SIMILAR PATTERNS OF AMINO ACIDS FOR 4YMG_B_SAMB1001

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		3 SER A 198
GLU A 532
GLU A 547
 PLP  A 955 (-3.9A)
None
None
 0.77A 4ymgB-1c4kA:
undetectable		 4ymgB-1c4kA:
15.10
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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		3 SER A 488
GLU A 461
GLU A 473
 None
 0.74A 4ymgB-1c7tA:
0.7		 4ymgB-1c7tA:
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.
1eq1 APOLIPOPHORIN-III

(Manduca sexta) 		PF07464
(ApoLp-III) 		3 SER A  60
GLU A 118
GLU A  89
 None
 0.78A 4ymgB-1eq1A:
undetectable		 4ymgB-1eq1A:
17.08
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.
1g8k ARSENITE OXIDASE
ARSENITE OXIDASE

(Alcaligenes
faecalis;
Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF00355
(Rieske) 		3 SER B  72
GLU A 764
GLU A 237
 None
 0.64A 4ymgB-1g8kB:
undetectable		 4ymgB-1g8kB:
20.08
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.
1htr GASTRICSIN
PROGASTRICSIN (PRO
SEGMENT)

(Homo sapiens;
Homo sapiens) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		3 SER P  12
GLU B 289
GLU B 241
 None
 0.77A 4ymgB-1htrP:
undetectable		 4ymgB-1htrP:
10.90
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.
1i9a ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Escherichia
coli) 		PF00293
(NUDIX) 		3 SER A 159
GLU A  87
GLU A  74
 None
 0.87A 4ymgB-1i9aA:
undetectable		 4ymgB-1i9aA:
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.
1k3e CEST

(Escherichia
coli) 		PF05932
(CesT) 		3 SER A 146
GLU A   6
GLU A  14
 None
 0.79A 4ymgB-1k3eA:
undetectable		 4ymgB-1k3eA:
20.08
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.
1kig FACTOR XA

(Bos taurus) 		PF00089
(Trypsin) 		3 SER H 139
GLU H  24
GLU H  77
 None
 0.86A 4ymgB-1kigH:
undetectable		 4ymgB-1kigH:
22.39
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.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		3 SER A 134
GLU A 220
GLU A 156
 None
 0.60A 4ymgB-1m6yA:
13.8		 4ymgB-1m6yA:
21.71
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.
1ow0 IG ALPHA-1 CHAIN C
REGION
IMMUNOGLOBULIN ALPHA
FC RECEPTOR

(Homo sapiens;
Homo sapiens) 		PF00047
(ig)
PF07654
(C1-set)
no annotation 		3 SER C  91
GLU C  49
GLU A 389
 None
None
GAL  A 506 (-4.1A)
 0.85A 4ymgB-1ow0C:
undetectable		 4ymgB-1ow0C:
25.10
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.
1qmo MANNOSE BINDING
LECTIN, FRIL

(Lablab
purpureus) 		PF00139
(Lectin_legB) 		3 SER E 132
GLU E 138
GLU E 232
 None
MN  A 301 (-3.1A)
None
 0.82A 4ymgB-1qmoE:
undetectable		 4ymgB-1qmoE:
19.03
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		3 SER A 128
GLU A 185
GLU A  27
 None
 0.60A 4ymgB-1szqA:
undetectable		 4ymgB-1szqA:
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.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		3 SER A 118
GLU A  22
GLU A  25
 None
 0.70A 4ymgB-1uc4A:
2.2		 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.
1v0f ENDO-ALPHA-SIALIDASE

(Enterobacteria
phage K1F) 		PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike) 		3 SER A 605
GLU A 651
GLU A 721
 SER  A 605 ( 0.0A)
GLU  A 651 ( 0.6A)
GLU  A 721 ( 0.6A)
 0.87A 4ymgB-1v0fA:
undetectable		 4ymgB-1v0fA:
17.42
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.
1y8p [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 3
DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE
COMPONENT OF
PYRUVATE
DEHYDROGENASE
COMPLEX

