SIMILAR PATTERNS OF AMINO ACIDS FOR 3ELW_A_SAMA4633_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.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A  20
GLY A 475
GLY A  22
ASN A 481
VAL A 482
 FAD  A 510 (-3.4A)
FAD  A 510 (-3.6A)
FAD  A 510 (-3.9A)
None
None
 0.82A 3elwA-1coyA:
undetectable		 3elwA-1coyA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		6 GLY A 118
GLY A 150
GLY A 122
LEU A 267
VAL A 254
ILE A 149
 None
None
None
CRB  A 401 (-4.1A)
None
None
 1.47A 3elwA-1dqsA:
undetectable		 3elwA-1dqsA:
20.35
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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		5 GLY A  59
GLY A  64
TRP A  65
LEU A  84
ASP A 124
 SAM  A 301 (-3.6A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.6A)
 0.29A 3elwA-1eizA:
15.1		 3elwA-1eizA:
22.64
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.
1eys PHOTOSYNTHETIC
REACTION CENTER
PHOTOSYNTHETIC
REACTION CENTER

(Thermochromatium
tepidum;
Thermochromatium
tepidum) 		PF02276
(CytoC_RC)
PF00124
(Photo_RC) 		5 GLY C  17
GLY L 151
GLY C  15
TRP L 164
LEU L  83
 None
 0.83A 3elwA-1eysC:
undetectable		 3elwA-1eysC:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.93A 3elwA-1ffvA:
undetectable		 3elwA-1ffvA:
19.00
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		6 GLY A 101
GLY A  36
GLY A  31
GLY A 103
LEU A 290
VAL A  39
 None
None
FAD  A 600 (-3.2A)
FAD  A 600 (-4.5A)
None
None
 1.20A 3elwA-1gpeA:
undetectable		 3elwA-1gpeA:
19.73
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 101
GLY A 103
GLY A  32
PHE A  77
ILE A 110
 None
FAD  A 600 (-4.5A)
FAD  A 600 ( 4.6A)
FAD  A 600 ( 4.8A)
None
 0.88A 3elwA-1gpeA:
undetectable		 3elwA-1gpeA:
19.73
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.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		6 GLY A 498
GLY A 490
GLY A 496
THR A 599
LEU A 607
PHE A 365
 None
None
None
None
None
R03  A 800 ( 4.0A)
 1.48A 3elwA-1h39A:
undetectable		 3elwA-1h39A:
17.53
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.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 569
GLY A 571
LEU A 502
ASN A 522
VAL A 518
 None
 0.88A 3elwA-1itzA:
2.2		 3elwA-1itzA:
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		5 GLY A 262
GLY A 308
GLY A 305
GLY A 264
ILE A 314
 None
 0.95A 3elwA-1iwpA:
undetectable		 3elwA-1iwpA:
20.40
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.
1kfi PHOSPHOGLUCOMUTASE 1

(Paramecium
tetraurelia) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		6 GLY A  67
GLY A  64
GLY A  96
VAL A  43
PHE A  42
ILE A 139
 None
 1.30A 3elwA-1kfiA:
undetectable		 3elwA-1kfiA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 GLY A 351
GLY A 149
GLY A 108
GLY A 105
PHE A 190
 None
CL  A 503 ( 3.7A)
None
None
None
 0.94A 3elwA-1kplA:
undetectable		 3elwA-1kplA:
21.46
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.
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
 0.72A 3elwA-1l2qA:
undetectable		 3elwA-1l2qA:
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.
1lnz SPO0B-ASSOCIATED
GTP-BINDING PROTEIN

(Bacillus
subtilis) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		5 GLY A 146
GLY A 123
GLY A  16
GLY A  41
PHE A 129
 None
 0.88A 3elwA-1lnzA:
undetectable		 3elwA-1lnzA:
22.04
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.
1mza PRO-GRANZYME K

(Homo sapiens) 		PF00089
(Trypsin) 		6 GLY A 142
GLY A  44
GLY A 196
GLY A 193
THR A  54
LEU A  53
 None
 1.42A 3elwA-1mzaA:
undetectable		 3elwA-1mzaA:
22.15
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.
1nvm ACETALDEHYDE
DEHYDROGENASE
(ACYLATING)

