SIMILAR PATTERNS OF AMINO ACIDS FOR 5NJV_D_SAMD301

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.
1bbp BILIN BINDING
PROTEIN

(Pieris
brassicae) 		PF00061
(Lipocalin) 		5 GLY A  25
TRP A  27
LYS A  84
ASP A  16
VAL A  15
 None
 0.95A 5njvD-1bbpA:
undetectable		 5njvD-1bbpA:
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.
1ffv CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE
CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava;
Hydrogenophaga
pseudoflava) 		PF00111
(Fer2)
PF01799
(Fer2_2)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A  98
GLY B 695
GLY A 140
THR B 698
ILE B 693
 None
ARO  B 384 ( 3.9A)
None
None
None
 0.91A 5njvD-1ffvA:
undetectable		 5njvD-1ffvA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		5 GLY A 199
GLY A 252
GLY A 195
TRP A 193
ASP A 248
 None
None
None
GOL  A 530 (-4.2A)
None
 1.02A 5njvD-1kfwA:
0.0		 5njvD-1kfwA:
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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		5 GLY A 387
GLY A 129
GLY A 366
THR A 131
ILE A 156
 None
None
None
XPL  A 202 ( 4.5A)
None
 0.74A 5njvD-1l2qA:
0.0		 5njvD-1l2qA:
20.95
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  83
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 (-3.6A)
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)
 0.64A 5njvD-1r6aA:
39.1		 5njvD-1r6aA:
59.62
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.
1v71 HYPOTHETICAL PROTEIN
C320.14 IN
CHROMOSOME III

(Schizosaccharomyces
pombe) 		PF00291
(PALP) 		5 GLY A 206
GLY A 190
GLY A 186
ASP A  12
VAL A  13
 None
None
PLP  A 350 (-3.1A)
None
None
 1.04A 5njvD-1v71A:
0.3		 5njvD-1v71A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcw PROTEASE DEGS

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 214
GLY A  82
GLY A 202
VAL A 106
ILE A  91
 None
 0.93A 5njvD-1vcwA:
undetectable		 5njvD-1vcwA:
22.67
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.
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
 1.05A 5njvD-1wiiA:
undetectable		 5njvD-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.
1ywp 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
GAMMA 1

(Rattus
norvegicus) 		PF00018
(SH3_1) 		5 GLY A  38
GLY A  42
TRP A  40
GLU A  20
ILE A  29
 None
 1.03A 5njvD-1ywpA:
undetectable		 5njvD-1ywpA:
13.73
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.
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
 0.93A 5njvD-2drmA:
undetectable		 5njvD-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.
2esw RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 7

(Mus musculus) 		PF07653
(SH3_2) 		5 GLY A  40
GLY A  44
TRP A  42
GLU A  22
ILE A  31
 None
 0.90A 5njvD-2eswA:
undetectable		 5njvD-2eswA:
14.06
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.
2hle EPHRIN-B2

(Homo sapiens) 		PF00812
(Ephrin) 		5 GLY B 147
GLY B 153
GLU B 152
ASP B  90
ILE B 138
 None
 1.02A 5njvD-2hleB:
undetectable		 5njvD-2hleB:
19.23
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.
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)
 0.52A 5njvD-2nyuA:
14.1		 5njvD-2nyuA:
25.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzo PROTEIN CSAA

