SIMILAR PATTERNS OF AMINO ACIDS FOR 2HMY_B_SAMB328

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		7 PHE A   7
GLY A   9
GLY A  12
ASN A  28
ASP A  31
ASP A  50
ILE A  51
 None
 0.70A 2hmyB-1dctA:
27.2		 2hmyB-1dctA:
33.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		8 PHE A   7
GLY A   9
GLY A  12
ASN A  28
ASP A  31
ILE A  51
PRO A  70
LEU A  90
 None
 0.67A 2hmyB-1dctA:
27.2		 2hmyB-1dctA:
33.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		7 PHE A   7
GLY A   9
GLY A  12
ASN A  28
ASP A  50
ILE A  51
VAL A 308
 None
 0.86A 2hmyB-1dctA:
27.2		 2hmyB-1dctA:
33.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		8 PHE A   7
GLY A   9
GLY A  12
ASN A  28
ILE A  51
PRO A  70
LEU A  90
VAL A 308
 None
 0.86A 2hmyB-1dctA:
27.2		 2hmyB-1dctA:
33.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		5 PHE A   7
GLY A  11
ILE A  51
PRO A  70
LEU A  90
 None
 0.88A 2hmyB-1dctA:
27.2		 2hmyB-1dctA:
33.24
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.
1f0k UDP-N-ACETYLGLUCOSAM
INE-N-ACETYLMURAMYL-
(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Escherichia
coli) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 GLY A  41
GLY A  14
ASP A  59
PRO A  52
VAL A  20
 None
 1.04A 2hmyB-1f0kA:
4.4		 2hmyB-1f0kA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1huj INORGANIC
PYROPHOSPHATASE

(Saccharomyces
cerevisiae) 		PF00719
(Pyrophosphatase) 		5 GLY A 114
GLY A 149
ASP A 102
ILE A 218
PRO A 108
 None
 1.01A 2hmyB-1hujA:
undetectable		 2hmyB-1hujA:
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.
1io1 PHASE 1 FLAGELLIN

(Salmonella
enterica) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C)
PF08884
(Flagellin_D3) 		5 GLY A 227
ASP A 224
ASP A 277
PRO A 271
LEU A 270
 None
 0.99A 2hmyB-1io1A:
undetectable		 2hmyB-1io1A:
21.74
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.
1jjf ENDO-1,4-BETA-XYLANA
SE Z

(Ruminiclostridium
thermocellum) 		PF00756
(Esterase) 		5 PHE A 141
GLY A 137
GLY A 131
ILE A 181
LEU A  87
 None
 1.09A 2hmyB-1jjfA:
2.4		 2hmyB-1jjfA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  84
GLY A  87
ASP A 106
ASP A 141
LEU A 169
 None
 1.02A 2hmyB-1mjfA:
6.9		 2hmyB-1mjfA:
23.32
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.
1qot CHITIN BINDING
LECTIN, UEA-II

(Ulex europaeus) 		PF00139
(Lectin_legB) 		5 PHE A 127
GLY A  87
ILE A 145
LEU A 185
VAL A  36
 None
 0.93A 2hmyB-1qotA:
undetectable		 2hmyB-1qotA:
18.51
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.
1vme FLAVOPROTEIN

(Thermotoga
maritima) 		PF00258
(Flavodoxin_1) 		5 PHE A 165
GLY A 227
GLY A 171
ILE A  15
TYR A 197
 None
 1.10A 2hmyB-1vmeA:
5.8		 2hmyB-1vmeA:
20.96
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 130
GLY A 133
ASP A 153
ASP A 182
LEU A 212
 None
 0.74A 2hmyB-1xj5A:
7.8		 2hmyB-1xj5A:
19.51
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.
2a8q U8 SNORNA-BINDING
PROTEIN X29

(Xenopus laevis) 		PF00293
(NUDIX) 		5 PHE A 172
GLY A 168
ILE A 155
LEU A  68
VAL A 203
 None
 1.06A 2hmyB-2a8qA:
undetectable		 2hmyB-2a8qA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aie PEPTIDE DEFORMYLASE

