SIMILAR PATTERNS OF AMINO ACIDS FOR 5WZ1_A_SAMA601_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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		5 GLY A  59
GLY A  64
TRP A  65
ASP A  99
ASP A 124
 SAM  A 301 (-3.6A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
 0.43A 5wz1A-1eizA:
14.6		 5wz1A-1eizA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jax CONSERVED
HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF03807
(F420_oxidored) 		5 GLY A  30
GLY A   8
HIS A  25
VAL A 164
ILE A  67
 None
 0.97A 5wz1A-1jaxA:
4.0		 5wz1A-1jaxA:
21.53
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.
1jjf ENDO-1,4-BETA-XYLANA
SE Z

(Ruminiclostridium
thermocellum) 		PF00756
(Esterase) 		5 GLY A 174
GLY A 182
GLY A 170
LYS A 188
ASP A 187
 None
 0.99A 5wz1A-1jjfA:
undetectable		 5wz1A-1jjfA:
23.82
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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 336
GLY A 156
GLY A 180
THR A 158
ILE A 152
 None
None
NAD  A1250 (-3.4A)
NAD  A1250 (-3.0A)
None
 0.95A 5wz1A-1lluA:
4.6		 5wz1A-1lluA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ltm 36 KDA SOLUBLE LYTIC
TRANSGLYCOSYLASE

(Escherichia
coli) 		PF13406
(SLT_2) 		5 GLY A 170
GLY A 224
GLY A 215
VAL A 256
ILE A 159
 None
 0.95A 5wz1A-1ltmA:
undetectable		 5wz1A-1ltmA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q50 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Leishmania
mexicana) 		PF00342
(PGI) 		5 GLY A 206
GLY A 210
GLU A 545
ASP A 457
VAL A 390
 None
 0.93A 5wz1A-1q50A:
undetectable		 5wz1A-1q50A:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r5n EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
GTP-BINDING SUBUNIT

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		5 GLY A 250
GLY A 256
ASP A 266
VAL A 265
ILE A 273
 GDP  A 663 (-2.9A)
None
None
None
None
 0.91A 5wz1A-1r5nA:
undetectable		 5wz1A-1r5nA:
19.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		12 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
GLU A 111
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A 887 (-3.0A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-4.5A)
SO4  A 902 (-2.7A)
SO4  A 901 ( 3.9A)
None
SAH  A 887 ( 3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-3.9A)
SAH  A 887 ( 4.2A)
 0.89A 5wz1A-1r6aA:
40.0		 5wz1A-1r6aA:
58.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rpn GDP-MANNOSE
4,6-DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A 212
ASP A 215
VAL A 214
ASP A 274
ILE A 273
 GDP  A1601 (-3.3A)
None
None
None
None
 0.91A 5wz1A-1rpnA:
4.7		 5wz1A-1rpnA:
24.15
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.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG

(Bacillus
subtilis) 		PF05343
(Peptidase_M42) 		5 GLY A 297
GLY A 239
GLY A 299
THR A 318
ASP A 335
 None
 0.93A 5wz1A-1vheA:
undetectable		 5wz1A-1vheA:
21.53
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.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 GLY A 301
GLY A 299
VAL A 472
ASP A 407
ILE A 408
 None
 1.03A 5wz1A-1vjsA:
undetectable		 5wz1A-1vjsA:
19.96
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.
1wii HYPOTHETICAL UPF0222
PROTEIN MGC4549

(Mus musculus) 		PF05129
(Elf1) 		5 GLY A  46
ASP A  73
VAL A  70
ASP A  40
ILE A  61
 None
 1.03A 5wz1A-1wiiA:
undetectable		 5wz1A-1wiiA:
14.73
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.
2c1h DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Prosthecochloris
vibrioformis) 		PF00490
(ALAD) 		5 GLY A 175
GLY A 178
ASP A 270
VAL A 271
ASP A 242
 None
None
None
None
MG  A1329 ( 3.8A)
 0.98A 5wz1A-2c1hA:
undetectable		 5wz1A-2c1hA:
23.05
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.
2drm ACANTHAMOEBA MYOSIN
IB