(Bacillus
subtilis) 		PF01588
(tRNA_bind) 		5 GLY A  15
GLY A 106
THR A  14
ASP A  36
ILE A  35
 None
 0.98A 5njvD-2nzoA:
undetectable		 5njvD-2nzoA:
20.91
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) 		9 GLY A  59
GLY A  82
GLY A  84
TRP A  88
THR A 105
HIS A 111
GLU A 112
ASP A 132
ASP A 147
 SAM  A 300 (-3.1A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.5A)
SAM  A 300 (-3.8A)
SAM  A 300 (-4.6A)
SAM  A 300 (-3.6A)
None
SAM  A 300 (-3.9A)
SAM  A 300 (-3.9A)
 0.53A 5njvD-2oxtA:
38.7		 5njvD-2oxtA:
51.15
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) 		10 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
HIS A 110
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 (-3.2A)
SAH  A 301 (-3.7A)
SAH  A 301 (-4.4A)
SAH  A 301 (-4.4A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 0.55A 5njvD-2oy0A:
39.2		 5njvD-2oy0A:
69.06
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) 		8 GLY A  58
GLY A  83
TRP A  87
THR A 104
HIS A 110
GLU A 111
VAL A 132
ASP A 146
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.7A)
SAH  A 301 (-4.4A)
SAH  A 301 (-4.4A)
SAH  A 301 (-3.5A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.2A)
 0.84A 5njvD-2oy0A:
39.2		 5njvD-2oy0A:
69.06
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) 		8 GLY A  81
GLY A  83
TRP A  87
THR A 104
LYS A 105
VAL A 132
ASP A 146
ILE A 147
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.7A)
SAH  A 301 (-4.4A)
None
SAH  A 301 (-3.8A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 0.90A 5njvD-2oy0A:
39.2		 5njvD-2oy0A:
69.06
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) 		7 GLY A  83
TRP A  87
THR A 104
LYS A 105
GLU A 111
VAL A 132
ASP A 146
 SAH  A 301 (-3.2A)
SAH  A 301 (-3.7A)
SAH  A 301 (-4.4A)
None
SAH  A 301 (-3.5A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.2A)
 1.14A 5njvD-2oy0A:
39.2		 5njvD-2oy0A:
69.06
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) 		6 GLY A  86
TRP A  87
HIS A 110
VAL A 132
ASP A 146
ILE A 147
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.7A)
SAH  A 301 (-4.4A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 1.44A 5njvD-2oy0A:
39.2		 5njvD-2oy0A:
69.06
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) 		11 GLY A  58
GLY A  81
GLY A  83
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  A 500 (-3.3A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 3.7A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
None
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)
 0.51A 5njvD-2px5A:
41.2		 5njvD-2px5A:
67.41
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) 		7 GLY A  58
GLY A  83
TRP A  87
THR A 104
LYS A 105
GLU A 111
ASP A 146
 SAH  A 500 (-3.3A)
SAH  A 500 ( 3.7A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
None
SAH  A 500 ( 3.2A)
SAH  A 500 (-3.6A)
 0.78A 5njvD-2px5A:
41.2		 5njvD-2px5A:
67.41
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) 		6 GLY A  86
TRP A  87
LYS A 105
HIS A 110
ASP A 146
ILE A 147
 SAH  A 500 (-3.2A)
SAH  A 500 (-3.4A)
None
SAH  A 500 (-3.9A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 1.40A 5njvD-2px5A:
41.2		 5njvD-2px5A:
67.41
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.
2r3u PROTEASE DEGS

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 GLY A 214
GLY A  82
GLY A 202
VAL A 106
ILE A  91
 None
 0.91A 5njvD-2r3uA:
undetectable		 5njvD-2r3uA:
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 GLY A1897
GLY A2064
GLY A2067
GLU A2071
ASP A2077
 None
None
NAP  A3002 (-3.3A)
None
None
 0.94A 5njvD-2vz9A:
undetectable		 5njvD-2vz9A:
7.53
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) 		11 GLY A  59
GLY A  82
GLY A  84
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 (-3.4A)
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)
 0.36A 5njvD-2wa2A:
33.1		 5njvD-2wa2A:
50.18
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.
2yoy RBAM17540

(Bacillus
amyloliquefaciens) 		PF03067
(LPMO_10) 		5 GLY A  89
GLY A  58
GLY A  96
LYS A  56
ILE A  61
 None
 0.98A 5njvD-2yoyA:
undetectable		 5njvD-2yoyA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a5r BENZALACETONE
SYNTHASE

(Rheum palmatum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 156
GLY A 365
GLU A 373
VAL A 306
ILE A 268
 HC4  A 400 (-3.6A)
None
None
None
None
 1.02A 5njvD-3a5rA:
undetectable		 5njvD-3a5rA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cpq 50S RIBOSOMAL
PROTEIN L30E

(Methanocaldococcus
jannaschii) 		PF01248
(Ribosomal_L7Ae) 		5 GLY A  77
GLY A  25
ASP A  54
VAL A  55
ILE A  47
 None
 0.91A 5njvD-3cpqA:
undetectable		 5njvD-3cpqA:
22.45
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.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		5 GLY A  84
GLY A  95
GLY A 147
THR A  96
VAL A 194
 None
 1.02A 5njvD-3eeiA:
undetectable		 5njvD-3eeiA:
22.73
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  83
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)
 0.49A 5njvD-3eluA:
38.5		 5njvD-3eluA:
54.18
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  83
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 (-3.3A)
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)
 0.28A 5njvD-3evcA:
40.5		 5njvD-3evcA:
53.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fxg RHAMNONATE
DEHYDRATASE

