SIMILAR PATTERNS OF AMINO ACIDS FOR 4B17_A_SAMA1358_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bt4 PHOSPHOSERINE
AMINOTRANSFERASE

(Bacillus
circulans) 		PF00266
(Aminotran_5) 		5 GLY A 288
GLY A 284
GLY A 283
ASP A 280
VAL A 292
 None
 1.08A 4b17A-1bt4A:
undetectable		 4b17A-1bt4A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bxk PROTEIN
(DTDP-GLUCOSE
4,6-DEHYDRATASE)

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 SER A 322
GLY A 253
GLY A 323
ASP A 231
VAL A 315
 None
 0.88A 4b17A-1bxkA:
5.9		 4b17A-1bxkA:
22.58
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.
1cbg CYANOGENIC
BETA-GLUCOSIDASE

(Trifolium
repens) 		PF00232
(Glyco_hydro_1) 		5 GLY A 195
GLY A 212
GLY A 213
ASP A 455
VAL A 187
 None
 0.97A 4b17A-1cbgA:
undetectable		 4b17A-1cbgA:
20.80
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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		8 GLY A  59
PRO A  62
GLY A  63
GLY A  64
TRP A  65
ASP A  83
ASP A 124
MET A 125
 SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.3A)
 0.50A 4b17A-1eizA:
15.3		 4b17A-1eizA:
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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		7 PRO A  62
GLY A  63
GLY A  64
TRP A  65
ASP A  83
ASP A  99
ASP A 124
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
 0.79A 4b17A-1eizA:
15.3		 4b17A-1eizA:
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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		6 SER A  33
GLY A  59
GLY A  64
TRP A  65
ASP A 124
MET A 125
 SAM  A 301 ( 4.6A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.3A)
 1.01A 4b17A-1eizA:
15.3		 4b17A-1eizA:
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.
1i9g HYPOTHETICAL PROTEIN
RV2118C

(Mycobacterium
tuberculosis) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 107
GLY A 111
ASP A 161
ASP A 178
MET A 179
 SAM  A 301 (-2.7A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
 0.91A 4b17A-1i9gA:
13.0		 4b17A-1i9gA:
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.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  84
GLY A  88
GLY A  89
ASP A 107
ASP A 138
 None
 0.91A 4b17A-1iy9A:
10.4		 4b17A-1iy9A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 GLY A  41
GLY A  45
GLY A  46
ASP A  62
ASP A  90
 SAH  A 801 (-3.4A)
SAH  A 801 (-4.0A)
SAH  A 801 (-3.2A)
SAH  A 801 (-2.6A)
SAH  A 801 (-3.8A)
 0.66A 4b17A-1l3iA:
12.9		 4b17A-1l3iA:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 GLY A 359
GLY A 358
ASP A  36
ASP A  82
ASP A  69
 None
 1.10A 4b17A-1o94A:
2.8		 4b17A-1o94A:
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.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 SER A  32
GLY A  53
GLY A  27
GLY A  28
ASP A  52
 None
None
EPU  A 598 (-3.7A)
EPU  A 598 (-3.2A)
None
 1.10A 4b17A-1p31A:
undetectable		 4b17A-1p31A:
22.11
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.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 GLY A 310
GLY A 236
GLY A 235
ASP A 287
ASP A 312
 None
MAP  A 450 (-3.5A)
MAP  A 450 (-3.5A)
None
None
 1.14A 4b17A-1qpgA:
2.2		 4b17A-1qpgA:
21.29
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.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		7 SER A  56
GLY A  81
GLY A  85
GLY A  86
TRP A  87
ASP A 131
ASP A 146
 SAH  A 887 ( 2.8A)
SAH  A 887 (-3.6A)
SAH  A 887 ( 4.3A)
SAH  A 887 (-3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 ( 3.3A)
SAH  A 887 (-3.9A)
 0.64A 4b17A-1r6aA:
5.9		 4b17A-1r6aA:
21.82
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.
1ri3 MRNA CAPPING ENZYME

(Encephalitozoon
cuniculi) 		PF03291
(Pox_MCEL) 		5 GLY A  72
GLY A  76
GLY A  77
ASP A  94
ASP A 122
 SAH  A 299 (-3.3A)
None
None
SAH  A 299 (-2.9A)
SAH  A 299 (-3.2A)
 0.85A 4b17A-1ri3A:
10.1		 4b17A-1ri3A:
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 284
PRO A 353
GLY A 314
GLY A 313
MET A 357
 None
 1.12A 4b17A-1sb3A:
undetectable		 4b17A-1sb3A:
18.56
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.
1sqg SUN PROTEIN