(Homo sapiens;
Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3)
PF00364
(Biotin_lipoyl) 		3 SER A 160
GLU A  63
GLU B 179
 None
 0.63A 4ymgB-1y8pA:
undetectable		 4ymgB-1y8pA:
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.
1z3z DIALKYLGLYCINE
DECARBOXYLASE

(Burkholderia
cepacia) 		PF00202
(Aminotran_3) 		3 SER A  84
GLU A  70
GLU A  63
 None
 0.74A 4ymgB-1z3zA:
undetectable		 4ymgB-1z3zA:
21.76
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.
1zb7 NEUROTOXIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		3 SER A 174
GLU A 268
GLU A 357
 None
FLC  A 501 ( 3.0A)
None
 0.75A 4ymgB-1zb7A:
undetectable		 4ymgB-1zb7A:
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.
2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B

(Mus musculus) 		PF03770
(IPK) 		3 SER A 923
GLU A 797
GLU A 751
 None
 0.84A 4ymgB-2aqxA:
undetectable		 4ymgB-2aqxA:
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.
2arh HYPOTHETICAL PROTEIN
AQ_1966

(Aquifex
aeolicus) 		PF06557
(DUF1122) 		3 SER A  17
GLU A 125
GLU A 106
 None
 0.84A 4ymgB-2arhA:
undetectable		 4ymgB-2arhA:
19.84
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		3 SER A  71
GLU A  92
GLU A 646
 None
 0.77A 4ymgB-2bklA:
undetectable		 4ymgB-2bklA:
16.06
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.
2f2a ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Staphylococcus
aureus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		3 SER B 172
GLU B 328
GLU B 306
 None
 0.86A 4ymgB-2f2aB:
undetectable		 4ymgB-2f2aB:
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.
2fkb PUTATIVE NUDIX
HYDROLASE YFCD

(Escherichia
coli) 		PF00293
(NUDIX) 		3 SER A 124
GLU A  92
GLU A  79
 None
 0.87A 4ymgB-2fkbA:
undetectable		 4ymgB-2fkbA:
21.54
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.
2hmf PROBABLE
ASPARTOKINASE

(Methanocaldococcus
jannaschii) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		3 SER A 148
GLU A 155
GLU A 103
 None
 0.87A 4ymgB-2hmfA:
4.5		 4ymgB-2hmfA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ijx DNA POLYMERASE
SLIDING CLAMP A

(Sulfolobus
solfataricus) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		3 SER A 217
GLU A 123
GLU A  35
 None
EDO  A 609 ( 4.0A)
None
 0.77A 4ymgB-2ijxA:
undetectable		 4ymgB-2ijxA:
22.26
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.
2ipp CATHEPSIN B

(Homo sapiens) 		PF00112
(Peptidase_C1) 		3 SER B 220
GLU B  53
GLU B 133
 None
 0.79A 4ymgB-2ippB:
undetectable		 4ymgB-2ippB:
22.69
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.
2plj LYSINE/ORNITHINE
DECARBOXYLASE

(Vibrio
vulnificus) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		3 SER A 370
GLU A  91
GLU A 270
 None
None
P3T  A 501 (-3.7A)
 0.76A 4ymgB-2pljA:
undetectable		 4ymgB-2pljA:
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.
2pnc COPPER AMINE
OXIDASE, LIVER
ISOZYME

(Bos taurus) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		3 SER A 386
GLU A 361
GLU A 638
 None
 0.80A 4ymgB-2pncA:
undetectable		 4ymgB-2pncA:
16.60
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.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		3 SER A 360
GLU A  71
GLU A 259
 None
None
PLP  A 406 (-3.7A)
 0.81A 4ymgB-2qghA:
undetectable		 4ymgB-2qghA:
20.19
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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		3 SER A 487
GLU A 279
GLU A 249
 None
 0.71A 4ymgB-2qveA:
undetectable		 4ymgB-2qveA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v9i RHAMNULOSE-1-PHOSPHA
TE ALDOLASE