(Streptococcus
pneumoniae) 		PF01327
(Pep_deformylase) 		5 GLY P  69
ASP P  14
ILE P  13
TYR P 166
VAL P 170
 SB9  P 501 ( 4.9A)
None
None
SB9  P 501 (-4.5A)
SB9  P 501 ( 4.1A)
 0.96A 2hmyB-2aieP:
undetectable		 2hmyB-2aieP:
21.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		10 PHE A  18
GLY A  20
ASN A  39
TRP A  41
ASP A  42
ASP A  60
ILE A  61
PRO A  80
LEU A 100
TYR A 289
 SAH  A 328 (-4.9A)
SAH  A 328 (-3.3A)
SAH  A 328 (-4.3A)
SAH  A 328 (-3.4A)
None
SAH  A 328 (-3.6A)
SAH  A 328 (-4.3A)
SAH  A 328 (-4.0A)
SAH  A 328 ( 4.9A)
None
 1.05A 2hmyB-2i9kA:
43.7		 2hmyB-2i9kA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		6 PHE A  18
GLY A  20
GLY A  22
PRO A  80
LEU A 100
TYR A 285
 SAH  A 328 (-4.9A)
SAH  A 328 (-3.3A)
None
SAH  A 328 (-4.0A)
SAH  A 328 ( 4.9A)
None
 1.10A 2hmyB-2i9kA:
43.7		 2hmyB-2i9kA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		6 PHE A  18
GLY A  20
GLY A  22
PRO A  80
LEU A 100
TYR A 289
 SAH  A 328 (-4.9A)
SAH  A 328 (-3.3A)
None
SAH  A 328 (-4.0A)
SAH  A 328 ( 4.9A)
None
 1.23A 2hmyB-2i9kA:
43.7		 2hmyB-2i9kA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		12 PHE A  18
GLY A  20
GLY A  23
ASN A  39
TRP A  41
ASP A  42
ASP A  60
ILE A  61
PRO A  80
LEU A 100
TYR A 285
VAL A 306
 SAH  A 328 (-4.9A)
SAH  A 328 (-3.3A)
SAH  A 328 (-3.6A)
SAH  A 328 (-4.3A)
SAH  A 328 (-3.4A)
None
SAH  A 328 (-3.6A)
SAH  A 328 (-4.3A)
SAH  A 328 (-4.0A)
SAH  A 328 ( 4.9A)
None
SAH  A 328 (-4.4A)
 0.52A 2hmyB-2i9kA:
43.7		 2hmyB-2i9kA:
99.69
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.
2ift PUTATIVE METHYLASE
HI0767

(Haemophilus
influenzae) 		PF03602
(Cons_hypoth95) 		5 PHE A  61
GLY A  63
ASP A  85
PRO A 134
LEU A 139
 None
 0.97A 2hmyB-2iftA:
9.1		 2hmyB-2iftA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nul PEPTIDYLPROLYL
ISOMERASE

(Escherichia
coli) 		PF00160
(Pro_isomerase) 		5 GLY A 129
ASN A   7
ASP A 154
ILE A 156
VAL A 126
 None
 1.07A 2hmyB-2nulA:
undetectable		 2hmyB-2nulA:
19.25
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.
2pwz MALATE DEHYDROGENASE

(Escherichia
coli) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 PHE A 264
GLY A 256
ILE A 281
LEU A 292
TYR A 138
 None
 1.04A 2hmyB-2pwzA:
5.2		 2hmyB-2pwzA:
23.74
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.
2qe7 ATP SYNTHASE SUBUNIT
BETA

(Bacillus sp.
TA2.A1) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 GLY D 418
GLY D 415
ASP D 136
ILE D 132
LEU D 164
 None
 1.09A 2hmyB-2qe7D:
undetectable		 2hmyB-2qe7D:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2) 		5 PHE A 714
GLY A 716
ASP A 830
PRO A 785
LEU A 784
 None
 1.07A 2hmyB-2vmfA:
undetectable		 2hmyB-2vmfA:
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  86
GLY A  89
ASP A 109
ASP A 144
LEU A 172
 None
 1.09A 2hmyB-2zsuA:
8.0		 2hmyB-2zsuA:
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.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 GLY A 391
GLY A  19
ASN A 397
ILE A 408
LEU A 458
 None
 1.10A 2hmyB-2zxhA:
undetectable		 2hmyB-2zxhA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a75 GAMMA-GLUTAMYLTRANSP
EPTIDASE LARGE CHAIN