(Escherichia
coli) 		PF01029
(NusB)
PF01189
(Methyltr_RsmB-F) 		6 PRO A 257
GLY A 258
GLY A 259
ASP A 277
ASP A 303
ASP A 322
 None
 0.98A 4b17A-1sqgA:
10.4		 4b17A-1sqgA:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 PRO A  72
GLY A  73
ASP A  35
MET A  34
VAL A  33
 UMA  A 963 (-3.8A)
UMA  A 963 (-3.1A)
UMA  A 963 (-3.4A)
None
None
 1.04A 4b17A-1uagA:
2.1		 4b17A-1uagA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wpw 3-ISOPROPYLMALATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00180
(Iso_dh) 		5 GLY A  43
GLY A  11
GLY A  13
ASP A  44
VAL A  81
 None
 1.12A 4b17A-1wpwA:
undetectable		 4b17A-1wpwA:
24.58
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.
2b25 HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF08704
(GCD14) 		6 GLY A 111
GLY A 115
GLY A 116
ASP A 173
ASP A 192
MET A 193
 SAM  A 601 (-2.9A)
SAM  A 601 (-4.1A)
SAM  A 601 (-3.5A)
SAM  A 601 (-3.4A)
SAM  A 601 (-3.5A)
SAM  A 601 ( 4.2A)
 0.82A 4b17A-2b25A:
11.9		 4b17A-2b25A:
20.10
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.
2b9e NOL1/NOP2/SUN DOMAIN
FAMILY, MEMBER 5
ISOFORM 2

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		5 PRO A 237
GLY A 238
ASP A 258
ASP A 285
ASP A 305
 SAM  A1201 (-3.7A)
SAM  A1201 (-3.9A)
SAM  A1201 (-2.6A)
SAM  A1201 (-3.6A)
SAM  A1201 (-3.7A)
 0.75A 4b17A-2b9eA:
12.6		 4b17A-2b9eA:
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.
2e3j EPOXIDE HYDROLASE
EPHB

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		5 GLY A  88
GLY A  12
ASP A  91
ASP A  85
VAL A  83
 None
 0.98A 4b17A-2e3jA:
undetectable		 4b17A-2e3jA:
23.54
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.
2hdw HYPOTHETICAL PROTEIN
PA2218

(Pseudomonas
aeruginosa) 		PF02129
(Peptidase_S15) 		5 GLY A 136
GLY A 139
GLY A 140
ASP A 131
VAL A 278
 None
 1.03A 4b17A-2hdwA:
undetectable		 4b17A-2hdwA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hdw HYPOTHETICAL PROTEIN
PA2218

(Pseudomonas
aeruginosa) 		PF02129
(Peptidase_S15) 		5 SER A 112
GLY A 182
CYH A 179
PRO A 104
GLY A 103
 None
 1.04A 4b17A-2hdwA:
undetectable		 4b17A-2hdwA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hnh DNA POLYMERASE III
ALPHA SUBUNIT

(Escherichia
coli) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 GLY A 133
GLY A 134
ASP A  69
ASP A  43
VAL A 202
 None
PO4  A 911 ( 4.1A)
None
None
None
 1.12A 4b17A-2hnhA:
undetectable		 4b17A-2hnhA:
19.08
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.
2jft SER-THR PHOSPHATASE
MSPP