(Escherichia
coli) 		PF00596
(Aldolase_II) 		3 SER A 243
GLU A 232
GLU A  27
 None
 0.75A 4ymgB-2v9iA:
undetectable		 4ymgB-2v9iA:
21.18
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.
2vbk TAILSPIKE-PROTEIN

(Shigella virus
Sf6) 		PF12708
(Pectate_lyase_3) 		3 SER A 365
GLU A 409
GLU A 345
 None
 0.87A 4ymgB-2vbkA:
undetectable		 4ymgB-2vbkA:
18.91
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.
2vr5 GLYCOGEN OPERON
PROTEIN GLGX

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		3 SER A 463
GLU A 441
GLU A 435
 None
 0.82A 4ymgB-2vr5A:
undetectable		 4ymgB-2vr5A:
16.24
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.
2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		3 SER A 322
GLU A 344
GLU A 236
 None
 0.61A 4ymgB-2wyaA:
undetectable		 4ymgB-2wyaA:
19.17
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.
2ze0 ALPHA-GLUCOSIDASE

(Geobacillus sp.
HTA-462) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		3 SER A 330
GLU A 445
GLU A  42
 None
 0.88A 4ymgB-2ze0A:
undetectable		 4ymgB-2ze0A:
18.80
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.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1

(Saccharomyces
cerevisiae) 		PF00128
(Alpha-amylase) 		3 SER A 180
GLU A 421
GLU A 146
 None
 0.87A 4ymgB-3axiA:
undetectable		 4ymgB-3axiA:
17.58
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.
3cwq PARA FAMILY
CHROMOSOME
PARTITIONING PROTEIN

(Synechocystis
sp. PCC 6803) 		PF01656
(CbiA) 		3 SER A  41
GLU A  58
GLU A  80
 ADP  A 301 ( 4.3A)
None
None
 0.76A 4ymgB-3cwqA:
undetectable		 4ymgB-3cwqA:
22.34
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.
3cx3 LIPOPROTEIN

(Streptococcus
pneumoniae) 		PF01297
(ZnuA) 		3 SER A  67
GLU A 260
GLU A 269
 None
 0.86A 4ymgB-3cx3A:
undetectable		 4ymgB-3cx3A:
20.69
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.
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 SER A  50
GLU A 253
GLU A 349
 None
None
TLA  A 502 (-2.8A)
 0.68A 4ymgB-3d46A:
undetectable		 4ymgB-3d46A:
20.99
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.
3dni DEOXYRIBONUCLEASE I

(Bos taurus) 		PF03372
(Exo_endo_phos) 		3 SER A 250
GLU A  78
GLU A 143
 None
 0.73A 4ymgB-3dniA:
2.6		 4ymgB-3dniA:
23.37
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.
3e9m OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Enterococcus
faecalis) 		PF01408
(GFO_IDH_MocA) 		3 SER A 166
GLU A 311
GLU A 121
 None
 0.74A 4ymgB-3e9mA:
4.2		 4ymgB-3e9mA:
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.
3fo8 TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF17481
(Phage_sheath_1N) 		3 SER D 320
GLU D 357
GLU D 229
 None
 0.86A 4ymgB-3fo8D:
undetectable		 4ymgB-3fo8D:
23.76
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.
3fxg RHAMNONATE
DEHYDRATASE

(Fusarium
graminearum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 SER A  46
GLU A 248
GLU A 344
 None
 0.69A 4ymgB-3fxgA:
undetectable		 4ymgB-3fxgA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gwf CYCLOHEXANONE
MONOOXYGENASE

(Rhodococcus sp.
HI-31) 		PF00743
(FMO-like) 		3 SER A  77
GLU A 442
GLU A  30
 None
 0.75A 4ymgB-3gwfA:
undetectable		 4ymgB-3gwfA:
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		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) 		3 SER B 535
GLU B 681
GLU B 584
 None
 0.85A 4ymgB-3h0gB:
undetectable		 4ymgB-3h0gB:
12.34
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.
3k0s DNA MISMATCH REPAIR
PROTEIN MUTS