(Bacillus
subtilis) 		PF01019
(G_glu_transpept) 		5 PHE A  79
GLY A  60
ASN A  82
ILE A  91
VAL A  63
 None
 1.08A 2hmyB-3a75A:
undetectable		 2hmyB-3a75A:
23.66
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.
3av3 PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Geobacillus
kaustophilus) 		PF00551
(Formyl_trans_N) 		5 PHE A   7
GLY A  88
GLY A  10
ILE A  93
VAL A  43
 None
 0.96A 2hmyB-3av3A:
5.0		 2hmyB-3av3A:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		7 PHE A1148
GLY A1150
GLY A1153
ASP A1193
PRO A1228
LEU A1250
TYR A1565
 SAM  A   1 (-4.9A)
SAM  A   1 ( 3.9A)
SAM  A   1 (-3.6A)
SAM  A   1 (-3.6A)
SAM  A   1 ( 4.2A)
SAM  A   1 (-4.6A)
None
 1.40A 2hmyB-3av6A:
16.5		 2hmyB-3av6A:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		7 PHE A1148
GLY A1150
GLY A1153
ASP A1193
PRO A1228
LEU A1250
VAL A1582
 SAM  A   1 (-4.9A)
SAM  A   1 ( 3.9A)
SAM  A   1 (-3.6A)
SAM  A   1 (-3.6A)
SAM  A   1 ( 4.2A)
SAM  A   1 (-4.6A)
SAM  A   1 (-3.8A)
 0.96A 2hmyB-3av6A:
16.5		 2hmyB-3av6A:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3baz HYDROXYPHENYLPYRUVAT
E REDUCTASE

(Plectranthus
scutellarioides) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 254
GLY A 252
ASP A 256
ASP A 106
ILE A 109
 None
None
NAP  A 500 (-3.9A)
None
None
 1.07A 2hmyB-3bazA:
4.0		 2hmyB-3bazA:
22.19
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.
3dh9 THIOREDOXIN
REDUCTASE 1

(Drosophila
melanogaster) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  21
GLY A 342
ASP A  39
LEU A 138
VAL A 324
 None
None
FAD  A 500 (-3.1A)
None
None
 1.08A 2hmyB-3dh9A:
undetectable		 2hmyB-3dh9A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 GLY A 700
GLY A 703
ASP A 721
ASP A 747
PRO A 765
 ADP  A   3 (-3.5A)
None
None
ADP  A   3 (-3.4A)
ADP  A   3 (-3.3A)
 0.69A 2hmyB-3egiA:
8.5		 2hmyB-3egiA:
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.
3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 PHE A 698
GLY A 700
GLY A 703
ASP A 721
PRO A 765
 ADP  A   3 (-4.5A)
ADP  A   3 (-3.5A)
None
None
ADP  A   3 (-3.3A)
 0.48A 2hmyB-3egiA:
8.5		 2hmyB-3egiA:
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.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC

(Caulobacter
vibrioides) 		PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated) 		5 GLY A 373
GLY A 375
ILE A 359
PRO A 275
LEU A 299
 None
 0.94A 2hmyB-3epmA:
undetectable		 2hmyB-3epmA:
19.77
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		6 PHE A   7
GLY A   9
GLY A  12
ASP A  31
ASP A  51
VAL A 349
 None
None
None
None
None
CL  A 401 ( 4.0A)
 0.99A 2hmyB-3g7uA:
25.1		 2hmyB-3g7uA:
29.05
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		7 PHE A   7
GLY A   9
GLY A  12
ASP A  31
PRO A  78
LEU A  97
VAL A 349
 None
None
None
None
None
None
CL  A 401 ( 4.0A)
 0.84A 2hmyB-3g7uA:
25.1		 2hmyB-3g7uA:
29.05
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.
3gdh TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 GLY A 700
GLY A 703
ASP A 721
ASP A 747
PRO A 765
 SAH  A 854 (-3.3A)
SAH  A 854 (-3.0A)
None
SAH  A 854 (-3.6A)
SAH  A 854 (-3.8A)
 0.76A 2hmyB-3gdhA:
8.3		 2hmyB-3gdhA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gdh TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 PHE A 698
GLY A 700
GLY A 703
ASP A 721
PRO A 765
 SAH  A 854 (-4.3A)
SAH  A 854 (-3.3A)
SAH  A 854 (-3.0A)
None
SAH  A 854 (-3.8A)
 0.70A 2hmyB-3gdhA:
8.3		 2hmyB-3gdhA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i0p MALATE DEHYDROGENASE