(Mycolicibacterium
smegmatis) 		PF13672
(PP2C_2) 		5 PRO A  15
GLY A 221
GLY A 220
ASP A  12
ASP A 218
 None
 1.00A 4b17A-2jftA:
undetectable		 4b17A-2jftA:
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		9 SER A   4
GLY A  30
PRO A  33
GLY A  34
TRP A  36
ASP A  62
ASP A  79
ASP A 104
MET A 105
 SAM  A 201 ( 4.8A)
SAM  A 201 (-3.5A)
SAM  A 201 (-3.4A)
SAM  A 201 (-3.7A)
SAM  A 201 (-3.9A)
SAM  A 201 (-2.8A)
SAM  A 201 (-3.3A)
SAM  A 201 (-3.7A)
SAM  A 201 (-3.9A)
 0.63A 4b17A-2nyuA:
14.4		 4b17A-2nyuA:
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		6 SER A  57
GLY A  82
GLY A  86
GLY A  87
TRP A  88
ASP A 132
 SAM  A 300 (-2.6A)
SAM  A 300 (-3.3A)
SAM  A 300 ( 4.6A)
SAM  A 300 (-3.2A)
SAM  A 300 (-3.8A)
SAM  A 300 (-3.9A)
 0.81A 4b17A-2oxtA:
13.5		 4b17A-2oxtA:
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		6 SER A  57
GLY A  82
GLY A  86
GLY A  87
TRP A  88
ASP A 147
 SAM  A 300 (-2.6A)
SAM  A 300 (-3.3A)
SAM  A 300 ( 4.6A)
SAM  A 300 (-3.2A)
SAM  A 300 (-3.8A)
SAM  A 300 (-3.9A)
 0.54A 4b17A-2oxtA:
13.5		 4b17A-2oxtA:
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.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		7 SER A  56
GLY A  81
GLY A  85
GLY A  86
TRP A  87
ASP A 131
ASP A 146
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.0A)
SAH  A 301 (-4.3A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.2A)
SAH  A 301 (-4.2A)
 0.64A 4b17A-2oy0A:
12.3		 4b17A-2oy0A:
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.
2p35 TRANS-ACONITATE
2-METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF13489
(Methyltransf_23) 		5 GLY A  38
PRO A  41
GLY A  42
ASP A  61
ASP A  83
 SAH  A 301 (-3.6A)
None
None
SAH  A 301 (-2.7A)
SAH  A 301 (-3.2A)
 0.66A 4b17A-2p35A:
13.1		 4b17A-2p35A:
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.
2plw RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF01728
(FtsJ) 		7 SER A   4
GLY A  30
PRO A  33
GLY A  34
TRP A  36
ASP A  55
ASP A 113
 SAM  A 203 ( 4.5A)
SAM  A 203 (-3.4A)
SAM  A 203 (-3.5A)
SAM  A 203 (-3.6A)
SAM  A 203 (-3.8A)
SAM  A 203 (-2.8A)
SAM  A 203 (-3.6A)
 0.43A 4b17A-2plwA:
14.2		 4b17A-2plwA:
19.02
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.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		7 SER A  56
GLY A  81
GLY A  85
GLY A  86
TRP A  87
ASP A 131
ASP A 146
 SAH  A 500 (-2.5A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.4A)
SAH  A 500 (-3.5A)
SAH  A 500 (-3.6A)
 0.68A 4b17A-2px5A:
4.3		 4b17A-2px5A:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vp3 VP39

(Vaccinia virus) 		PF01358
(PARP_regulatory) 		5 GLY A  68
PRO A  71
GLY A  72
ASP A  95
ASP A 138
 SAH  A 400 (-3.4A)
SAH  A 400 (-3.7A)
SAH  A 400 (-3.5A)
SAH  A 400 (-2.6A)
SAH  A 400 (-3.7A)
 0.65A 4b17A-2vp3A:
9.4		 4b17A-2vp3A:
19.31
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.
2vr2 DIHYDROPYRIMIDINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 SER A  92
GLY A  94
GLY A  93
ASP A  65
ASP A 354
 None
 1.06A 4b17A-2vr2A:
undetectable		 4b17A-2vr2A:
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.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		5 GLY A  82
GLY A  86
TRP A  88
ASP A 132
ASP A 147
 SAM  A1248 (-3.3A)
SAM  A1248 (-4.4A)
SAM  A1248 (-3.7A)
SAM  A1248 (-3.6A)
SAM  A1248 (-3.7A)
 0.65A 4b17A-2wa2A:
10.1		 4b17A-2wa2A:
20.26
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.
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		5 GLY A  71
GLY A  81
ASP A  99
ASP A 130
MET A 131
 SAH  A1293 (-3.8A)
SAH  A1293 (-3.6A)
SAH  A1293 (-2.7A)
SAH  A1293 (-3.7A)
SAH  A1293 (-3.8A)
 0.88A 4b17A-2xyqA:
9.8		 4b17A-2xyqA:
20.47
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.
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		5 GLY A  81
ASP A  99
ASP A 114
ASP A 130
MET A 131
 SAH  A1293 (-3.6A)
SAH  A1293 (-2.7A)
SAH  A1293 (-3.7A)
SAH  A1293 (-3.7A)
SAH  A1293 (-3.8A)
 1.00A 4b17A-2xyqA:
9.8		 4b17A-2xyqA:
20.47
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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		5 PRO A 178
GLY A 179
GLY A 180
ASP A 120
ASP A 182
 None
 1.05A 4b17A-2yocA:
undetectable		 4b17A-2yocA:
16.25
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.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		6 PRO A 270
GLY A 271
GLY A 272
ASP A 291
ASP A 318
ASP A 337
 SFG  A5748 (-3.6A)
SFG  A5748 (-3.7A)
SFG  A5748 (-3.7A)
SFG  A5748 (-2.9A)
SFG  A5748 (-3.7A)
SFG  A5748 (-3.6A)
 0.75A 4b17A-2yxlA:
10.5		 4b17A-2yxlA:
25.53
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.
3cp7 ALKALINE SERINE
PROTEASE AL20