(Pseudomonas sp.
CF600) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		6 GLY B 167
GLY B  16
GLY B  13
GLY B 165
THR B  17
ILE B   9
 NAD  B3501 (-3.5A)
None
NAD  B3501 (-3.4A)
NAD  B3501 (-3.6A)
None
None
 1.32A 3elwA-1nvmB:
3.7		 3elwA-1nvmB:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nw1 CHOLINE KINASE (49.2
KD)

(Caenorhabditis
elegans) 		PF01633
(Choline_kinase) 		5 GLY A  84
GLY A 259
VAL A 180
PHE A 251
ASP A 301
 None
 0.92A 3elwA-1nw1A:
undetectable		 3elwA-1nw1A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1op2 VENOM SERINE
PROTEINASE

(Deinagkistrodon
acutus) 		PF00089
(Trypsin) 		6 GLY A 142
GLY A  44
GLY A 196
GLY A 193
THR A  54
VAL A  52
 None
 1.43A 3elwA-1op2A:
undetectable		 3elwA-1op2A:
19.27
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) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 SAH  A 887 (-3.0A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-4.5A)
SAH  A 887 (-3.5A)
SAH  A 887 (-4.1A)
SAH  A 887 (-3.9A)
SAH  A 887 ( 4.2A)
 0.44A 3elwA-1r6aA:
39.8		 3elwA-1r6aA:
52.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sbz PROBABLE AROMATIC
ACID DECARBOXYLASE

(Escherichia
coli) 		PF02441
(Flavoprotein) 		5 GLY A  16
GLY A  12
LEU A  23
PHE A 173
ILE A  82
 None
 0.92A 3elwA-1sbzA:
undetectable		 3elwA-1sbzA:
20.54
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.
1sdd COAGULATION FACTOR V

(Bos taurus) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		6 GLY B1871
GLY B1934
GLY B2019
THR B1933
PHE B1977
ILE B1935
 None
 1.40A 3elwA-1sddB:
undetectable		 3elwA-1sddB:
19.05
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.
1sq1 CHORISMATE SYNTHASE

(Campylobacter
jejuni) 		PF01264
(Chorismate_synt) 		6 GLY A  67
GLY A  75
LEU A  65
PHE A  13
ASP A  26
ILE A  24
 SO4  A 402 (-3.5A)
None
None
None
None
None
 1.44A 3elwA-1sq1A:
undetectable		 3elwA-1sq1A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.92A 3elwA-1vcwA:
undetectable		 3elwA-1vcwA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		5 GLY A 108
GLY A 103
GLY A  76
PHE A  20
ASP A  53
 SCN  A 501 (-4.2A)
None
ZN  A 401 ( 4.4A)
None
SCN  A 501 (-4.0A)
 0.90A 3elwA-2a5vA:
undetectable		 3elwA-2a5vA:
24.68
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.
2et6 (3R)-HYDROXYACYL-COA
DEHYDROGENASE

(Candida
tropicalis) 		PF00106
(adh_short) 		5 GLY A  15
GLY A  17
LEU A  40
ASN A  74
VAL A  75
 None
 0.89A 3elwA-2et6A:
4.7		 3elwA-2et6A:
18.71
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 GLY A 109
GLY A 348
GLY A 168
GLY A 107
PHE A 353
ILE A 349
 None
 1.39A 3elwA-2gqdA:
undetectable		 3elwA-2gqdA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k0l OUTER MEMBRANE
PROTEIN A

(Klebsiella
pneumoniae) 		PF01389
(OmpA_membrane) 		5 GLY A  59
GLY A 101
GLY A  67
ASN A 167
VAL A 166
 None
 0.81A 3elwA-2k0lA:
undetectable		 3elwA-2k0lA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2m7s SERINE/ARGININE-RICH
SPLICING FACTOR 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 GLY A   8
GLY A  53
THR A  52
PHE A  75
ASP A  46
 None
 0.80A 3elwA-2m7sA:
undetectable		 3elwA-2m7sA:
17.31
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A  30
TRP A  36
LEU A  63
VAL A  80
ASP A 104
 SAM  A 201 (-3.5A)
SAM  A 201 (-3.9A)
SAM  A 201 (-4.2A)
SAM  A 201 (-3.9A)
SAM  A 201 (-3.7A)
 0.45A 3elwA-2nyuA:
14.7		 3elwA-2nyuA:
25.37
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.
2nzo PROTEIN CSAA

