GLY A  62
TYR A  67
SER A  68
ALA A 114
ASP A 133
ALA A 134
 SAM  A 302 (-3.4A)
None
SAM  A 302 (-2.7A)
SAM  A 302 (-3.7A)
SAM  A 302 (-3.6A)
SAM  A 302 (-3.4A)
 0.39A 4ymgB-5zw4A:
25.8		 4ymgB-5zw4A:
26.69
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.
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 4ymgB-6ehiA:
2.8		 4ymgB-6ehiA:
undetectable