(Nesterenkonia
aethiopica) 		PF13365
(Trypsin_2) 		6 SER A 168
GLY A 170
GLY A 171
TRP A 173
ASP A  91
ASP A  87
 None
 1.14A 4b17A-3cp7A:
undetectable		 4b17A-3cp7A:
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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 SER A 366
PRO A  50
GLY A  51
GLY A  52
VAL A 351
 None
 1.14A 4b17A-3dc8A:
undetectable		 4b17A-3dc8A:
23.11
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.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		5 GLY A  50
PRO A  53
GLY A  54
ASP A  72
ASP A 100
 SAM  A 220 (-3.5A)
None
None
SAM  A 220 (-2.9A)
SAM  A 220 (-3.2A)
 0.54A 4b17A-3dlcA:
10.9		 4b17A-3dlcA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		5 SER A  20
GLY A  50
PRO A  53
ASP A  72
ASP A 100
 None
SAM  A 220 (-3.5A)
None
SAM  A 220 (-2.9A)
SAM  A 220 (-3.2A)
 1.04A 4b17A-3dlcA:
10.9		 4b17A-3dlcA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		7 GLY A  46
PRO A  49
GLY A  50
GLY A  51
TRP A  52
ASP A  67
ASP A 111
 SAM  A   1 (-3.5A)
SAM  A   1 (-3.5A)
SAM  A   1 (-3.8A)
SAM  A   1 (-3.2A)
SAM  A   1 (-4.0A)
SAM  A   1 (-2.7A)
SAM  A   1 (-3.7A)
 0.38A 4b17A-3douA:
15.1		 4b17A-3douA:
21.22
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		6 PRO A  49
GLY A  50
TRP A  52
ASP A  67
ASP A  83
ASP A 111
 SAM  A   1 (-3.5A)
SAM  A   1 (-3.8A)
SAM  A   1 (-4.0A)
SAM  A   1 (-2.7A)
SAM  A   1 (-3.6A)
SAM  A   1 (-3.7A)
 0.79A 4b17A-3douA:
15.1		 4b17A-3douA:
21.22
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 SER A  20
GLY A  46
GLY A  51
TRP A  52
ASP A 111
 SAM  A   1 ( 4.5A)
SAM  A   1 (-3.5A)
SAM  A   1 (-3.2A)
SAM  A   1 (-4.0A)
SAM  A   1 (-3.7A)
 1.08A 4b17A-3douA:
15.1		 4b17A-3douA:
21.22
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.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		6 SER A  56
GLY A  81
GLY A  85
GLY A  86
TRP A  87
ASP A 146
 SAM  A4633 ( 2.7A)
SAM  A4633 (-3.2A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.5A)
SAM  A4633 (-3.7A)
 0.50A 4b17A-3eluA:
10.6		 4b17A-3eluA:
19.90
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.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		7 SER A  56
GLY A  81
GLY A  85
GLY A  86
TRP A  87
ASP A 131
ASP A 146
 SAH  A 901 (-2.6A)
SAH  A 901 (-3.4A)
SAH  A 901 ( 4.4A)
SAH  A 901 (-3.1A)
SAH  A 901 (-3.6A)
SAH  A 901 (-3.7A)
SAH  A 901 (-3.8A)
 0.67A 4b17A-3evcA:
13.4		 4b17A-3evcA:
21.82
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.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		7 SER A  56
GLY A  81
GLY A  85
GLY A  86
TRP A  87
ASP A 131
ASP A 146
 SAM  A4633 (-2.7A)
SAM  A4633 (-3.4A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.6A)
SAM  A4633 (-3.7A)
SAM  A4633 (-3.7A)
 0.69A 4b17A-3gczA:
13.7		 4b17A-3gczA:
20.55
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.
3hp7 HEMOLYSIN, PUTATIVE