(Entamoeba
histolytica) 		PF02615
(Ldh_2) 		5 PHE A  55
GLY A  51
ASP A  61
ILE A  60
LEU A 355
 None
 1.03A 2hmyB-3i0pA:
undetectable		 2hmyB-3i0pA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ixq RIBOSE-5-PHOSPHATE
ISOMERASE A

(Methanocaldococcus
jannaschii) 		PF06026
(Rib_5-P_isom_A) 		5 PHE A  82
GLY A  84
GLY A  29
ILE A  80
LEU A  17
 None
PGO  A 233 (-3.3A)
PGO  A 232 (-3.4A)
None
None
 1.01A 2hmyB-3ixqA:
undetectable		 2hmyB-3ixqA:
19.65
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.
3kv1 TRANSCRIPTIONAL
REPRESSOR

(Aliivibrio
fischeri) 		PF04198
(Sugar-bind) 		6 GLY A 188
GLY A  61
ASP A 190
ILE A 208
LEU A 140
VAL A  64
 GOL  A 271 (-3.7A)
GOL  A 271 ( 4.5A)
None
None
None
None
 1.32A 2hmyB-3kv1A:
undetectable		 2hmyB-3kv1A:
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.
3l87 PEPTIDE DEFORMYLASE

(Streptococcus
mutans) 		PF01327
(Pep_deformylase) 		5 GLY A  70
ASP A  15
ILE A  14
TYR A 167
VAL A 171
 None
 0.99A 2hmyB-3l87A:
undetectable		 2hmyB-3l87A:
23.49
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 GLY A 202
ASP A 263
ASP A 289
PRO A 307
LEU A 321
 GTP  A 383 (-2.6A)
None
GTP  A 383 ( 3.8A)
GTP  A 383 (-3.7A)
None
 0.92A 2hmyB-3lduA:
6.2		 2hmyB-3lduA:
22.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lx6 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		6 PHE A  93
GLY A  95
GLY A  97
ILE A 141
PRO A 176
LEU A 205
 None
 1.05A 2hmyB-3lx6A:
30.5		 2hmyB-3lx6A:
33.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lx6 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		8 PHE A  93
GLY A  95
GLY A  98
ASP A 140
ILE A 141
PRO A 176
LEU A 205
VAL A 438
 None
 0.59A 2hmyB-3lx6A:
30.5		 2hmyB-3lx6A:
33.89
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.
3m6i L-ARABINITOL
4-DEHYDROGENASE

(Neurospora
crassa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 219
GLY A 215
ASP A 211
ILE A 223
LEU A 330
 None
None
NAD  A 501 (-2.9A)
None
None
 1.02A 2hmyB-3m6iA:
5.3		 2hmyB-3m6iA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m6x RRNA METHYLASE

(Thermus
thermophilus) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		5 GLY A 114
ASN A 132
ASP A 135
PRO A 179
LEU A 211
 None
 1.09A 2hmyB-3m6xA:
7.2		 2hmyB-3m6xA:
19.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3me5 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		7 PHE A  93
GLY A  95
GLY A  98
ASP A 140
ILE A 141
PRO A 176
VAL A 438
 None
 0.96A 2hmyB-3me5A:
27.8		 2hmyB-3me5A:
30.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3me5 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		7 PHE A  93
GLY A  95
GLY A  98
ILE A 141
PRO A 176
LEU A 205
VAL A 438
 None
 0.55A 2hmyB-3me5A:
27.8		 2hmyB-3me5A:
30.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3me5 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		5 PHE A  93
GLY A  97
ILE A 141
PRO A 176
LEU A 205
 None
 0.83A 2hmyB-3me5A:
27.8		 2hmyB-3me5A:
30.60
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		6 PHE A1145
GLY A1147
GLY A1150
ASP A1190
LEU A1247
TYR A1563
 SAH  A1601 (-4.4A)
SAH  A1601 (-3.5A)
SAH  A1601 (-3.6A)
SAH  A1601 ( 4.7A)
SAH  A1601 (-3.7A)
None
 1.46A 2hmyB-3ptaA:
26.0		 2hmyB-3ptaA:
16.08
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		7 PHE A1145
GLY A1147
GLY A1150
ASP A1190
PRO A1225
LEU A1247
VAL A1580
 SAH  A1601 (-4.4A)
SAH  A1601 (-3.5A)
SAH  A1601 (-3.6A)
SAH  A1601 ( 4.7A)
SAH  A1601 (-4.2A)
SAH  A1601 (-3.7A)
SAH  A1601 (-4.4A)
 0.90A 2hmyB-3ptaA:
26.0		 2hmyB-3ptaA:
16.08
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.
3qv2 5-CYTOSINE DNA
METHYLTRANSFERASE