(Fusarium
graminearum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  82
GLY A  24
THR A  81
VAL A 134
ASP A  26
 None
 1.03A 5njvD-3fxgA:
undetectable		 5njvD-3fxgA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g48 CHAPERONE CSAA

(Bacillus
anthracis) 		PF01588
(tRNA_bind) 		5 GLY A  15
GLY A 105
GLU A  39
ASP A  36
ILE A  35
 None
 0.94A 5njvD-3g48A:
undetectable		 5njvD-3g48A:
16.41
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) 		11 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
HIS A 110
GLU A 111
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAM  A4633 (-3.5A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.5A)
SAM  A4633 (-3.5A)
None
SAM  A4633 (-3.7A)
SAM  A4633 (-3.6A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.44A 5njvD-3gczA:
40.9		 5njvD-3gczA:
56.06
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.
3iic CHEC DOMAIN PROTEIN

(Shewanella
loihica) 		PF13690
(CheX) 		5 GLY A  40
GLY A  44
THR A  93
VAL A  96
ILE A 148
 None
 0.99A 5njvD-3iicA:
undetectable		 5njvD-3iicA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kg9 CURK

(Lyngbya
majuscula) 		PF14765
(PS-DH) 		5 GLY A1193
GLY A1084
GLU A1083
VAL A1016
ILE A1012
 None
 1.05A 5njvD-3kg9A:
undetectable		 5njvD-3kg9A:
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.
3lgi PROTEASE DEGS

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 GLY A 214
GLY A  82
GLY A 202
VAL A 106
ILE A  91
 None
 0.87A 5njvD-3lgiA:
undetectable		 5njvD-3lgiA:
23.13
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) 		10 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
HIS A 110
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 (-3.3A)
SFG  A 301 (-3.7A)
SFG  A 301 ( 4.7A)
SFG  A 301 (-3.9A)
SFG  A 301 (-3.1A)
SFG  A 301 (-4.1A)
SFG  A 301 (-3.8A)
SFG  A 301 (-4.1A)
 0.51A 5njvD-3lkzA:
40.8		 5njvD-3lkzA:
63.67
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) 		9 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
LYS A 105
GLU A 111
VAL A 132
ASP A 146
 SFG  A 301 (-2.9A)
SFG  A 301 (-3.5A)
SFG  A 301 (-3.3A)
SFG  A 301 (-3.7A)
SFG  A 301 ( 4.7A)
None
SFG  A 301 (-3.7A)
SFG  A 301 (-4.1A)
SFG  A 301 (-3.8A)
 0.96A 5njvD-3lkzA:
40.8		 5njvD-3lkzA:
63.67
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) 		9 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
LYS A 105
VAL A 132
ASP A 146
ILE A 147
 SFG  A 301 (-2.9A)
SFG  A 301 (-3.5A)
SFG  A 301 (-3.3A)
SFG  A 301 (-3.7A)
SFG  A 301 ( 4.7A)
None
SFG  A 301 (-4.1A)
SFG  A 301 (-3.8A)
SFG  A 301 (-4.1A)
 0.79A 5njvD-3lkzA:
40.8		 5njvD-3lkzA:
63.67
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.
3lop SUBSTRATE BINDING
PERIPLASMIC PROTEIN

(Ralstonia
solanacearum) 		PF13458
(Peripla_BP_6) 		5 GLY A  58
GLY A 319
GLU A 318
ASP A 311
VAL A 310
 None
 0.92A 5njvD-3lopA:
3.4		 5njvD-3lopA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 6 GLY A 104
GLY A 162
GLY A 159
THR A 163
GLU A 158
ILE A 514
 FAD  A 601 (-3.1A)
FAD  A 601 (-3.1A)
None
None
None
FAD  A 601 (-3.9A)
 1.18A 5njvD-3nlcA:
undetectable		 5njvD-3nlcA:
17.82
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 5 GLY A 264
GLY A 162
GLY A 160
THR A 163
ILE A 514
 FAD  A 601 (-3.2A)
FAD  A 601 (-3.1A)
FAD  A 601 (-3.4A)
None
FAD  A 601 (-3.9A)
 0.78A 5njvD-3nlcA:
undetectable		 5njvD-3nlcA:
17.82
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.
3pv2 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 206
GLY A  69
GLY A 194
VAL A  94
ILE A  79
 None
 0.97A 5njvD-3pv2A:
undetectable		 5njvD-3pv2A:
21.06
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.
3pv4 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 206
GLY A  69
GLY A 194
VAL A  94
ILE A  79
 None
 0.97A 5njvD-3pv4A:
undetectable		 5njvD-3pv4A:
23.42
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.
3ufk UNDA