(Acanthamoeba) 		PF00018
(SH3_1) 		5 GLY A  38
GLY A  42
TRP A  40
GLU A  20
ILE A  29
 None
 1.01A 5wz1A-2drmA:
undetectable		 5wz1A-2drmA:
12.25
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.
2iu4 DIHYDROXYACETONE
KINASE

(Lactococcus
lactis) 		PF02733
(Dak1) 		5 GLY A 324
GLY A  60
THR A 323
HIS A 331
GLU A 330
 None
 0.94A 5wz1A-2iu4A:
undetectable		 5wz1A-2iu4A:
22.71
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A  30
TRP A  36
ASP A  79
VAL A  80
ASP A 104
 SAM  A 201 (-3.5A)
SAM  A 201 (-3.9A)
SAM  A 201 (-3.3A)
SAM  A 201 (-3.9A)
SAM  A 201 (-3.7A)
 0.42A 5wz1A-2nyuA:
14.0		 5wz1A-2nyuA:
25.62
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.
2okj GLUTAMATE
DECARBOXYLASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 GLY A 351
GLY A 379
GLY A 346
TRP A 376
ILE A 480
 None
 0.98A 5wz1A-2okjA:
undetectable		 5wz1A-2okjA:
18.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		8 GLY A  59
GLY A  82
GLY A  87
TRP A  88
THR A 105
GLU A 112
ASP A 132
ASP A 147
 SAM  A 300 (-3.1A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.2A)
SAM  A 300 (-3.8A)
SAM  A 300 (-4.6A)
None
SAM  A 300 (-3.9A)
SAM  A 300 (-3.9A)
 0.44A 5wz1A-2oxtA:
39.5		 5wz1A-2oxtA:
50.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		8 GLY A  59
GLY A  82
GLY A  87
TRP A  88
THR A 105
HIS A 111
GLU A 112
ASP A 147
 SAM  A 300 (-3.1A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.2A)
SAM  A 300 (-3.8A)
SAM  A 300 (-4.6A)
SAM  A 300 (-3.6A)
None
SAM  A 300 (-3.9A)
 0.44A 5wz1A-2oxtA:
39.5		 5wz1A-2oxtA:
50.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		12 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
GLU A 111
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.7A)
SAH  A 301 (-4.4A)
None
SAH  A 301 (-4.4A)
SAH  A 301 (-3.5A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 0.68A 5wz1A-2oy0A:
40.1		 5wz1A-2oy0A:
68.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pes URICASE

(Aspergillus
flavus) 		PF01014
(Uricase) 		5 GLY A 137
GLY A 139
HIS A  86
GLU A  89
VAL A  36
 None
 1.00A 5wz1A-2pesA:
undetectable		 5wz1A-2pesA:
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.
2pi5 DNA-DIRECTED RNA
POLYMERASE

(Escherichia
virus T7) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		5 GLY A 152
HIS A 161
GLU A 158
ASP A  13
ILE A  14
 None
 0.94A 5wz1A-2pi5A:
undetectable		 5wz1A-2pi5A:
14.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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) 		9 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 131
VAL A 132
ASP A 146
 SAH  A 500 (-3.3A)
SAH  A 500 (-3.4A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
SAH  A 500 ( 3.2A)
SAH  A 500 (-3.5A)
SAH  A 500 (-3.6A)
SAH  A 500 (-3.6A)
 0.61A 5wz1A-2px5A:
41.7		 5wz1A-2px5A:
66.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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) 		10 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
HIS A 110
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A 500 (-3.3A)
SAH  A 500 (-3.4A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
SAH  A 500 (-3.9A)
SAH  A 500 (-3.5A)
SAH  A 500 (-3.6A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 0.49A 5wz1A-2px5A:
41.7		 5wz1A-2px5A:
66.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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) 		10 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
VAL A 132
ASP A 146
ILE A 147
 SAH  A 500 (-3.3A)
SAH  A 500 (-3.4A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
None
SAH  A 500 (-3.9A)
SAH  A 500 (-3.6A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 0.79A 5wz1A-2px5A:
41.7		 5wz1A-2px5A:
66.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		10 GLY A  59
GLY A  82
TRP A  88
THR A 105
HIS A 111
GLU A 112
ASP A 132
VAL A 133
ASP A 147
ILE A 148
 SAM  A1248 ( 3.7A)
SAM  A1248 (-3.3A)
SAM  A1248 (-3.7A)
SAM  A1248 (-4.5A)
SAM  A1248 (-3.8A)
None
SAM  A1248 (-3.6A)
SAM  A1248 (-3.4A)
SAM  A1248 (-3.7A)
SAM  A1248 ( 4.0A)
 0.52A 5wz1A-2wa2A:
32.9		 5wz1A-2wa2A:
52.50
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.
2wu8 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00342
(PGI) 		5 GLY A 159
GLY A 163
GLU A 490
ASP A 404
VAL A 337
 None
 0.93A 5wz1A-2wu8A:
undetectable		 5wz1A-2wu8A:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x26 PERIPLASMIC
ALIPHATIC
SULPHONATES-BINDING
PROTEIN