(Streptococcus
thermophilus) 		PF01479
(S4)
PF01728
(FtsJ) 		6 SER A  64
GLY A  90
GLY A  94
GLY A  95
ASP A 112
ASP A 155
 None
EOH  A 301 ( 3.7A)
None
None
EOH  A 301 (-4.0A)
None
 0.57A 4b17A-3hp7A:
16.9		 4b17A-3hp7A:
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.
3isl PURINE CATABOLISM
PROTEIN PUCG

(Bacillus
subtilis) 		PF00266
(Aminotran_5) 		5 GLY A 337
GLY A 334
GLY A 333
ASP A 336
ASP A 342
 None
 0.98A 4b17A-3islA:
undetectable		 4b17A-3islA:
23.20
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.
3kke LACI FAMILY
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13377
(Peripla_BP_3) 		5 GLY A 152
ASP A 190
ASP A 161
ASP A 320
VAL A 157
 None
 1.14A 4b17A-3kkeA:
2.3		 4b17A-3kkeA:
25.77
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.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		7 SER A  56
GLY A  81
GLY A  85
GLY A  86
TRP A  87
ASP A 131
ASP A 146
 SFG  A 301 (-2.6A)
SFG  A 301 (-3.5A)
SFG  A 301 ( 4.4A)
SFG  A 301 (-3.4A)
SFG  A 301 (-3.7A)
SFG  A 301 (-3.1A)
SFG  A 301 (-3.8A)
 0.62A 4b17A-3lkzA:
13.0		 4b17A-3lkzA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0w ABC BRANCHED CHAIN
AMINO ACID FAMILY
TRANSPORTER,
PERIPLASMIC LIGAND
BINDING PROTEIN

(Paraburkholderia
xenovorans) 		PF13458
(Peripla_BP_6) 		5 SER A 223
GLY A 269
GLY A 250
GLY A 251
VAL A 266
 None
 0.83A 4b17A-3n0wA:
undetectable		 4b17A-3n0wA:
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.
3opn PUTATIVE HEMOLYSIN

(Lactococcus
lactis) 		PF01728
(FtsJ) 		5 GLY A  64
GLY A  68
GLY A  69
ASP A  86
ASP A 129
 None
SO4  A   1 (-4.0A)
SO4  A   1 (-3.3A)
None
None
 0.81A 4b17A-3opnA:
17.3		 4b17A-3opnA:
23.36
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.
3opn PUTATIVE HEMOLYSIN

(Lactococcus
lactis) 		PF01728
(FtsJ) 		5 SER A  38
GLY A  64
GLY A  68
GLY A  69
ASP A 129
 SO4  A   1 ( 2.5A)
None
SO4  A   1 (-4.0A)
SO4  A   1 (-3.3A)
None
 0.78A 4b17A-3opnA:
17.3		 4b17A-3opnA:
23.36
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.
3r24 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		6 GLY A  71
GLY A  81
ASP A  99
ASP A 114
ASP A 130
MET A 131
 SAM  A 302 (-3.7A)
SAM  A 302 (-3.4A)
SAM  A 302 (-2.6A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 (-3.7A)
 0.99A 4b17A-3r24A:
9.7		 4b17A-3r24A:
22.54
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.
3ure ALPHA-LYTIC PROTEASE

(Lysobacter
enzymogenes) 		PF00089
(Trypsin) 		5 SER A  43
GLY A 215
GLY A 196
GLY A 197
VAL A 218
 None
 0.92A 4b17A-3ureA:
undetectable		 4b17A-3ureA:
17.62
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.
3vgl GLUCOKINASE

(Streptomyces
griseus) 		PF00480
(ROK) 		5 SER A 263
GLY A 302
GLY A 299
GLY A 298
ASP A   8
 None
None
None
None
ANP  A 325 ( 4.5A)
 1.00A 4b17A-3vglA:
undetectable		 4b17A-3vglA:
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.
3wy8 SERINE PROTEASE