(Bacillus
subtilis) 		PF01588
(tRNA_bind) 		6 GLY A  15
GLY A 106
THR A  14
VAL A  64
ASP A  36
ILE A  35
 None
 1.20A 3elwA-2nzoA:
undetectable		 3elwA-2nzoA:
17.00
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  84
GLY A  87
TRP A  88
THR A 105
LEU A 106
ASP A 147
 SAM  A 300 (-3.1A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.5A)
SAM  A 300 (-3.2A)
SAM  A 300 (-3.8A)
SAM  A 300 (-4.6A)
SAM  A 300 (-4.2A)
SAM  A 300 (-3.9A)
 0.39A 3elwA-2oxtA:
39.6		 3elwA-2oxtA:
49.82
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) 		6 GLY A  82
GLY A  59
GLY A  87
GLY A  84
THR A  60
ASP A 147
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.1A)
SAM  A 300 (-3.2A)
SAM  A 300 (-3.5A)
None
SAM  A 300 (-3.9A)
 1.29A 3elwA-2oxtA:
39.6		 3elwA-2oxtA:
49.82
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
GLY A  86
TRP A  87
THR A 104
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.7A)
SAH  A 301 (-4.4A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.1A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 0.51A 3elwA-2oy0A:
39.8		 3elwA-2oy0A:
54.18
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  58
GLY A  81
GLY A  85
PHE A 133
ASP A 146
ILE A 147
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.0A)
SAH  A 301 (-4.3A)
SAH  A 301 (-4.1A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 0.96A 3elwA-2oy0A:
39.8		 3elwA-2oy0A:
54.18
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  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
ASP A 146
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.2A)
None
SAH  A 301 (-4.2A)
 1.36A 3elwA-2oy0A:
39.8		 3elwA-2oy0A:
54.18
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  83
GLY A  86
TRP A  87
THR A 104
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 SAH  A 500 (-3.3A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 3.7A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
SAH  A 500 (-3.6A)
SAH  A 500 (-4.2A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 0.36A 3elwA-2px5A:
41.7		 3elwA-2px5A:
54.29
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  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
ASP A 146
 SAH  A 500 (-3.4A)
SAH  A 500 (-3.3A)
SAH  A 500 (-3.2A)
SAH  A 500 ( 3.7A)
None
SAH  A 500 (-3.6A)
 1.31A 3elwA-2px5A:
41.7		 3elwA-2px5A:
54.29
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.
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 3elwA-2r3uA:
undetectable		 3elwA-2r3uA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 GLY A 351
GLY A 149
GLY A 108
GLY A 105
PHE A 190
 None
CL  A   2 ( 4.2A)
CL  A   1 ( 4.2A)
None
None
 0.88A 3elwA-2r9hA:
undetectable		 3elwA-2r9hA:
20.22
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) 		9 GLY A  59
GLY A  82
GLY A  84
TRP A  88
THR A 105
LEU A 106
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 (-4.1A)
SAM  A1248 (-3.4A)
SAM  A1248 (-3.7A)
SAM  A1248 ( 4.0A)
 0.32A 3elwA-2wa2A:
33.6		 3elwA-2wa2A:
50.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xn8 PUTATIVE CYTOCHROME
P450 125

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 GLY A  56
GLY A  60
GLY A  62
GLY A  69
ASP A  58
 None
 0.90A 3elwA-2xn8A:
undetectable		 3elwA-2xn8A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xy4 ZINC ABC
TRANSPORTER,
PERIPLASMIC
ZINC-BINDING PROTEIN