(Escherichia
coli) 		PF09084
(NMT1) 		5 GLY A 223
GLY A 316
THR A 312
GLU A 220
ILE A 226
 None
 1.01A 5wz1A-2x26A:
undetectable		 5wz1A-2x26A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xz3 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ENVELOPE
GLYCOPROTEIN

(Escherichia
coli;
Bovine leukemia
virus) 		PF00429
(TLV_coat)
PF13416
(SBP_bac_8) 		5 GLY A 286
LYS A 323
ASP A 322
VAL A 319
ILE A  37
 None
 0.99A 5wz1A-2xz3A:
undetectable		 5wz1A-2xz3A:
18.97
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.
2yms OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Escherichia
coli) 		PF13360
(PQQ_2) 		5 GLY A 149
GLY A 113
LYS A  62
GLU A 127
ILE A 124
 None
 1.01A 5wz1A-2ymsA:
undetectable		 5wz1A-2ymsA:
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.
2yxd PROBABLE
COBALT-PRECORRIN-6Y
C(15)-METHYLTRANSFER
ASE
[DECARBOXYLATING]

(Methanocaldococcus
jannaschii) 		PF13847
(Methyltransf_31) 		5 GLY A  68
GLY A  90
VAL A  95
ASP A  64
ILE A  63
 None
 1.03A 5wz1A-2yxdA:
9.6		 5wz1A-2yxdA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bpu MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00595
(PDZ) 		5 GLY A 649
ASP A 684
VAL A 668
ASP A 673
ILE A 671
 None
 0.87A 5wz1A-3bpuA:
undetectable		 5wz1A-3bpuA:
15.36
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.
3cne PUTATIVE PROTEASE I

(Bacteroides
thetaiotaomicron) 		PF01965
(DJ-1_PfpI) 		5 GLY A 125
GLY A 141
THR A 156
ASP A 151
ILE A 150
 None
 1.00A 5wz1A-3cneA:
2.2		 5wz1A-3cneA:
19.50
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 GLY A  46
GLY A  51
TRP A  52
ASP A  83
ASP A 111
 SAM  A   1 (-3.5A)
SAM  A   1 (-3.2A)
SAM  A   1 (-4.0A)
SAM  A   1 (-3.6A)
SAM  A   1 (-3.7A)
 0.50A 5wz1A-3douA:
13.8		 5wz1A-3douA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
HIS A 110
GLU A 111
VAL A 132
ASP A 146
ILE A 147
 SAM  A4633 ( 3.7A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.5A)
SAM  A4633 (-4.5A)
SAM  A4633 (-3.6A)
None
SAM  A4633 (-3.4A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.72A 5wz1A-3eluA:
39.3		 5wz1A-3eluA:
53.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 131
ASP A 146
 SAH  A 901 (-3.2A)
SAH  A 901 (-3.4A)
SAH  A 901 (-3.1A)
SAH  A 901 (-3.6A)
SAH  A 901 (-4.5A)
SAH  A 901 (-3.1A)
SAH  A 901 (-3.7A)
SAH  A 901 (-3.8A)
 0.68A 5wz1A-3evcA:
41.5		 5wz1A-3evcA:
52.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		9 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
HIS A 110
ASP A 131
ASP A 146
ILE A 147
 SAH  A 901 (-3.2A)
SAH  A 901 (-3.4A)
SAH  A 901 (-3.1A)
SAH  A 901 (-3.6A)
SAH  A 901 (-4.5A)
SAH  A 901 (-3.8A)
SAH  A 901 (-3.7A)
SAH  A 901 (-3.8A)
SAH  A 901 ( 4.2A)
 0.33A 5wz1A-3evcA:
41.5		 5wz1A-3evcA:
52.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		6 GLY A  86
TRP A  87
HIS A 110
ASP A 131
ASP A 146
ILE A 147
 SAH  A 901 (-3.1A)
SAH  A 901 (-3.6A)
SAH  A 901 (-3.8A)
SAH  A 901 (-3.7A)
SAH  A 901 (-3.8A)
SAH  A 901 ( 4.2A)
 1.44A 5wz1A-3evcA:
41.5		 5wz1A-3evcA:
52.90
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.
3ffr PHOSPHOSERINE
AMINOTRANSFERASE
SERC