(Paenarthrobacter
nicotinovorans) 		no annotation 5 SER A 170
GLY A 172
GLY A 173
TRP A 175
ASP A  92
 None
 1.05A 4b17A-3wy8A:
undetectable		 4b17A-3wy8A:
19.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		12 SER A 186
GLY A 219
CYH A 221
PRO A 222
GLY A 223
GLY A 224
TRP A 225
ASP A 240
ASP A 260
ASP A 277
MET A 278
VAL A 279
 None
EDO  A1373 (-3.8A)
EDO  A1373 (-4.5A)
None
None
None
None
EDO  A1373 (-3.1A)
None
None
None
None
 0.54A 4b17A-4aukA:
55.8		 4b17A-4aukA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		6 SER A 186
GLY A 219
GLY A 223
ASP A 277
MET A 278
VAL A 279
 None
EDO  A1373 (-3.8A)
None
None
None
None
 1.25A 4b17A-4aukA:
55.8		 4b17A-4aukA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		7 SER A 188
GLY A 219
CYH A 221
GLY A 223
GLY A 224
ASP A 240
ASP A 260
 None
EDO  A1373 (-3.8A)
EDO  A1373 (-4.5A)
None
None
EDO  A1373 (-3.1A)
None
 1.20A 4b17A-4aukA:
55.8		 4b17A-4aukA:
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.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 351
GLY A 346
GLY A 345
TRP A 190
ASP A 220
 None
 1.14A 4b17A-4c2kA:
undetectable		 4b17A-4c2kA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE

(Azoarcus sp.
BH72) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A  61
GLY A  55
GLY A  54
TRP A  57
VAL A 395
 None
 1.02A 4b17A-4d5gA:
2.5		 4b17A-4d5gA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		5 PRO A 185
GLY A 185
GLY A 186
ASP A 204
ASP A 255
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.7A)
SAM  A 401 (-3.9A)
SAM  A 401 (-2.9A)
SAM  A 401 (-3.7A)
 0.47A 4b17A-4fzvA:
9.2		 4b17A-4fzvA:
21.12
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		5 GLY A  63
PRO A  66
GLY A  67
GLY A  68
ASP A 111
 ACT  A 402 (-3.4A)
None
None
None
None
 0.65A 4b17A-4gc5A:
11.2		 4b17A-4gc5A:
23.24
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.
4h7u PYRANOSE
DEHYDROGENASE

(Leucoagaricus
meleagris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 SER A 223
GLY A 282
GLY A  99
GLY A  98
VAL A 544
 None
FED  A 801 (-3.5A)
FED  A 801 (-3.1A)
None
None
 1.10A 4b17A-4h7uA:
2.6		 4b17A-4h7uA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 GLY A 232
GLY A 236
GLY A 238
ASP A 254
ASP A 281
 SAH  A 501 (-3.6A)
None
None
SAH  A 501 (-2.6A)
SAH  A 501 (-3.5A)
 1.09A 4b17A-4ineA:
11.5		 4b17A-4ineA:
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.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 GLY A  61
GLY A  65
GLY A  67
ASP A  83
ASP A 108
 SAM  A 301 (-3.5A)
None
None
SAM  A 301 (-2.7A)
SAM  A 301 (-3.5A)
 1.12A 4b17A-4iv8A:
11.9		 4b17A-4iv8A:
18.32
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		6 SER A  56
GLY A  81
GLY A  85
GLY A  86
ASP A 131
ASP A 146
 SAH  A1001 (-2.8A)
SAH  A1001 (-3.3A)
SAH  A1001 (-4.3A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
 0.77A 4b17A-4k6mA:
12.7		 4b17A-4k6mA:
18.32
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		6 SER A  56
GLY A  81
GLY A  85
GLY A  86
TRP A  87
ASP A 146
 SAH  A1001 (-2.8A)
SAH  A1001 (-3.3A)
SAH  A1001 (-4.3A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.9A)
SAH  A1001 (-3.6A)
 0.73A 4b17A-4k6mA:
12.7		 4b17A-4k6mA:
18.32
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 GLY A 228
GLY A 232
GLY A 234
ASP A 250
ASP A 277
 SAH  A 701 (-3.5A)
None
None
SAH  A 701 (-2.7A)
SAH  A 701 (-3.4A)
 1.03A 4b17A-4kriA:
11.6		 4b17A-4kriA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		5 SER A 156
PRO A  23
GLY A  22
GLY A 153
ASP A  34
 None
FDA  A 801 (-3.5A)
FDA  A 801 (-3.2A)
None
None
 0.86A 4b17A-4mifA:
2.3		 4b17A-4mifA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		5 SER A 156
PRO A  23
GLY A  22
GLY A 153
ASP A 259
 None
FDA  A 801 (-3.5A)
FDA  A 801 (-3.2A)
None
None
 1.10A 4b17A-4mifA:
2.3		 4b17A-4mifA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 GLY A  60
GLY A  64
GLY A  65
ASP A  82
ASP A 107
 SAM  A 301 (-3.7A)
None
None
SAM  A 301 (-2.8A)
SAM  A 301 (-3.5A)
 0.95A 4b17A-4mwzA:
11.7		 4b17A-4mwzA:
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 GLY A  60
GLY A  64
GLY A  66
ASP A  82
ASP A 107
 SAM  A 301 (-3.7A)
None
None
SAM  A 301 (-2.8A)
SAM  A 301 (-3.5A)
 1.10A 4b17A-4mwzA:
11.7		 4b17A-4mwzA:
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		5 PRO A 280
GLY A 281
GLY A 282
ASP A 335
ASP A 364
 SAM  A 601 (-3.6A)
SAM  A 601 (-3.6A)
SAM  A 601 (-3.1A)
SAM  A 601 (-3.6A)
SAM  A 601 (-3.6A)
 0.70A 4b17A-4n49A:
10.3		 4b17A-4n49A:
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.
4n9w GDP-MANNOSE-DEPENDEN
T
ALPHA-(1-2)-PHOSPHAT
IDYLINOSITOL
MANNOSYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF13439
(Glyco_transf_4)
PF13692
(Glyco_trans_1_4) 		5 SER A  19
GLY A  15
GLY A  16
ASP A 198
VAL A 226
 GDP  A 401 ( 4.0A)
GDP  A 401 (-3.6A)
GDP  A 401 (-3.7A)
None
GDP  A 401 (-4.9A)
 1.12A 4b17A-4n9wA:
3.6		 4b17A-4n9wA:
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.
4og1 ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		5 GLY A 128
GLY A 122
GLY A 121
ASP A 130
VAL A 102
 None
 0.84A 4b17A-4og1A:
undetectable		 4b17A-4og1A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xac EVDO2