(Escherichia
coli) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		3 SER A 151
GLU A 177
GLU A  88
 None
 0.85A 4ymgB-3k0sA:
undetectable		 4ymgB-3k0sA:
14.71
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.
3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC

(Carboxydothermus
hydrogenoformans) 		PF01656
(CbiA) 		3 SER A 167
GLU A 175
GLU A 252
 None
 0.84A 4ymgB-3kjeA:
undetectable		 4ymgB-3kjeA:
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.
3ln6 GLUTATHIONE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
GSHAB

(Streptococcus
agalactiae) 		PF01071
(GARS_A)
PF04262
(Glu_cys_ligase) 		3 SER A 661
GLU A 572
GLU A 565
 SO4  A 751 (-3.1A)
None
None
 0.80A 4ymgB-3ln6A:
undetectable		 4ymgB-3ln6A:
15.59
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.
3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE

(Ehrlichia
chaffeensis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		3 SER A  79
GLU A 100
GLU A 292
 None
 0.59A 4ymgB-3lp8A:
undetectable		 4ymgB-3lp8A:
20.22
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.
3mv3 COATOMER SUBUNIT
ALPHA

(Saccharomyces
cerevisiae) 		PF06957
(COPI_C) 		3 SER A1188
GLU A1177
GLU A1053
 None
 0.70A 4ymgB-3mv3A:
undetectable		 4ymgB-3mv3A:
22.29
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.
3o14 ANTI-ECFSIGMA
FACTOR, CHRR

(Marinobacter
hydrocarbonoclasticus) 		PF12973
(Cupin_7) 		3 SER A  23
GLU A  64
GLU A  76
 NIO  A 300 ( 4.4A)
ZN  A 250 (-1.8A)
None
 0.67A 4ymgB-3o14A:
undetectable		 4ymgB-3o14A:
23.17
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.
3o59 DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
horikoshii) 		PF03833
(PolC_DP2) 		3 SER X 136
GLU X 220
GLU X 190
 None
 0.77A 4ymgB-3o59X:
undetectable		 4ymgB-3o59X:
21.09
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.
3pih UVRABC SYSTEM
PROTEIN A

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		3 SER A 466
GLU A 865
GLU A 526
 None
 0.62A 4ymgB-3pihA:
undetectable		 4ymgB-3pihA:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pih UVRABC SYSTEM
PROTEIN A

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		3 SER A 621
GLU A 865
GLU A 526
 PPV  A1001 (-2.9A)
None
None
 0.87A 4ymgB-3pihA:
undetectable		 4ymgB-3pihA:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qlt GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 2

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		3 SER A  83
GLU A  22
GLU A 202
 None
 0.72A 4ymgB-3qltA:
5.1		 4ymgB-3qltA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3shd PHOSPHATASE NUDJ

(Escherichia
coli) 		PF00293
(NUDIX) 		3 SER A 120
GLU A  55
GLU A  39
 None
SO4  A 157 ( 2.4A)
MN  A 155 ( 4.7A)
 0.74A 4ymgB-3shdA:
undetectable		 4ymgB-3shdA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3skv SSFX3

(Streptomyces
sp. SF2575) 		PF13472
(Lipase_GDSL_2) 		3 SER A 351
GLU A 322
GLU A 279
 None
 0.70A 4ymgB-3skvA:
4.2		 4ymgB-3skvA:
19.04
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.
3t2c FRUCTOSE-1,6-BISPHOS
PHATE
ALDOLASE/PHOSPHATASE

(Pyrobaculum
neutrophilum) 		PF01950
(FBPase_3) 		3 SER A  55
GLU A 220
GLU A 169
 None
 0.84A 4ymgB-3t2cA:
undetectable		 4ymgB-3t2cA:
21.31
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.
3t7v METHYLORNITHINE
SYNTHASE PYLB

(Methanosarcina
barkeri) 		PF04055
(Radical_SAM) 		3 SER A 277
GLU A 171
GLU A 117
 MD0  A 993 (-2.6A)
SAM  A 992 (-2.8A)
None
 0.76A 4ymgB-3t7vA:
undetectable		 4ymgB-3t7vA:
19.42
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.
3tj7 GBAA_1210 PROTEIN