(Entamoeba
histolytica) 		PF00145
(DNA_methylase) 		5 PHE A  12
GLY A  14
GLY A  17
PRO A  80
VAL A 304
 SAH  A 323 (-4.4A)
SAH  A 323 (-3.6A)
SAH  A 323 (-3.0A)
SAH  A 323 (-4.4A)
SAH  A 323 ( 4.4A)
 0.40A 2hmyB-3qv2A:
26.6		 2hmyB-3qv2A:
27.02
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.
3rjt LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Alicyclobacillus
acidocaldarius) 		PF13472
(Lipase_GDSL_2) 		5 GLY A  59
GLY A  25
ASP A  13
LEU A 119
VAL A  56
 None
None
ACT  A 301 (-3.8A)
None
None
 1.06A 2hmyB-3rjtA:
undetectable		 2hmyB-3rjtA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t1u PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Azotobacter
vinelandii) 		PF00160
(Pro_isomerase) 		5 GLY A 129
ASN A   7
ASP A 154
ILE A 156
VAL A 126
 None
 1.10A 2hmyB-3t1uA:
undetectable		 2hmyB-3t1uA:
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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 PHE A 192
GLY A 194
ASP A 218
ASP A 243
PRO A 262
LEU A 276
 None
 0.94A 2hmyB-3tmaA:
9.0		 2hmyB-3tmaA:
21.01
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 GLY A 199
ASP A 264
ASP A 290
PRO A 311
LEU A 325
 SAM  A 801 (-3.2A)
None
SAM  A 801 (-3.0A)
SAM  A 801 ( 4.1A)
SAM  A 801 ( 4.8A)
 0.91A 2hmyB-3v8vA:
8.4		 2hmyB-3v8vA:
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLY A 240
GLY A 278
ASP A 212
PRO A 253
TYR A 376
 LLP  A  61 ( 3.3A)
LLP  A  61 ( 3.5A)
None
None
LLP  A  61 ( 4.6A)
 1.09A 2hmyB-3vabA:
undetectable		 2hmyB-3vabA:
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.
3vh1 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME ATG7

(Saccharomyces
cerevisiae) 		PF00899
(ThiF)
PF16420
(ATG7_N) 		5 GLY A 473
GLY A 484
ASP A 431
ILE A 432
LEU A 530
 None
 1.04A 2hmyB-3vh1A:
6.4		 2hmyB-3vh1A:
22.16
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.
3vte TETRAHYDROCANNABINOL
IC ACID SYNTHASE

(Cannabis sativa) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 191
GLY A 189
ASN A 196
ASP A 286
PRO A 418
 None
FAD  A 607 (-3.5A)
None
None
None
 0.93A 2hmyB-3vteA:
undetectable		 2hmyB-3vteA:
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.
4apl APICAL MEMBRANE
ANTIGEN 1