(Shewanella sp.
HRCR_06) 		PF13435
(Cytochrome_C554) 		5 GLY A 520
GLY A 588
GLY A 590
ASP A 484
VAL A 485
 None
 0.97A 5njvD-3ufkA:
undetectable		 5njvD-3ufkA:
14.53
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.
3ulr SRC SUBSTRATE
CORTACTIN

(Mus musculus) 		PF14604
(SH3_9) 		5 GLY B 524
GLY B 528
TRP B 526
GLU B 506
ILE B 515
 None
 1.03A 5njvD-3ulrB:
undetectable		 5njvD-3ulrB:
12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  82
GLY A  17
GLY A  14
THR A  18
ILE A  10
 None
 0.95A 5njvD-3wsvA:
undetectable		 5njvD-3wsvA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zlb PHOSPHOGLYCERATE
KINASE

(Streptococcus
pneumoniae) 		PF00162
(PGK) 		6 GLY A 296
GLY A 334
GLY A 324
THR A 335
ASP A 340
ILE A 304
 ANP  A1401 (-4.2A)
None
ANP  A1401 (-3.3A)
None
None
None
 1.48A 5njvD-3zlbA:
2.1		 5njvD-3zlbA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ecg PUTATIVE
IRON-REGULATED
PROTEIN A

(Parabacteroides
distasonis) 		PF09375
(Peptidase_M75) 		5 GLY A 395
GLY A 260
GLY A 257
ASP A 127
ILE A 264
 None
None
None
CA  A 503 ( 4.1A)
None
 1.02A 5njvD-4ecgA:
undetectable		 5njvD-4ecgA:
21.02
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.
4fe4 XYLOSE OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF12833
(HTH_18)
PF13377
(Peripla_BP_3) 		5 GLY A 243
GLY A  25
GLU A  24
ASP A  63
VAL A  83
 None
 1.03A 5njvD-4fe4A:
undetectable		 5njvD-4fe4A:
22.31
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.
4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE

(Pyrococcus
furiosus;
Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		5 GLY A  93
GLY A 291
ASP A 251
ASP A 293
ILE A 266
 None
 0.97A 5njvD-4grsA:
undetectable		 5njvD-4grsA:
23.03
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.
4jcn GLUTAMYL
ENDOPEPTIDASE

(Staphylococcus
epidermidis) 		PF13365
(Trypsin_2) 		5 GLY A 248
GLY A 104
GLY A 236
VAL A 131
ILE A 112
 None
 1.02A 5njvD-4jcnA:
undetectable		 5njvD-4jcnA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		5 GLY A 177
GLY A 600
THR A 601
VAL A  50
ASP A 598
 None
 1.05A 5njvD-4k0eA:
undetectable		 5njvD-4k0eA:
13.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
THR A 104
HIS A 110
GLU A 111
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-4.7A)
SAH  A1001 ( 3.6A)
SO4  A1011 (-4.9A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.47A 5njvD-4k6mA:
40.6		 5njvD-4k6mA:
68.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
HIS A 110
GLU A 111
ASP A 131
VAL A 132
ASP A 146
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.7A)
SAH  A1001 ( 3.6A)
SO4  A1011 (-4.9A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
 0.57A 5njvD-4k6mA:
40.6		 5njvD-4k6mA:
68.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		6 GLY A  81
GLY A  83
THR A 104
LYS A 105
VAL A 132
ILE A 147
 SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-4.7A)
None
SAH  A1001 (-3.7A)
SAH  A1001 ( 4.3A)
 1.08A 5njvD-4k6mA:
40.6		 5njvD-4k6mA:
68.42
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.
4pel PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 GLY B  41
GLY B  61
THR B  62
VAL B 497
ASP B  43
 None
 1.02A 5njvD-4pelB:
undetectable		 5njvD-4pelB:
17.93
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.
4phb UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF14262
(Cthe_2159) 		5 GLY A 124
GLY A 184
GLY A 159
GLU A 120
ILE A 186
 None
 0.97A 5njvD-4phbA:
undetectable		 5njvD-4phbA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pu5 TOXIN-ANTITOXIN
SYSTEM TOXIN HIPA
FAMILY