(Bacillus
anthracis) 		PF01928
(CYTH) 		3 SER A 138
GLU A 125
GLU A   4
 None
 0.85A 4ymgB-3tj7A:
undetectable		 4ymgB-3tj7A:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wx7 CHITIN
OLIGOSACCHARIDE
DEACETYLASE

(Vibrio
parahaemolyticus) 		PF01522
(Polysacc_deac_1) 		3 SER A  86
GLU A 292
GLU A  73
 None
 0.77A 4ymgB-3wx7A:
undetectable		 4ymgB-3wx7A:
20.88
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.
3zyj LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4C
NETRIN-G1

(Homo sapiens;
Homo sapiens) 		PF00560
(LRR_1)
PF07679
(I-set)
PF13306
(LRR_5)
PF13855
(LRR_8)
PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		3 SER B 228
GLU B 283
GLU A 223
 None
 0.86A 4ymgB-3zyjB:
undetectable		 4ymgB-3zyjB:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4awn DEOXYRIBONUCLEASE-1

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		3 SER A 250
GLU A  78
GLU A 143
 None
 0.77A 4ymgB-4awnA:
2.5		 4ymgB-4awnA:
21.76
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.
4bs9 TRUD

(uncultured
Prochloron sp.
06037A) 		PF02624
(YcaO) 		3 SER A 561
GLU A 647
GLU A 430
 None
 0.84A 4ymgB-4bs9A:
undetectable		 4ymgB-4bs9A:
15.17
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.
4by9 NOP5/NOP56 RELATED
PROTEIN
FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		PF01798
(Nop)
PF01269
(Fibrillarin) 		3 SER E  92
GLU E  47
GLU C 226
 None
 0.80A 4ymgB-4by9E:
11.9		 4ymgB-4by9E:
22.74
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.
4d0p COP9 SIGNALOSOME
COMPLEX SUBUNIT 4

(Homo sapiens) 		PF01399
(PCI) 		3 SER A 178
GLU A 133
GLU A 100
 None
 0.82A 4ymgB-4d0pA:
undetectable		 4ymgB-4d0pA:
21.71
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.
4f0a PROTEIN WNT-8

(Xenopus laevis) 		PF00110
(wnt) 		3 SER B 106
GLU B 201
GLU B  54
 None
 0.82A 4ymgB-4f0aB:
undetectable		 4ymgB-4f0aB:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f3l CIRCADIAN LOCOMOTER
OUTPUT CYCLES
PROTEIN KAPUT
BMAL1B

(Mus musculus;
Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11)
PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		3 SER B 211
GLU A 270
GLU A 108
 None
 0.79A 4ymgB-4f3lB:
undetectable		 4ymgB-4f3lB:
19.58
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.
4hiz ENDOSIALIDASE

(Enterobacteria
phage phi92) 		PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike) 		3 SER A 446
GLU A 492
GLU A 564
 None
 0.81A 4ymgB-4hizA:
undetectable		 4ymgB-4hizA:
15.91
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.
4hjh PHOSPHOMANNOMUTASE

(Brucella
melitensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		3 SER A 306
GLU A 287
GLU A 449
 IOD  A 505 ( 4.8A)
None
EDO  A 548 ( 4.9A)
 0.67A 4ymgB-4hjhA:
undetectable		 4ymgB-4hjhA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hzh PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		3 SER A 275
GLU A 305
GLU A 314
 None
 0.82A 4ymgB-4hzhA:
undetectable		 4ymgB-4hzhA:
18.43
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.
4j57 THIOREDOXIN
REDUCTASE 2