(Cytophaga
hutchinsonii) 		PF00266
(Aminotran_5) 		5 GLY A 193
GLY A  10
GLU A  13
ASP A 257
VAL A 254
 LLP  A 190 ( 3.6A)
LLP  A 190 ( 3.9A)
None
None
None
 0.97A 5wz1A-3ffrA:
3.3		 5wz1A-3ffrA:
19.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
HIS A 110
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAM  A4633 (-3.5A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.5A)
SAM  A4633 (-3.5A)
SAM  A4633 (-3.7A)
SAM  A4633 (-3.6A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.45A 5wz1A-3gczA:
41.5		 5wz1A-3gczA:
54.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
HIS A 110
GLU A 111
VAL A 132
ASP A 146
ILE A 147
 SAM  A4633 (-3.5A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.5A)
SAM  A4633 (-3.5A)
None
SAM  A4633 (-3.6A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.65A 5wz1A-3gczA:
41.5		 5wz1A-3gczA:
54.42
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.
3gd5 ORNITHINE
CARBAMOYLTRANSFERASE

(Gloeobacter
violaceus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		6 GLY A  48
GLY A 106
GLY A  75
ASP A  15
ASP A 105
ILE A 126
 None
 1.27A 5wz1A-3gd5A:
3.6		 5wz1A-3gd5A:
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.
3h41 NLP/P60 FAMILY
PROTEIN

(Bacillus cereus) 		PF00877
(NLPC_P60) 		5 GLY A 235
GLY A 218
GLY A 233
THR A 217
ILE A 302
 None
 0.86A 5wz1A-3h41A:
undetectable		 5wz1A-3h41A:
21.28
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.
3kuu PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
PURE

(Yersinia pestis) 		PF00731
(AIRC) 		5 GLY A 122
GLY A  95
LYS A  14
HIS A  69
VAL A  40
 None
 0.96A 5wz1A-3kuuA:
undetectable		 5wz1A-3kuuA:
21.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		12 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
GLU A 111
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SFG  A 301 (-2.9A)
SFG  A 301 (-3.5A)
SFG  A 301 (-3.4A)
SFG  A 301 (-3.7A)
SFG  A 301 ( 4.7A)
None
SFG  A 301 (-3.9A)
SFG  A 301 (-3.7A)
SFG  A 301 (-3.1A)
SFG  A 301 (-4.1A)
SFG  A 301 (-3.8A)
SFG  A 301 (-4.1A)
 0.61A 5wz1A-3lkzA:
41.7		 5wz1A-3lkzA:
61.32
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.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 606
HIS A 513
GLU A 514
ASP A 533
ASP A 561
 EDO  A 622 ( 4.4A)
None
None
None
None
 1.04A 5wz1A-3mosA:
undetectable		 5wz1A-3mosA:
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.
3n94 FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND PITUITARY
ADENYLATE CYCLASE 1
RECEPTOR-SHORT

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		5 GLY A -88
LYS A -51
ASP A -52
VAL A -55
ILE A-337
 None
 1.03A 5wz1A-3n94A:
undetectable		 5wz1A-3n94A:
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.
3nx4 PUTATIVE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 317
GLY A 128
GLY A 157
THR A 130
ILE A 124
 None
None
NAP  A 330 (-3.2A)
NAP  A 330 (-3.3A)
None
 1.03A 5wz1A-3nx4A:
3.5		 5wz1A-3nx4A:
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.
3oai MALTOSE-BINDING
PERIPLASMIC PROTEIN,
MYELIN PROTEIN P0