(Shewanella
oneidensis) 		PF07804
(HipA_C)
PF13657
(Couple_hipA) 		5 GLY A  19
HIS A  33
GLU A  20
ASP A  52
ILE A  49
 None
 1.04A 5njvD-4pu5A:
undetectable		 5njvD-4pu5A:
18.30
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		5 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 901 ( 4.3A)
None
FAD  A 901 (-3.3A)
FAD  A 901 (-4.3A)
None
 0.89A 5njvD-4qi4A:
undetectable		 5njvD-4qi4A:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 902 ( 4.2A)
None
FAD  A 902 (-3.5A)
FAD  A 902 (-4.8A)
None
 0.89A 5njvD-4qi6A:
undetectable		 5njvD-4qi6A:
15.76
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.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		5 GLY A  53
GLY A  29
TRP A  55
VAL A  23
ILE A  75
 NAG  A 502 (-4.2A)
None
NAG  A 502 (-3.6A)
None
None
 1.00A 5njvD-4tqkA:
undetectable		 5njvD-4tqkA:
18.60
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.
4u36 SEED LECTIN

(Vatairea
macrocarpa) 		PF00139
(Lectin_legB) 		5 GLY A 105
GLY A 139
GLU A 146
VAL A 189
ASP A 125
 TNR  A 303 (-3.2A)
None
None
None
CA  A 302 ( 2.1A)
 0.84A 5njvD-4u36A:
undetectable		 5njvD-4u36A:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A  96
GLY A  24
GLY A  21
THR A  25
ILE A  17
 NAD  A 501 ( 4.1A)
None
NAD  A 501 (-3.4A)
None
None
 0.96A 5njvD-4xr9A:
undetectable		 5njvD-4xr9A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 203
GLY A  66
GLY A 191
VAL A  91
ILE A  76
 None
 0.84A 5njvD-4ynnA:
undetectable		 5njvD-4ynnA:
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.
4zqg 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Moraxella
catarrhalis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 GLY A  87
GLY A  12
GLY A  39
THR A  14
ILE A  10
 None
NAD  A 501 (-3.3A)
NAD  A 501 (-3.6A)
NAD  A 501 (-3.6A)
None
 0.98A 5njvD-4zqgA:
undetectable		 5njvD-4zqgA:
20.90
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.
5brr TISSUE-TYPE
PLASMINOGEN
ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY E 211
GLY E  44
GLY E 196
VAL E  66
ILE E  52
 None
 1.00A 5njvD-5brrE:
undetectable		 5njvD-5brrE:
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		6 GLY A 111
GLY A 113
ASP A 163
VAL A 164
ASP A 181
ILE A 182
 SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-2.7A)
SAH  A 301 (-4.0A)
SAH  A 301 (-2.4A)
SAH  A 301 ( 3.8A)
 0.92A 5njvD-5ccxA:
8.8		 5njvD-5ccxA:
25.15
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.
5d04 PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Neisseria
meningitidis) 		PF00793
(DAHP_synth_1) 		5 GLY C 203
GLY C 226
THR C 225
HIS C 210
GLU C 176
 None
 0.99A 5njvD-5d04C:
undetectable		 5njvD-5d04C:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d86 PROBABLE SIDEROPHORE
BIOSYNTHESIS PROTEIN
SBNA