(Plasmodium
falciparum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 SER A 107
GLU A 274
GLU A 428
 None
 0.80A 4ymgB-4j57A:
2.3		 4ymgB-4j57A:
20.45
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.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		3 SER A 540
GLU A 505
GLU A 508
 None
 0.81A 4ymgB-4jc8A:
2.7		 4ymgB-4jc8A:
16.34
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.
4jjn HISTONE H2A.2
HISTONE H2B.2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00125
(Histone)
PF16211
(Histone_H2A_C)
PF00125
(Histone) 		3 SER C  19
GLU D 116
GLU C  65
 None
 0.72A 4ymgB-4jjnC:
undetectable		 4ymgB-4jjnC:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l9g TRANSCRIPTIONAL
REGULATOR, PPSR

(Rhodobacter
sphaeroides) 		PF13188
(PAS_8) 		3 SER A  74
GLU A  65
GLU A  97
 None
 0.76A 4ymgB-4l9gA:
undetectable		 4ymgB-4l9gA:
22.43
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.
4lmh EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT OMCA

(Shewanella
oneidensis) 		no annotation 3 SER A 263
GLU A 353
GLU A 102
 None
 0.75A 4ymgB-4lmhA:
undetectable		 4ymgB-4lmhA:
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.
4lob POLYPRENYL
SYNTHETASE

(Acinetobacter
baumannii) 		PF00348
(polyprenyl_synt) 		3 SER A 280
GLU A 164
GLU A 293
 None
 0.78A 4ymgB-4lobA:
undetectable		 4ymgB-4lobA:
22.91
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.
4ma5 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Francisella
tularensis) 		PF02222
(ATP-grasp) 		3 SER A 362
GLU A 213
GLU A 349
 None
 0.80A 4ymgB-4ma5A:
4.3		 4ymgB-4ma5A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4miv N-SULPHOGLUCOSAMINE
SULPHOHYDROLASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		3 SER A  69
GLU A 140
GLU A 129
 FGP  A  70 ( 3.3A)
None
None
 0.61A 4ymgB-4mivA:
undetectable		 4ymgB-4mivA:
17.42
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.
4mte ZINC UPTAKE
REGULATION PROTEIN

(Escherichia
coli) 		PF01475
(FUR) 		3 SER A  84
GLU A 111
GLU A 118
 None
ZN  A 202 (-2.2A)
None
 0.87A 4ymgB-4mteA:
undetectable		 4ymgB-4mteA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n4k HYDROXYLAMINE
OXIDOREDUCTASE

(Candidatus
Kuenenia
stuttgartiensis) 		PF13447
(Multi-haem_cyto) 		3 SER A 489
GLU A 469
GLU A 428
 None
 0.74A 4ymgB-4n4kA:
undetectable		 4ymgB-4n4kA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n4r LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Salmonella
enterica;
Salmonella
enterica) 		PF04453
(OstA_C)
PF04390
(LptE) 		3 SER A 441
GLU B 153
GLU A 575
 None
 0.79A 4ymgB-4n4rA:
undetectable		 4ymgB-4n4rA:
16.07
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.
4o89 RNA 3'-TERMINAL
PHOSPHATE CYCLASE

(Pyrococcus
horikoshii) 		PF01137
(RTC)
PF05189
(RTC_insert) 		3 SER A 295
GLU A 141
GLU A 241
 None
 0.83A 4ymgB-4o89A:
undetectable		 4ymgB-4o89A:
22.10
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.
4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Vibrio cholerae) 		PF01546
(Peptidase_M20) 		3 SER A  18
GLU A  12
GLU A 114
 None
 0.83A 4ymgB-4op4A:
undetectable		 4ymgB-4op4A:
24.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pd3 NONMUSCLE MYOSIN
HEAVY CHAIN B,
ALPHA-ACTININ A
CHIMERA PROTEIN

(Homo sapiens;
Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		3 SER A  49
GLU A 780
GLU A 863
 None
 0.87A 4ymgB-4pd3A:
undetectable		 4ymgB-4pd3A:
12.49
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		3 SER A 380
GLU A 514
GLU A 711
 None
 0.54A 4ymgB-4r04A:
undetectable		 4ymgB-4r04A:
9.01
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.
4r9g MBP1