(Micromonospora
carbonacea) 		PF05721
(PhyH) 		5 PRO A 164
GLY A 165
GLY A 166
ASP A  14
VAL A 207
 None
 1.08A 4b17A-4xacA:
undetectable		 4b17A-4xacA:
23.47
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.
4y1p 3-ISOPROPYLMALATE
DEHYDROGENASE

(Sulfolobus
acidocaldarius) 		PF00180
(Iso_dh) 		5 GLY A  44
GLY A  12
GLY A  14
ASP A  45
VAL A  82
 None
 1.12A 4b17A-4y1pA:
undetectable		 4b17A-4y1pA:
24.76
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.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  95
GLY A  99
GLY A 100
ASP A 118
ASP A 149
 S4M  A 301 (-3.5A)
None
None
S4M  A 301 (-3.0A)
S4M  A 301 (-3.9A)
 0.76A 4b17A-4yv2A:
10.6		 4b17A-4yv2A:
21.20
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.
5a0k LABDANE-RELATED
DITERPENE SYNTHASE

(Streptomyces
sp.) 		no annotation 5 GLY A  96
PRO A 102
GLY A 101
GLY A 100
ASP A  91
 None
 1.13A 4b17A-5a0kA:
undetectable		 4b17A-5a0kA:
23.12
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 GLY A1670
GLY A1674
GLY A1675
ASP A1762
MET A1763
 None
 0.79A 4b17A-5a22A:
10.9		 4b17A-5a22A:
10.07
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.
5avp L-RIBOSE ISOMERASE

(Geodermatophilus
obscurus) 		no annotation 5 CYH A 196
PRO A 103
GLY A 104
MET A  67
VAL A  68
 None
 1.12A 4b17A-5avpA:
undetectable		 4b17A-5avpA:
20.80
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.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		7 SER A  56
GLY A  81
GLY A  85
GLY A  86
TRP A  87
ASP A 131
ASP A 146
 SAM  A 301 (-2.7A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 4.4A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.8A)
 0.65A 4b17A-5e9qA:
12.5		 4b17A-5e9qA:
21.15
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.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		5 GLY A 110
GLY A 426
GLY A 425
ASP A 109
ASP A 115
 None
 0.96A 4b17A-5g5zA:
undetectable		 4b17A-5g5zA:
19.67
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.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		7 SER A  56
GLY A  81
GLY A  85
GLY A  86
TRP A  87
ASP A 131
ASP A 146
 SAM  A 311 ( 2.7A)
SAM  A 311 (-3.2A)
SAM  A 311 ( 4.5A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.5A)
MLT  A 313 ( 2.6A)
SAM  A 311 (-3.8A)
 0.68A 4b17A-5ikmA:
12.4		 4b17A-5ikmA:
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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		7 SER A  56
GLY A  81
GLY A  85
GLY A  86
TRP A  87
ASP A 131
ASP A 146
 SAH  A1003 (-2.7A)
SAH  A1003 (-3.4A)
SAH  A1003 ( 4.6A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.4A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.8A)
 0.60A 4b17A-5jjrA:
12.5		 4b17A-5jjrA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 5 GLY A  45
PRO A  59
GLY A  60
GLY A  61
VAL A  40
 None
 0.91A 4b17A-5mu5A:
3.2		 4b17A-5mu5A:
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.
5n4a INTRAFLAGELLAR
TRANSPORT PROTEIN 80