(Escherichia
coli;
Homo sapiens) 		PF07686
(V-set)
PF13416
(SBP_bac_8) 		5 GLY A 260
LYS A 297
ASP A 296
VAL A 293
ILE A  11
 None
 1.02A 5wz1A-3oaiA:
undetectable		 5wz1A-3oaiA:
18.55
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.
3pea ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 GLY A  62
GLY A  84
GLY A 110
THR A  87
HIS A  32
 None
 0.66A 5wz1A-3peaA:
undetectable		 5wz1A-3peaA:
22.93
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.
3pmq DECAHEME CYTOCHROME
C MTRF

(Shewanella
oneidensis) 		no annotation 5 GLY A 625
GLY A 556
GLY A 627
THR A 555
ILE A 557
 None
 1.04A 5wz1A-3pmqA:
undetectable		 5wz1A-3pmqA:
15.85
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.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A  66
GLY A  70
LYS A 102
ASP A 156
ASP A 178
 SAM  A 670 (-3.5A)
SAM  A 670 ( 4.5A)
SAM  A 670 (-4.9A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.4A)
 0.90A 5wz1A-3ps9A:
5.4		 5wz1A-3ps9A:
17.41
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		6 GLY A  66
GLY A  70
LYS A 102
ASP A 156
VAL A 157
ASP A 178
 None
 0.93A 5wz1A-3pvcA:
4.0		 5wz1A-3pvcA:
16.43
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.
3r8e HYPOTHETICAL SUGAR
KINASE

(Cytophaga
hutchinsonii) 		PF00480
(ROK) 		5 GLY A 115
GLY A  62
GLY A 290
GLU A 106
ILE A 298
 None
 0.79A 5wz1A-3r8eA:
undetectable		 5wz1A-3r8eA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3soe MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		no annotation 5 GLY A 609
ASP A 642
VAL A 626
ASP A 631
ILE A 629
 None
 0.99A 5wz1A-3soeA:
undetectable		 5wz1A-3soeA:
18.94
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.
3wmy EXTRACELLULAR
EXO-ALPHA-L-ARABINOF
URANOSIDASE

(Streptomyces
coelicolor) 		PF03664
(Glyco_hydro_62) 		6 GLY A 382
GLY A 385
HIS A 427
GLU A 361
ASP A 429
ILE A 377
 None
None
CA  A 501 ( 3.6A)
TRS  A 503 (-2.9A)
None
None
 1.46A 5wz1A-3wmyA:
undetectable		 5wz1A-3wmyA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		5 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.78A 5wz1A-4aukA:
12.8		 5wz1A-4aukA:
19.16
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.
4e4t PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Burkholderia
ambifaria) 		PF02222
(ATP-grasp) 		5 GLY A 161
GLY A 166
HIS A 130
GLU A 191
ILE A 114
 None
 1.03A 5wz1A-4e4tA:
undetectable		 5wz1A-4e4tA:
21.36
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.
4exr PUTATIVE LIPOPROTEIN

(Clostridioides
difficile) 		PF03413
(PepSY) 		6 GLY A 132
GLY A  99
GLU A 137
VAL A  97
ASP A  80
ILE A  81
 None
 1.24A 5wz1A-4exrA:
undetectable		 5wz1A-4exrA:
19.29
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		5 GLY A  63
GLY A  68
LYS A  86
ASP A 111
VAL A 112
 ACT  A 402 (-3.4A)
None
None
None
None
 0.84A 5wz1A-4gc5A:
8.0		 5wz1A-4gc5A:
20.63
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.
4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 328
GLY A 147
GLY A 171
THR A 149
ILE A 143
 None
None
NAD  A 401 (-3.2A)
NAD  A 401 (-3.3A)
None
 0.96A 5wz1A-4gkvA:
3.6		 5wz1A-4gkvA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ikh GLUTATHIONE
S-TRANSFERASE