(Salmonella
enterica) 		PF01297
(ZnuA) 		5 GLY A 206
GLY A 204
THR A 224
LEU A 223
PHE A 258
 None
 0.95A 3elwA-2xy4A:
undetectable		 3elwA-2xy4A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 GLY A 534
GLY A 542
GLY A 508
VAL A 566
ILE A 570
 None
 0.94A 3elwA-2ycbA:
undetectable		 3elwA-2ycbA:
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 GLY A  46
GLY A  51
TRP A  52
LEU A  68
ASP A 111
 SAM  A   1 (-3.5A)
SAM  A   1 (-3.2A)
SAM  A   1 (-4.0A)
SAM  A   1 (-4.2A)
SAM  A   1 (-3.7A)
 0.35A 3elwA-3douA:
14.5		 3elwA-3douA:
21.12
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) 		12 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LEU A 105
ASN A 131
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 SAM  A4633 ( 3.7A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.5A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.1A)
SAM  A4633 (-3.6A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.5A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.15A 3elwA-3eluA:
44.5		 3elwA-3eluA:
100.00
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
GLY A  86
TRP A  87
THR A 104
LEU A 105
ASP A 146
ILE A 147
 SAH  A 901 (-3.2A)
SAH  A 901 (-3.4A)
SAH  A 901 (-3.3A)
SAH  A 901 (-3.1A)
SAH  A 901 (-3.6A)
SAH  A 901 (-4.5A)
SAH  A 901 (-4.0A)
SAH  A 901 (-3.8A)
SAH  A 901 ( 4.2A)
 0.24A 3elwA-3evcA:
42.8		 3elwA-3evcA:
61.27
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  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
ASP A 146
 SAH  A 901 (-3.4A)
SAH  A 901 (-3.2A)
SAH  A 901 (-3.1A)
SAH  A 901 (-3.3A)
None
SAH  A 901 (-3.8A)
 1.27A 3elwA-3evcA:
42.8		 3elwA-3evcA:
61.27
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.
3f8r THIOREDOXIN
REDUCTASE (TRXB-3)

(Sulfolobus
solfataricus) 		PF07992
(Pyr_redox_2) 		5 GLY A 305
GLY A  22
GLY A  24
GLY A  29
ILE A 121
 None
NAP  A4005 (-3.1A)
NAP  A4005 (-3.3A)
None
NAP  A4005 (-3.8A)
 0.96A 3elwA-3f8rA:
undetectable		 3elwA-3f8rA:
22.05
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.
3fi9 MALATE DEHYDROGENASE

(Porphyromonas
gingivalis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  47
GLY A  13
GLY A  16
GLY A  44
ILE A  11
 None
 0.96A 3elwA-3fi9A:
5.4		 3elwA-3fi9A:
22.97
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.
3fk5 3-OXOACYL-SYNTHASE
III

(Xanthomonas
oryzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		6 GLY A 129
THR A  89
VAL A  87
PHE A 117
ASP A 131
ILE A 132
 None
 1.32A 3elwA-3fk5A:
undetectable		 3elwA-3fk5A:
22.41
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.
3fk5 3-OXOACYL-SYNTHASE
III

(Xanthomonas
oryzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		6 GLY A 207
GLY A 129
VAL A  87
PHE A 117
ASP A 131
ILE A 132
 None
 1.16A 3elwA-3fk5A:
undetectable		 3elwA-3fk5A:
22.41
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.
3g01 GRANZYME C

(Mus musculus) 		PF00089
(Trypsin) 		5 GLY A 149
GLY A  52
GLY A 206
GLY A 202
VAL A  60
 None
 0.84A 3elwA-3g01A:
undetectable		 3elwA-3g01A:
19.43
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
GLY A  86
TRP A  87
THR A 104
LEU A 105
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 SAM  A4633 (-3.5A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.0A)
SAM  A4633 (-3.6A)
SAM  A4633 (-3.9A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.18A 3elwA-3gczA:
41.7		 3elwA-3gczA:
55.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7t GROUP 3 ALLERGEN
SMIPP-S YVT004A06

(Sarcoptes
scabiei) 		PF00089
(Trypsin) 		6 GLY A 126
GLY A  28
GLY A 187
GLY A 184
THR A  38
VAL A  36
 None
 1.43A 3elwA-3h7tA:
undetectable		 3elwA-3h7tA:
26.25
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.
3hi0 PUTATIVE
EXOPOLYPHOSPHATASE