(Chlamydomonas
reinhardtii) 		no annotation 5 SER A 270
GLY A 204
GLY A 245
GLY A 246
VAL A 188
 GOL  A 805 (-3.7A)
None
None
None
GOL  A 806 ( 4.8A)
 0.85A 4b17A-5n4aA:
undetectable		 4b17A-5n4aA:
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 7 SER A  56
GLY A  81
GLY A  85
GLY A  86
TRP A  87
ASP A 131
ASP A 146
 SAH  A1001 (-2.6A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 4.3A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.5A)
SAH  A1001 (-3.9A)
SAH  A1001 (-3.7A)
 0.78A 4b17A-5njuA:
12.9		 4b17A-5njuA:
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.
5thz CURJ

(Moorea
producens) 		no annotation 5 GLY B 205
GLY B 209
GLY B 210
ASP B 230
ASP B 255
 SAH  B 501 (-3.5A)
SAH  B 501 ( 4.6A)
SAH  B 501 (-3.4A)
SAH  B 501 (-2.7A)
SAH  B 501 (-3.9A)
 0.68A 4b17A-5thzB:
8.8		 4b17A-5thzB:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		7 SER A  56
GLY A  81
GLY A  85
GLY A  86
TRP A  87
ASP A 131
ASP A 146
 SAH  A1001 (-2.5A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 4.9A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.8A)
 0.80A 4b17A-5tmhA:
14.3		 4b17A-5tmhA:
17.81
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.
5umf RIBULOSE-PHOSPHATE
3-EPIMERASE

(Neisseria
gonorrhoeae) 		PF00834
(Ribul_P_3_epim) 		5 GLY A 145
GLY A 146
ASP A  36
ASP A  65
VAL A 179
 PO4  A 302 (-3.6A)
PO4  A 302 (-3.7A)
ZN  A 301 (-2.5A)
None
None
 1.04A 4b17A-5umfA:
undetectable		 4b17A-5umfA:
21.51
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.
5wwt PUTATIVE
METHYLTRANSFERASE
NSUN6

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		6 PRO A 245
GLY A 246
GLY A 247
ASP A 266
ASP A 293
ASP A 323
 C  C  72 ( 4.7A)
None
None
None
None
C  C  72 ( 2.8A)
 0.72A 4b17A-5wwtA:
9.6		 4b17A-5wwtA:
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.
5yo8 TETRAPRENYL-BETA-CUR
CUMENE SYNTHASE

(Bacillus
alcalophilus) 		no annotation 5 GLY A  63
GLY A  59
GLY A  58
ASP A  68
VAL A   3
 None
 1.09A 4b17A-5yo8A:
undetectable		 4b17A-5yo8A:
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.
6co0 STYRYLPYRONE
SYNTHASE 1

(Piper
methysticum) 		no annotation 5 GLY A 375
CYH A 164
GLY A 166
GLY A 168
VAL A 276
 None
WCA  A 801 (-3.6A)
None
None
None
 1.11A 4b17A-6co0A:
undetectable		 4b17A-6co0A:
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.
6d6y APRA
METHYLTRANSFERASE 2

(Moorea
bouillonii) 		no annotation 5 GLY A 837
GLY A 841
GLY A 842
ASP A 864
ASP A 889
 SAH  A1102 (-3.5A)
None
SAH  A1102 ( 4.9A)
SAH  A1102 (-2.4A)
SAH  A1102 (-3.5A)
 0.65A 4b17A-6d6yA:
9.5		 4b17A-6d6yA:
undetectable