(Staphylococcus
aureus) 		PF00291
(PALP) 		5 GLY A  43
GLY A  76
GLY A  79
THR A  74
ASP A  98
 None
 1.00A 5njvD-5d86A:
undetectable		 5njvD-5d86A:
24.13
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) 		10 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
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)
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)
 0.41A 5njvD-5e9qA:
40.5		 5njvD-5e9qA:
64.86
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) 		8 GLY A  81
GLY A  83
TRP A  87
THR A 104
LYS A 105
ASP A 131
VAL A 132
ILE A 147
 SAM  A 301 (-3.3A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.6A)
None
SAM  A 301 (-3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.2A)
 0.83A 5njvD-5e9qA:
40.5		 5njvD-5e9qA:
64.86
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.
5f7o METHYLTHIOADENOSINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 GLY A  42
GLU A  41
VAL A 265
ASP A  15
ILE A   8
 None
 0.98A 5njvD-5f7oA:
undetectable		 5njvD-5f7oA:
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY B 762
GLY B 965
GLY B 962
THR B 954
GLU B 961
 None
 1.04A 5njvD-5fq6B:
undetectable		 5njvD-5fq6B:
13.95
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.
5gnd PUTATIVE SERINE
PROTEASE HHOA

(Synechocystis
sp. PCC 6803) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 250
GLY A 114
GLY A 238
VAL A 138
ILE A 123
 None
 1.00A 5njvD-5gndA:
undetectable		 5njvD-5gndA:
19.72
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) 		11 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
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)
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)
 0.65A 5njvD-5ikmA:
39.8		 5njvD-5ikmA:
62.17
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) 		10 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
LYS A 105
HIS A 110
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)
SAM  A 311 (-3.7A)
SAM  A 311 (-3.8A)
SAM  A 311 ( 4.3A)
 0.65A 5njvD-5ikmA:
39.8		 5njvD-5ikmA:
62.17
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) 		6 GLY A  86
TRP A  87
LYS A 105
HIS A 110
ASP A 146
ILE A 147
 SAM  A 311 (-3.3A)
SAM  A 311 (-3.5A)
MLT  A 313 ( 3.0A)
SAM  A 311 (-4.1A)
SAM  A 311 (-3.8A)
SAM  A 311 ( 4.3A)
 1.48A 5njvD-5ikmA:
39.8		 5njvD-5ikmA:
62.17
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.
5im4 PHOSPHOTRANSFERASE
SYSTEM,
MANNOSE/FRUCTOSE-SPE
CIFIC COMPONENT IIA

(Caldanaerobacter
subterraneus) 		PF03610
(EIIA-man) 		5 GLY F  17
GLY F  36
GLY F  12
VAL F  46
ILE F   9
 None
 1.00A 5njvD-5im4F:
undetectable		 5njvD-5im4F:
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.
5jd8 PERIPLASMIC SERINE
PEPTIDASE DEGS

(Yersinia pestis) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 213
GLY A  82
GLY A 201
VAL A 106
ILE A  91
 None
 0.85A 5njvD-5jd8A:
undetectable		 5njvD-5jd8A:
21.63
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) 		9 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A1003 (-3.2A)
SAH  A1003 (-3.4A)
SAH  A1003 (-3.5A)
SAH  A1003 (-3.4A)
SAH  A1003 (-4.6A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.8A)
SAH  A1003 ( 4.3A)
 0.38A 5njvD-5jjrA:
40.0		 5njvD-5jjrA:
31.38
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  83
TRP A  87
THR A 104
LYS A 105
HIS A 110
VAL A 132
ASP A 146
ILE A 147
 SAH  A1003 (-3.2A)
SAH  A1003 (-3.4A)
SAH  A1003 (-3.5A)
SAH  A1003 (-3.4A)
SAH  A1003 (-4.6A)
SAH  A1003 (-4.8A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.8A)
SAH  A1003 ( 4.3A)
 0.68A 5njvD-5jjrA:
40.0		 5njvD-5jjrA:
31.38
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
GLY A  83
TRP A  87
THR A 104
LYS A 105
HIS A 110
GLU A 111
 SAH  A1003 (-3.2A)
SAH  A1003 (-3.5A)
SAH  A1003 (-3.4A)
SAH  A1003 (-4.6A)
SAH  A1003 (-4.8A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.3A)
 1.04A 5njvD-5jjrA:
40.0		 5njvD-5jjrA:
31.38
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) 		6 GLY A  86
TRP A  87
LYS A 105
HIS A 110
ASP A 146
ILE A 147
 SAH  A1003 (-3.0A)
SAH  A1003 (-3.4A)
SAH  A1003 (-4.8A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.8A)
SAH  A1003 ( 4.3A)
 1.50A 5njvD-5jjrA:
40.0		 5njvD-5jjrA:
31.38
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.
5kpg PAVINE
N-METHYLTRANSFERASE