(Agrobacterium
fabrum) 		PF02541
(Ppx-GppA) 		5 GLY A  53
GLY A 171
GLY A 149
GLY A  51
LEU A 151
 None
 0.94A 3elwA-3hi0A:
undetectable		 3elwA-3hi0A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		6 GLY A 219
GLY A 217
GLY A 334
LEU A 246
ASN A 508
ILE A 223
 None
 1.04A 3elwA-3hjrA:
undetectable		 3elwA-3hjrA:
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.
3hp7 HEMOLYSIN, PUTATIVE

(Streptococcus
thermophilus) 		PF01479
(S4)
PF01728
(FtsJ) 		5 GLY A  66
GLY A  90
GLY A  95
ASN A 135
ASP A 155
 None
EOH  A 301 ( 3.7A)
None
None
None
 0.49A 3elwA-3hp7A:
12.7		 3elwA-3hp7A:
21.88
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.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		5 GLY A 265
GLY A 320
GLY A 316
PHE A  11
ILE A 235
 None
 0.84A 3elwA-3l0zA:
undetectable		 3elwA-3l0zA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l8a PUTATIVE
AMINOTRANSFERASE,
PROBABLE
BETA-CYSTATHIONASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		6 GLY A 209
GLY A 319
LEU A 322
ASN A 366
VAL A 367
ILE A 295
 None
 1.27A 3elwA-3l8aA:
2.9		 3elwA-3l8aA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.90A 3elwA-3lgiA:
undetectable		 3elwA-3lgiA:
20.66
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
GLY A  86
TRP A  87
THR A 104
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 SFG  A 301 (-2.9A)
SFG  A 301 (-3.5A)
SFG  A 301 (-3.3A)
SFG  A 301 (-3.4A)
SFG  A 301 (-3.7A)
SFG  A 301 ( 4.7A)
SFG  A 301 (-4.1A)
SFG  A 301 (-4.2A)
SFG  A 301 (-3.8A)
SFG  A 301 (-4.1A)
 0.45A 3elwA-3lkzA:
40.7		 3elwA-3lkzA:
52.87
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) 		6 GLY A  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
ASP A 146
 SFG  A 301 (-3.5A)
SFG  A 301 (-2.9A)
SFG  A 301 (-3.4A)
SFG  A 301 (-3.3A)
None
SFG  A 301 (-3.8A)
 1.34A 3elwA-3lkzA:
40.7		 3elwA-3lkzA:
52.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lnl UPF0135 PROTEIN
SA1388

(Staphylococcus
aureus) 		PF01784
(NIF3) 		5 GLY A 243
GLY A 241
PHE A 305
ASP A 106
ILE A 286
 None
None
None
ZN  A 401 ( 2.0A)
None
 0.92A 3elwA-3lnlA:
undetectable		 3elwA-3lnlA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II

(Listeria
monocytogenes) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 GLY A 339
GLY A 343
THR A 338
ASN A  33
VAL A  35
ILE A 230
 None
 1.24A 3elwA-3o04A:
undetectable		 3elwA-3o04A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opn PUTATIVE HEMOLYSIN

(Lactococcus
lactis) 		PF01728
(FtsJ) 		5 GLY A  40
GLY A  64
GLY A  69
ASN A 109
ASP A 129
 SO4  A   1 (-3.5A)
None
SO4  A   1 (-3.3A)
None
None
 0.87A 3elwA-3opnA:
13.7		 3elwA-3opnA:
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.
3p8r GERANYLTRANSTRANSFER
ASE