(Pseudomonas
protegens) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 GLY A 134
GLY A 131
ASP A 165
VAL A 211
ILE A 205
 None
GSH  A 303 (-3.3A)
None
None
None
 0.87A 5wz1A-4ikhA:
undetectable		 5wz1A-4ikhA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		9 GLY A  58
GLY A  81
GLY A  86
THR A 104
HIS A 110
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.2A)
SAH  A1001 (-4.7A)
SAH  A1001 ( 3.6A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.39A 5wz1A-4k6mA:
41.4		 5wz1A-4k6mA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  86
THR A 104
HIS A 110
GLU A 111
VAL A 132
ASP A 146
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.2A)
SAH  A1001 (-4.7A)
SAH  A1001 ( 3.6A)
SO4  A1011 (-4.9A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
 0.71A 5wz1A-4k6mA:
41.4		 5wz1A-4k6mA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		9 GLY A  58
GLY A  81
GLY A  86
THR A 104
LYS A 105
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.2A)
SAH  A1001 (-4.7A)
None
SAH  A1001 (-3.7A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.55A 5wz1A-4k6mA:
41.4		 5wz1A-4k6mA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		9 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
HIS A 110
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.7A)
SAH  A1001 ( 3.6A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.59A 5wz1A-4k6mA:
41.4		 5wz1A-4k6mA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lfn GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
A
GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
B

(Lactobacillus
rhamnosus;
Lactobacillus
rhamnosus) 		PF02502
(LacAB_rpiB)
PF02502
(LacAB_rpiB) 		5 GLY B  46
GLY B  66
THR B  67
HIS A  96
ILE B  10
 None
RBL  B 201 (-3.4A)
RBL  B 201 (-3.4A)
RBL  B 201 (-3.7A)
RBL  B 201 (-4.1A)
 0.94A 5wz1A-4lfnB:
undetectable		 5wz1A-4lfnB:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 339
GLY A 155
GLY A 180
THR A 157
ILE A 151
 None
None
8ID  A 403 (-3.0A)
8ID  A 403 (-2.9A)
None
 1.01A 5wz1A-4w6zA:
4.1		 5wz1A-4w6zA:
21.75
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.
4xcq TUBZ

(Clostridium
phage c-st) 		PF00091
(Tubulin) 		5 GLY A  57
GLY A 101
GLY A  59
THR A  95
ILE A  10
 None
GDP  A 401 (-3.3A)
None
GDP  A 401 (-3.0A)
None
 0.90A 5wz1A-4xcqA:
2.6		 5wz1A-4xcqA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a1n BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE
AMINOACYL TRNA
SYNTHASE
COMPLEX-INTERACTING
MULTIFUNCTIONAL
PROTEIN 2

(Homo sapiens;
Homo sapiens) 		PF00043
(GST_C)
PF00043
(GST_C) 		5 GLY B 211
GLY B 209
VAL A 113
ASP A  79
ILE A  78
 None
 0.96A 5wz1A-5a1nB:
undetectable		 5wz1A-5a1nB:
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		6 GLY A 111
GLY A 115
ASP A 163
VAL A 164
ASP A 181
ILE A 182
 SAH  A 301 (-3.2A)
SAH  A 301 (-3.9A)
SAH  A 301 (-2.7A)
SAH  A 301 (-4.0A)
SAH  A 301 (-2.4A)
SAH  A 301 ( 3.8A)
 0.90A 5wz1A-5ccxA:
8.8		 5wz1A-5ccxA:
22.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		11 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAM  A 301 (-3.2A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.6A)
None
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.8A)
SAM  A 301 ( 4.2A)
 0.36A 5wz1A-5e9qA:
41.7		 5wz1A-5e9qA:
65.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		11 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
GLU A 111
ASP A 131
VAL A 132
ASP A 146
 SAM  A 301 (-3.2A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.6A)
None
SAM  A 301 ( 3.7A)
SAM  A 301 ( 3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.8A)
 0.64A 5wz1A-5e9qA:
41.7		 5wz1A-5e9qA:
65.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		7 GLY A  86
TRP A  87
LYS A 105
HIS A 110
ASP A 131
ASP A 146
ILE A 147
 SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
None
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.8A)
SAM  A 301 ( 4.2A)
 1.44A 5wz1A-5e9qA:
41.7		 5wz1A-5e9qA:
65.25
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.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		5 GLY B 118
GLY B 122
ASP B 168
VAL B 169
ASP B 203
 SAM  B 401 (-3.4A)
SAM  B 401 (-3.9A)
SAM  B 401 (-3.5A)
SAM  B 401 (-3.7A)
SAM  B 401 (-3.3A)
 1.02A 5wz1A-5ergB:
8.6		 5wz1A-5ergB:
22.76
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.
5ghf AMINOTRANSFERASE
CLASS-III