(Neospora
caninum) 		PF02430
(AMA-1) 		5 PHE A 264
GLY A 115
GLY A 401
ILE A 118
LEU A 223
 None
 0.98A 2hmyB-4aplA:
undetectable		 2hmyB-4aplA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b46 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 PHE A 167
GLY A 135
ASN A 169
ILE A 186
VAL A 228
 None
None
GDP  A1368 (-3.3A)
GDP  A1368 (-4.2A)
None
 1.02A 2hmyB-4b46A:
4.1		 2hmyB-4b46A:
21.45
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.
4dkj CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Mycoplasma
penetrans) 		PF00145
(DNA_methylase) 		6 PHE A  17
GLY A  19
GLY A  21
ILE A 114
PRO A 134
LEU A 157
 SAH  A 501 (-4.8A)
SAH  A 501 (-3.4A)
SAH  A 501 (-4.0A)
SAH  A 501 (-4.3A)
SAH  A 501 ( 4.4A)
SAH  A 501 (-4.8A)
 1.08A 2hmyB-4dkjA:
29.0		 2hmyB-4dkjA:
27.43
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.
4dkj CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Mycoplasma
penetrans) 		PF00145
(DNA_methylase) 		7 PHE A  17
GLY A  19
TRP A  46
ASP A 113
ILE A 114
PRO A 134
LEU A 157
 SAH  A 501 (-4.8A)
SAH  A 501 (-3.4A)
SAH  A 501 (-4.0A)
SAH  A 501 (-3.7A)
SAH  A 501 (-4.3A)
SAH  A 501 ( 4.4A)
SAH  A 501 (-4.8A)
 0.72A 2hmyB-4dkjA:
29.0		 2hmyB-4dkjA:
27.43
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.
4ewp 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Micrococcus
luteus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 149
GLY A 125
ILE A 176
LEU A  84
VAL A 119
 None
 1.04A 2hmyB-4ewpA:
undetectable		 2hmyB-4ewpA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h0n DNMT2

(Spodoptera
frugiperda) 		PF00145
(DNA_methylase) 		5 GLY A  11
GLY A  14
ILE A  56
PRO A  77
VAL A 318
 SAH  A 401 (-3.3A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.9A)
SAH  A 401 (-4.2A)
SAH  A 401 (-4.4A)
 0.68A 2hmyB-4h0nA:
26.5		 2hmyB-4h0nA:
28.42
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.
4if2 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Mycobacterium
tuberculosis) 		PF02126
(PTE) 		5 GLY A 206
GLY A 186
ASP A  67
LEU A  73
TYR A 216
 None
 0.97A 2hmyB-4if2A:
undetectable		 2hmyB-4if2A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j05 PHOSPHATE
TRANSPORTER

(Serendipita
indica) 		PF00083
(Sugar_tr) 		5 GLY A 143
ASP A  45
ILE A  52
LEU A 332
VAL A  87
 None
 1.10A 2hmyB-4j05A:
undetectable		 2hmyB-4j05A:
21.16
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.
4jj6 ACETYL XYLAN
ESTERASE

(Geobacillus
stearothermophilus) 		PF13472
(Lipase_GDSL_2) 		5 GLY A  60
GLY A  26
ASP A  14
LEU A 120
VAL A  57
 None
None
CL  A 305 ( 4.4A)
None
None
 1.00A 2hmyB-4jj6A:
3.6		 2hmyB-4jj6A:
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.
4lq1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 PHE A 318
GLY A 251
ASP A 323
ILE A 322
PRO A 308
 None
 1.05A 2hmyB-4lq1A:
undetectable		 2hmyB-4lq1A:
19.71
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A 279
GLY A 282
ASP A 335
ILE A 336
LEU A 383
 SAM  A 601 (-3.5A)
SAM  A 601 (-3.1A)
SAM  A 601 (-3.6A)
SAM  A 601 (-4.1A)
SAM  A 601 (-4.6A)
 0.71A 2hmyB-4n49A:
6.1		 2hmyB-4n49A:
20.36
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.
4o1k CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		5 PHE A 196
GLY A 111
GLY A 193
ASN A 197
VAL A 108
 None
 0.98A 2hmyB-4o1kA:
undetectable		 2hmyB-4o1kA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4onq DNA
METHYLTRANSFERASE

(Nicotiana
tabacum) 		PF00145
(DNA_methylase) 		6 PHE A 488
GLY A 490
GLY A 493
ASP A 539
PRO A 566
LEU A 588
 SFG  A 700 (-4.5A)
SFG  A 700 (-3.5A)
SFG  A 700 (-3.6A)
SFG  A 700 ( 4.4A)
None
SFG  A 700 (-4.9A)
 1.25A 2hmyB-4onqA:
6.6		 2hmyB-4onqA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4onq DNA
METHYLTRANSFERASE

(Nicotiana
tabacum) 		PF00145
(DNA_methylase) 		6 PHE A 488
GLY A 490
GLY A 494
ASP A 539
PRO A 566
LEU A 588
 SFG  A 700 (-4.5A)
SFG  A 700 (-3.5A)
None
SFG  A 700 ( 4.4A)
None
SFG  A 700 (-4.9A)
 1.43A 2hmyB-4onqA:
6.6		 2hmyB-4onqA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q22 GLYCOSIDE HYDROLASE
FAMILY 18