(Vibrio cholerae) 		PF00348
(polyprenyl_synt) 		6 GLY A 132
GLY A  54
GLY A 191
GLY A 196
THR A  53
LEU A  49
 None
 1.50A 3elwA-3p8rA:
undetectable		 3elwA-3p8rA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		5 GLY A 615
GLY A 612
VAL A 710
PHE A 562
ILE A 638
 None
 0.87A 3elwA-3pgbA:
undetectable		 3elwA-3pgbA:
16.50
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.
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
 0.94A 3elwA-3pmqA:
undetectable		 3elwA-3pmqA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		6 GLY A 142
GLY A  44
GLY A 196
GLY A 193
THR A  54
VAL A  52
 None
 1.38A 3elwA-3s9bA:
undetectable		 3elwA-3s9bA:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 328
GLY A 121
GLY A 118
GLY A 326
LEU A  80
 None
 0.82A 3elwA-3t6sA:
undetectable		 3elwA-3t6sA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vc1 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
coelicolor) 		PF08241
(Methyltransf_11) 		6 GLY A 105
GLY A 107
GLY A 110
THR A 127
LEU A 128
ASN A 155
 SAH  A 302 (-3.4A)
SAH  A 302 (-3.3A)
None
SAH  A 302 (-4.0A)
SAH  A 302 (-4.1A)
GOL  A 304 ( 3.4A)
 0.78A 3elwA-3vc1A:
8.4		 3elwA-3vc1A:
24.57
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.
3vgl GLUCOKINASE

(Streptomyces
griseus) 		PF00480
(ROK) 		5 GLY A 260
GLY A 112
GLY A 302
GLY A 299
LEU A 309
 ANP  A 325 ( 4.1A)
None
None
None
None
 0.88A 3elwA-3vglA:
undetectable		 3elwA-3vglA:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		6 GLY A 930
GLY A 911
GLY A1010
THR A1013
LEU A1017
ILE A 910
 None
 1.48A 3elwA-3w9hA:
undetectable		 3elwA-3w9hA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		5 GLY A 219
GLY A 224
TRP A 225
PHE A 262
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.66A 3elwA-4aukA:
12.9		 3elwA-4aukA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bgu MALATE DEHYDROGENASE

(Haloferax
volcanii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 GLY A 145
GLY A 174
GLY A 247
LEU A 288
PHE A 184
ASP A 149
 None
 1.49A 3elwA-4bguA:
4.6		 3elwA-4bguA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cjx C-1-TETRAHYDROFOLATE
SYNTHASE,
CYTOPLASMIC,
PUTATIVE

(Trypanosoma
brucei) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 GLY A 172
GLY A 237
GLY A 217
GLY A 170
VAL A 271
 NAP  A1301 (-3.3A)
NAP  A1301 (-3.3A)
NAP  A1301 (-2.8A)
NAP  A1301 (-3.3A)
None
 0.67A 3elwA-4cjxA:
3.9		 3elwA-4cjxA:
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.
4e09 PLASMID PARTITIONING
PROTEIN PARF

(Escherichia
coli) 		PF01656
(CbiA) 		5 GLY A  14
GLY A  11
THR A 138
PHE A 162
ILE A 102
 ACP  A 301 (-3.2A)
ACP  A 301 (-3.5A)
None
None
None
 0.87A 3elwA-4e09A:
undetectable		 3elwA-4e09A:
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.
4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE

(Acetobacter
aceti) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 GLY A  73
GLY A  69
GLY A  34
GLY A  37
VAL A 117
 None
 0.93A 3elwA-4eudA:
undetectable		 3elwA-4eudA:
20.40
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 208
GLY A 210
LEU A 232
ASN A 252
PHE A 254
 SAH  A 401 (-3.6A)
SAH  A 401 ( 3.8A)
SAH  A 401 ( 4.4A)
SAH  A 401 (-3.3A)
SAH  A 401 ( 4.8A)
 0.60A 3elwA-4eviA:
7.7		 3elwA-4eviA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
lasaliensis) 		PF02353
(CMAS) 		6 GLY A 113
GLY A 115
GLY A 118
THR A 135
LEU A 136
ASN A 163
 None
 0.76A 3elwA-4f85A:
7.8		 3elwA-4f85A:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gz8 SEMAPHORIN-3A

(Mus musculus) 		PF01403
(Sema) 		5 GLY A  50
GLY A  72
GLY A 508
LEU A  61
ILE A  77
 CA  A 809 ( 4.8A)
None
None
None
None
 0.95A 3elwA-4gz8A:
undetectable		 3elwA-4gz8A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 GLY A 391
GLY A 807
GLY A 794
GLY A 394
ASN A 562
 FAD  A 901 (-3.6A)
None
FAD  A 901 (-3.2A)
None
None
 0.96A 3elwA-4hsuA:
undetectable		 3elwA-4hsuA:
18.01
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.
4is4 GLUTAMINE SYNTHETASE