(Caldanaerobius
polysaccharolyticus) 		PF13416
(SBP_bac_8) 		3 SER A  35
GLU A 134
GLU A 271
 None
 0.76A 4ymgB-4r9gA:
undetectable		 4ymgB-4r9gA:
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		3 SER A3892
GLU A3739
GLU A3850
 None
 0.67A 4ymgB-4rh7A:
undetectable		 4ymgB-4rh7A:
5.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s1w GLUTAMINE--FRUCTOSE-
6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Staphylococcus
aureus) 		PF01380
(SIS) 		3 SER A 377
GLU A 394
GLU A 478
 None
 0.70A 4ymgB-4s1wA:
2.5		 4ymgB-4s1wA:
22.25
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.
4xg1 DIAMINOPIMELATE
DECARBOXYLASE

(Psychromonas
ingrahamii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		3 SER A 378
GLU A  86
GLU A 274
 None
None
LLP  A 508 (-3.8A)
 0.88A 4ymgB-4xg1A:
undetectable		 4ymgB-4xg1A:
20.99
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.
4y05 KINESIN-LIKE PROTEIN
KIF2C

(Homo sapiens) 		PF00225
(Kinesin) 		3 SER A 551
GLU A 436
GLU A 396
 None
 0.81A 4ymgB-4y05A:
undetectable		 4ymgB-4y05A:
20.05
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) 		3 SER A  49
GLU A  98
GLU A 128
 SAM  A1001 (-2.4A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.3A)
 0.58A 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.
4ymw ABC-TYPE POLAR AMINO
ACID TRANSPORT
SYSTEM, ATPASE
COMPONENT

(Caldanaerobacter
subterraneus) 		no annotation 3 SER J  38
GLU J 217
GLU J  28
 None
 0.68A 4ymgB-4ymwJ:
undetectable		 4ymgB-4ymwJ:
19.86
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.
4zkt BONTOXILYSIN A
BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH

(Clostridium
botulinum;
Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N)
PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		3 SER B 927
GLU B1030
GLU A 465
 None
 0.72A 4ymgB-4zktB:
undetectable		 4ymgB-4zktB:
11.17
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.
5a8j VWA2

(Sulfolobus
acidocaldarius) 		PF00092
(VWA) 		3 SER A 146
GLU A 225
GLU A 220
 SO4  A1367 (-3.4A)
GOL  A1369 (-3.0A)
None
 0.73A 4ymgB-5a8jA:
undetectable		 4ymgB-5a8jA:
21.54
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.
5b7o PROLIFERATING CELL
NUCLEAR ANTIGEN

(Leishmania
donovani) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		3 SER A  96
GLU A   3
GLU A 104
 None
 0.84A 4ymgB-5b7oA:
undetectable		 4ymgB-5b7oA:
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.
5ck7 ADP-DEPENDENT
GLUCOKINASE

(Mus musculus) 		PF04587
(ADP_PFK_GK) 		3 SER A 490
GLU A 297
GLU A 325
 None
 0.80A 4ymgB-5ck7A:
4.7		 4ymgB-5ck7A:
19.55
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.
5eqi SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 1

(Homo sapiens) 		PF00083
(Sugar_tr) 		3 SER A 368
GLU A 426
GLU A  41
 None
 0.81A 4ymgB-5eqiA:
undetectable		 4ymgB-5eqiA:
19.39
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.
5f1y MCCC FAMILY PROTEIN

(Bacillus cereus) 		PF02016
(Peptidase_S66) 		3 SER A  93
GLU A 246
GLU A 315
 None
 0.85A 4ymgB-5f1yA:
undetectable		 4ymgB-5f1yA:
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 SER B  62
GLU B  54
GLU B 178
 None
 0.74A 4ymgB-5fq6B:
undetectable		 4ymgB-5fq6B:
13.90
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.
5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 2
TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 6
TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 8

(Homo sapiens;
Homo sapiens;
Homo sapiens) 		no annotation
PF07571
(TAF6_C)
PF10406
(TAF8_C) 		3 SER I 853
GLU L 177
GLU J 226
 None
 0.76A 4ymgB-5furI:
undetectable		 4ymgB-5furI:
11.55