(Serratia
proteamaculans) 		PF00704
(Glyco_hydro_18) 		5 GLY A 113
GLY A 115
ILE A  82
LEU A  84
VAL A  35
 ACT  A 502 ( 4.6A)
GOL  A 503 (-4.6A)
None
OMT  A  89 ( 4.4A)
None
 1.09A 2hmyB-4q22A:
undetectable		 2hmyB-4q22A:
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.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		5 PHE B 154
GLY B 152
GLY B 202
ASP B  53
ILE B  54
 None
None
None
SAM  B 301 ( 4.6A)
None
 0.83A 2hmyB-4qtuB:
8.8		 2hmyB-4qtuB:
19.15
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.
4rjw PORIN O

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		5 GLY A 403
GLY A 405
ASN A 242
ASP A 401
TYR A 386
 None
 1.03A 2hmyB-4rjwA:
undetectable		 2hmyB-4rjwA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s28 PHOSPHOMETHYLPYRIMID
INE SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01964
(ThiC_Rad_SAM) 		5 GLY A 382
GLY A 384
ILE A 368
PRO A 284
LEU A 308
 None
 1.01A 2hmyB-4s28A:
undetectable		 2hmyB-4s28A:
21.80
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.
4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		PF00145
(DNA_methylase) 		6 PHE A 640
GLY A 642
GLY A 646
ASP A 686
PRO A 709
LEU A 730
 SAH  A1004 (-4.6A)
SAH  A1004 (-3.3A)
None
SAH  A1004 (-3.0A)
SAH  A1004 ( 3.9A)
SAH  A1004 ( 4.9A)
 1.18A 2hmyB-4u7tA:
19.6		 2hmyB-4u7tA:
20.75
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.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		7 PHE A1145
GLY A1147
GLY A1150
ASP A1190
PRO A1225
LEU A1247
VAL A1580
 SAH  A1706 (-4.8A)
SAH  A1706 (-3.2A)
SAH  A1706 (-3.2A)
SAH  A1706 (-3.3A)
SAH  A1706 ( 4.7A)
SAH  A1706 (-4.6A)
SAH  A1706 (-4.4A)
 1.02A 2hmyB-4wxxA:
16.8		 2hmyB-4wxxA:
13.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c5b DCC-INTERACTING
PROTEIN 13-ALPHA

(Homo sapiens) 		PF00169
(PH)
PF16746
(BAR_3) 		6 PHE A  89
GLY A 230
ASP A  94
ILE A  93
LEU A  65
VAL A 233
 None
 1.44A 2hmyB-5c5bA:
undetectable		 2hmyB-5c5bA:
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.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens) 		no annotation 5 GLY C 206
GLY C 187
ILE C 107
LEU C 168
VAL C 177
 None
 0.82A 2hmyB-5elpC:
undetectable		 2hmyB-5elpC:
18.31
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.
5en4 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLY A  18
GLY A  24
ASP A  42
ASP A  62
LEU A 113
 NAD  A 301 ( 4.2A)
None
None
NAD  A 301 (-3.4A)
NAD  A 301 (-4.5A)
 1.09A 2hmyB-5en4A:
6.6		 2hmyB-5en4A:
20.73
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.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		6 PHE A1148
GLY A1150
GLY A1153
ASP A1193
LEU A1250
TYR A1565
 SAH  A1701 (-4.8A)
SAH  A1701 (-3.5A)
SAH  A1701 (-3.3A)
SAH  A1701 (-3.7A)
SAH  A1701 (-4.6A)
None
 1.47A 2hmyB-5gutA:
26.2		 2hmyB-5gutA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		7 PHE A1148
GLY A1150
GLY A1153
ASP A1193
PRO A1228
LEU A1250
VAL A1582
 SAH  A1701 (-4.8A)
SAH  A1701 (-3.5A)
SAH  A1701 (-3.3A)
SAH  A1701 (-3.7A)
SAH  A1701 ( 4.5A)
SAH  A1701 (-4.6A)
SAH  A1701 (-4.0A)
 0.98A 2hmyB-5gutA:
26.2		 2hmyB-5gutA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT ZETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 PHE z 418
GLY z 414
GLY z 490
ILE z 517
LEU z 133
 None
 0.95A 2hmyB-5gw5z:
undetectable		 2hmyB-5gw5z:
21.23
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		6 GLY A1104
GLY A1064
ASP A1140
ASP A1147
LEU A1111
VAL A1060
 None
 1.40A 2hmyB-5h64A:
undetectable		 2hmyB-5h64A:
7.98
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.
5hh9 PVDN