(Thalictrum
flavum) 		PF02353
(CMAS) 		5 GLY A 135
GLY A 137
THR A 158
ASP A 185
VAL A 186
 SAH  A 401 (-3.7A)
SAH  A 401 ( 3.8A)
None
SAH  A 401 (-3.5A)
SAH  A 401 (-3.8A)
 0.61A 5njvD-5kpgA:
7.3		 5njvD-5kpgA:
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 GLY A 369
GLY A 398
ASP A 570
ASP A 364
ILE A 362
 None
 0.93A 5njvD-5n4lA:
undetectable		 5njvD-5n4lA:
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.
5n6y NITROGENASE
VANADIUM-IRON
PROTEIN BETA CHAIN

(Azotobacter
vinelandii) 		no annotation 5 GLY E 259
GLY E  35
GLY E 161
GLU E 164
VAL E  60
 None
 0.98A 5njvD-5n6yE:
undetectable		 5njvD-5n6yE:
23.02
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.
5nil MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		PF00005
(ABC_tran)
PF02687
(FtsX)
PF12704
(MacB_PCD) 		5 GLY J 374
GLY J 435
ASP J 418
VAL J 419
ILE J 434
 None
 1.01A 5njvD-5nilJ:
undetectable		 5njvD-5nilJ:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 11 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
HIS A 110
GLU A 111
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.4A)
SAH  A1001 (-4.0A)
None
SAH  A1001 (-3.9A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.2A)
 0.40A 5njvD-5njuA:
42.7		 5njvD-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 7 GLY A  81
GLY A  83
TRP A  87
THR A 104
LYS A 105
VAL A 132
ILE A 147
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.4A)
None
SAH  A1001 (-3.6A)
SAH  A1001 (-4.2A)
 1.21A 5njvD-5njuA:
42.7		 5njvD-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.
5nvj -

(-) 		no annotation 5 GLY A  39
GLY A  43
TRP A  41
GLU A  21
ILE A  30
 None
None
None
CIT  A 103 (-4.0A)
None
 1.02A 5njvD-5nvjA:
undetectable		 5njvD-5nvjA:
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.
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobacter
wolfeii;
Methanothermobacter
wolfeii) 		PF01493
(GXGXG)
PF01568
(Molydop_binding) 		5 GLY C 111
GLY C 133
GLY C 114
ASP D  93
ASP C 131
 None
 1.02A 5njvD-5t5iC:
undetectable		 5njvD-5t5iC:
19.93
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) 		11 GLY A  58
GLY A  81
GLY A  83
TRP A  87
THR A 104
HIS A 110
GLU A 111
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-3.2A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 3.8A)
SAH  A1001 (-3.5A)
SAH  A1001 ( 4.9A)
SAH  A1001 (-3.6A)
None
SAH  A1001 (-4.0A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.8A)
SAH  A1001 ( 4.8A)
 0.55A 5njvD-5tmhA:
41.3		 5njvD-5tmhA:
96.95
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.
5vwi PROTEIN SCRIBBLE
HOMOLOG

(Homo sapiens) 		no annotation 5 GLY A  61
GLU A  14
ASP A  75
VAL A  76
ASP A  66
 None
 0.97A 5njvD-5vwiA:
undetectable		 5njvD-5vwiA:
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.
5xg9 UNCONVENTIONAL
MYOSIN IB

(Entamoeba
histolytica) 		no annotation 5 GLY B  35
GLY B  39
TRP B  37
GLU B  18
ILE B  27
 1PE  B 101 (-4.1A)
None
None
PEU  B 102 (-4.4A)
None
 0.86A 5njvD-5xg9B:
undetectable		 5njvD-5xg9B:
14.75
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.
5y2d -

(-) 		no annotation 5 GLY A 234
GLY A 102
GLY A 222
VAL A 126
ILE A 111
 None
 1.00A 5njvD-5y2dA:
undetectable		 5njvD-5y2dA:
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.
6alk -

(-) 		no annotation 5 GLY A  48
GLY A  46
GLU A  45
VAL A  23
ILE A  71
 None
 1.05A 5njvD-6alkA:
undetectable		 5njvD-6alkA:
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)
 0.94A 5njvD-6dayA:
undetectable		 5njvD-6dayA:
undetectable