(Ochrobactrum
anthropi) 		PF00202
(Aminotran_3) 		5 GLY A 272
GLY A 263
GLU A 225
VAL A 125
ILE A 256
 None
None
PMP  A 501 (-3.9A)
None
None
 0.91A 5wz1A-5ghfA:
undetectable		 5wz1A-5ghfA:
18.97
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.
5gp4 GLUTAMATE
DECARBOXYLASE

(Lactobacillus
brevis) 		no annotation 5 GLY C 288
GLY C 329
GLY C 277
TRP C 289
ILE C 328
 None
 0.86A 5wz1A-5gp4C:
undetectable		 5wz1A-5gp4C:
19.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		12 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
GLU A 111
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAM  A 311 (-3.3A)
SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.5A)
SAM  A 311 (-4.5A)
MLT  A 313 ( 3.0A)
SAM  A 311 (-4.1A)
None
MLT  A 313 ( 2.6A)
SAM  A 311 (-3.7A)
SAM  A 311 (-3.8A)
SAM  A 311 ( 4.3A)
 0.71A 5wz1A-5ikmA:
41.0		 5wz1A-5ikmA:
60.73
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.
5j72 PUTATIVE
N-ACETYLMURAMOYL-L-A
LANINE
AMIDASE,AUTOLYSIN
CWP6

(Clostridioides
difficile) 		PF01520
(Amidase_3)
PF04122
(CW_binding_2) 		5 GLY A 278
GLY A 179
GLY A 275
VAL A 171
ILE A 387
 None
 0.92A 5wz1A-5j72A:
undetectable		 5wz1A-5j72A:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLY L 163
GLY L 457
GLY L 166
VAL L  58
ILE L 453
 FAD  L 503 (-3.2A)
None
None
None
SF4  L 501 ( 4.4A)
 1.03A 5wz1A-5jfcL:
3.8		 5wz1A-5jfcL:
20.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		11 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A1003 (-3.2A)
SAH  A1003 (-3.4A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.4A)
SAH  A1003 (-4.6A)
SAH  A1003 (-4.8A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.8A)
SAH  A1003 ( 4.3A)
 0.49A 5wz1A-5jjrA:
41.2		 5wz1A-5jjrA:
63.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
GLU A 111
VAL A 132
ASP A 146
 SAH  A1003 (-3.2A)
SAH  A1003 (-3.4A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.4A)
SAH  A1003 (-4.6A)
SAH  A1003 (-4.8A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.3A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.8A)
 0.71A 5wz1A-5jjrA:
41.2		 5wz1A-5jjrA:
63.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		7 GLY A  58
TRP A  87
LYS A 105
HIS A 110
ASP A 131
ASP A 146
ILE A 147
 SAH  A1003 (-3.2A)
SAH  A1003 (-3.4A)
SAH  A1003 (-4.8A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.8A)
SAH  A1003 ( 4.3A)
 1.50A 5wz1A-5jjrA:
41.2		 5wz1A-5jjrA:
63.04
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.
5l5n PLEXIN-A4

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		5 GLY A 420
GLY A 298
GLU A 416
VAL A 293
ILE A 366
 GLY  A 420 ( 0.0A)
GLY  A 298 ( 0.0A)
GLU  A 416 ( 0.5A)
VAL  A 293 ( 0.6A)
ILE  A 366 ( 0.6A)
 0.98A 5wz1A-5l5nA:
undetectable		 5wz1A-5l5nA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 6 GLY A 612
GLY A 623
TRP A 628
THR A 615
VAL A 684
ILE A 610
 None
 1.49A 5wz1A-5m41A:
undetectable		 5wz1A-5m41A:
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 10 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
HIS A 110
GLU A 111
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.4A)
SAH  A1001 (-4.0A)
None
SAH  A1001 (-3.6A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.2A)
 0.60A 5wz1A-5njuA:
42.9		 5wz1A-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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 10 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
LYS A 105
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.4A)
None
SAH  A1001 (-3.9A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.2A)
 0.57A 5wz1A-5njuA:
42.9		 5wz1A-5njuA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  86
TRP A  87
THR A 104
HIS A 110
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-3.2A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.5A)
SAH  A1001 ( 4.9A)
SAH  A1001 (-3.6A)
SAH  A1001 (-4.0A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.8A)
SAH  A1001 ( 4.8A)
 0.32A 5wz1A-5tmhA:
42.8		 5wz1A-5tmhA:
94.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		7 GLY A  58
GLY A  86
TRP A  87
HIS A 110
GLU A 111
ASP A 131
VAL A 132
 SAH  A1001 (-3.2A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.5A)
SAH  A1001 (-3.6A)
None
SAH  A1001 (-4.0A)
SAH  A1001 (-4.0A)
 0.81A 5wz1A-5tmhA:
42.8		 5wz1A-5tmhA:
94.93
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.
5tok SINGLE-DOMAIN
ANTIBODY F-VHH-L66