(Pseudomonas
aeruginosa) 		PF00266
(Aminotran_5) 		5 GLY A 399
ILE A 183
PRO A 358
LEU A 363
VAL A 401
 None
 1.07A 2hmyB-5hh9A:
2.6		 2hmyB-5hh9A:
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.
5il0 METTL3

(Homo sapiens) 		PF05063
(MT-A70) 		5 PHE A 534
ASP A 377
ILE A 378
PRO A 397
LEU A 409
 None
 1.03A 2hmyB-5il0A:
4.8		 2hmyB-5il0A:
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.
5ip7 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3
DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC5

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF01194
(RNA_pol_N) 		5 GLY J  11
ASP J  55
ILE J   2
LEU C 143
VAL C 235
 None
 1.08A 2hmyB-5ip7J:
undetectable		 2hmyB-5ip7J:
12.58
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.
5irm UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF05729
(NACHT)
PF13516
(LRR_6) 		5 GLY A 811
GLY A 786
ASP A 809
LEU A 856
VAL A 782
 None
 1.06A 2hmyB-5irmA:
undetectable		 2hmyB-5irmA:
16.75
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.
5jd3 LAE5

(uncultured
bacterium) 		PF13472
(Lipase_GDSL_2) 		5 GLY A  61
GLY A  27
ASP A  14
LEU A 121
VAL A  58
 None
None
CL  A 301 ( 4.5A)
None
None
 1.00A 2hmyB-5jd3A:
3.5		 2hmyB-5jd3A:
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.
5jf0 PEPTIDE DEFORMYLASE

(Streptococcus
agalactiae) 		PF01327
(Pep_deformylase) 		5 GLY A  70
ASP A  15
ILE A  14
TYR A 167
VAL A 171
 None
SME  A  16 ( 3.7A)
None
None
None
 1.01A 2hmyB-5jf0A:
undetectable		 2hmyB-5jf0A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jos CYCLOHEXADIENYL
DEHYDRATASE

(synthetic
construct) 		PF00497
(SBP_bac_3) 		5 GLY A  28
GLY A  88
ILE A  19
PRO A 214
VAL A  90
 None
 0.99A 2hmyB-5josA:
undetectable		 2hmyB-5josA:
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.
5mhf MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Mus musculus) 		no annotation 5 PHE A 432
GLY A 469
GLY A 473
ASP A 460
LEU A  92
 None
 1.08A 2hmyB-5mhfA:
undetectable		 2hmyB-5mhfA:
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 PHE A2280
GLY A2305
ASP A2277
LEU A2325
VAL A2307
 None
 1.08A 2hmyB-5nugA:
undetectable		 2hmyB-5nugA:
5.41
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.
5tey N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT

(Homo sapiens) 		PF05063
(MT-A70) 		5 PHE A 534
ASP A 377
ILE A 378
PRO A 397
LEU A 409
 SAH  A 601 (-4.7A)
SAH  A 601 (-3.2A)
SAH  A 601 (-3.9A)
SAH  A 601 (-4.3A)
None
 1.06A 2hmyB-5teyA:
5.2		 2hmyB-5teyA:
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.
6ave ACID-SENSING ION
CHANNEL 1

(Gallus gallus) 		no annotation 5 PHE A 101
GLY A 163
ASP A 228
ILE A 138
PRO A 232
 None
 1.05A 2hmyB-6aveA:
undetectable		 2hmyB-6aveA:
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.
6brr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		no annotation 6 PHE A 640
GLY A 642
GLY A 646
ASP A 686
PRO A 709
LEU A 730
 SAH  A1001 (-4.4A)
SAH  A1001 (-3.4A)
None
SAH  A1001 (-3.0A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.8A)
 1.15A 2hmyB-6brrA:
17.8		 2hmyB-6brrA:
undetectable