(Lama glama) 		PF07686
(V-set) 		5 GLY D 100
GLY D  35
GLY D 100
VAL D  78
ILE D  51
 None
 1.00A 5wz1A-5tokD:
undetectable		 5wz1A-5tokD:
17.75
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.
5u4q DTDP-GLUCOSE
4,6-DEHYDRATASE

(Klebsiella
pneumoniae) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A 183
GLY A  13
GLY A 186
VAL A   5
ILE A  16
 CL  A 402 (-4.3A)
None
CL  A 402 ( 4.4A)
None
None
 0.83A 5wz1A-5u4qA:
6.1		 5wz1A-5u4qA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ubj ALPHA-L-ARABINOFURAN
OSIDASE AXHA-2

(Aspergillus
nidulans) 		PF03664
(Glyco_hydro_62) 		6 GLY A 233
GLY A 236
HIS A 278
GLU A 210
ASP A 280
ILE A 228
 None
None
CA  A 401 (-3.7A)
CA  A 403 ( 4.2A)
None
None
 1.46A 5wz1A-5ubjA:
undetectable		 5wz1A-5ubjA:
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.
5upy INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Listeria
monocytogenes) 		PF00478
(IMPDH) 		5 GLY A 348
GLY A 444
GLY A 438
HIS A 453
ASP A  24
 None
 0.99A 5wz1A-5upyA:
undetectable		 5wz1A-5upyA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uxb MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH

(Brachybacterium
faecium) 		PF01636
(APH) 		5 GLY A 256
GLY A 184
TRP A 254
GLU A 263
ASP A 158
 None
 0.97A 5wz1A-5uxbA:
undetectable		 5wz1A-5uxbA:
22.01
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLY A 163
GLY A 458
GLY A 166
VAL A  58
ILE A 454
 FAD  A 503 (-3.4A)
None
None
None
SF4  A 501 ( 4.3A)
 1.01A 5wz1A-5vj7A:
undetectable		 5wz1A-5vj7A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z0r EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY
1,VIRAL GENOME
PROTEIN

(Escherichia
coli) 		no annotation 5 GLY A 261
LYS A 298
ASP A 297
VAL A 294
ILE A  12
 MAL  A 501 ( 4.8A)
None
None
None
None
 1.01A 5wz1A-5z0rA:
undetectable		 5wz1A-5z0rA:
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.
6amn HEAT SHOCK PROTEIN
104

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 212
GLY A 314
THR A 317
GLU A 285
ILE A 216
 None
 1.03A 5wz1A-6amnA:
undetectable		 5wz1A-6amnA:
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.
6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA

(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		no annotation
no annotation 		5 GLY J  37
GLY J  33
VAL L 150
ASP J  39
ILE J  40
 SF4  J 201 ( 4.6A)
None
None
None
None
 0.98A 5wz1A-6cfwJ:
undetectable		 5wz1A-6cfwJ:
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.
6day DIHYDROPTEROATE
SYNTHASE

(Xanthomonas
albilineans) 		no annotation 5 GLY A  24
HIS A 249
ASP A 264
ASP A  61
ILE A  25
 None
None
None
None
SO4  A 403 (-4.3A)
 0.84A 5wz1A-6dayA:
undetectable		 5wz1A-6dayA:
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 GLY A 732
GLY A 440
GLY A 617
GLU A 414
VAL A 427
 None
 0.83A 5wz1A-6fikA:
undetectable		 5wz1A-6fikA:
undetectable