(Medicago
truncatula) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 GLY A 168
GLY A 160
GLY A 191
GLY A 196
ILE A 161
 None
 0.93A 3elwA-4is4A:
undetectable		 3elwA-4is4A:
22.28
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		5 GLY A 346
GLY A 354
GLY A 350
THR A 320
ILE A 345
 None
 0.90A 3elwA-4j9uA:
undetectable		 3elwA-4j9uA:
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.
4jb1 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Pseudomonas
aeruginosa) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 GLY A 122
GLY A  93
GLY A  75
THR A 120
ILE A 179
 FAD  A 401 ( 4.0A)
None
None
FAD  A 401 (-2.8A)
FAD  A 401 (-3.9A)
 0.96A 3elwA-4jb1A:
undetectable		 3elwA-4jb1A:
20.06
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		9 GLY A  58
GLY A  81
GLY A  83
GLY A  86
THR A 104
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 (-4.7A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.1A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.48A 3elwA-4k6mA:
40.4		 3elwA-4k6mA:
18.15
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		9 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.7A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.59A 3elwA-4k6mA:
40.4		 3elwA-4k6mA:
18.15
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.
4lrs ACETALDEHYDE
DEHYDROGENASE

(Thermomonospora
curvata) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		6 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.40A 3elwA-4lrsB:
3.2		 3elwA-4lrsB:
23.46
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.
4lrs ACETALDEHYDE
DEHYDROGENASE

(Thermomonospora
curvata) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		6 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
LEU B  39
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.42A 3elwA-4lrsB:
3.2		 3elwA-4lrsB:
23.46
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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 GLY A 107
GLY A 346
GLY A 166
GLY A 105
PHE A 351
ILE A 347
 None
 1.31A 3elwA-4ls5A:
undetectable		 3elwA-4ls5A:
24.17
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A 279
GLY A 282
THR A 301
LEU A 302
ASP A 364
 SAM  A 601 (-3.5A)
SAM  A 601 (-3.1A)
SAM  A 601 (-4.1A)
SAM  A 601 (-4.1A)
SAM  A 601 (-3.6A)
 0.48A 3elwA-4n49A:
16.2		 3elwA-4n49A:
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.
4oj5 TAILSPIKE PROTEIN

(Escherichia
virus CBA120) 		no annotation 5 GLY A 630
GLY A 649
GLY A 674
ASN A 593
VAL A 592
 None
 0.85A 3elwA-4oj5A:
undetectable		 3elwA-4oj5A:
17.59
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.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 258
GLY A 215
GLY A 134
LEU A  25
PHE A  38
 None
 0.92A 3elwA-4oqjA:
undetectable		 3elwA-4oqjA:
15.95
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.
4q0m L-ASPARAGINASE

(Pyrococcus
furiosus) 		PF00710
(Asparaginase) 		5 GLY A 288
GLY A 231
GLY A 235
GLY A 267
ILE A 229
 None
 0.80A 3elwA-4q0mA:
undetectable		 3elwA-4q0mA:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.81A 3elwA-4qi4A:
2.6		 3elwA-4qi4A:
20.17
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.
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
 0.85A 3elwA-4qi6A:
2.3		 3elwA-4qi6A:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		6 GLY A 448
GLY A 728
GLY A 780
TRP A 803
THR A 729
LEU A 732
 None
None
PT  A 912 ( 4.6A)
None
None
None
 1.10A 3elwA-4qi7A:
2.7		 3elwA-4qi7A:
16.22
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.
4ra6 L-ASPARAGINASE

(Pyrococcus
furiosus) 		no annotation 5 GLY B 288
GLY B 231
GLY B 235
GLY B 267
ILE B 229
 None
 0.81A 3elwA-4ra6B:
undetectable		 3elwA-4ra6B:
21.85
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.
4rs3 ABC TRANSPORTER,
CARBOHYDRATE UPTAKE
TRANSPORTER-2 (CUT2)
FAMILY, PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 GLY A 141
GLY A 163
GLY A 169
GLY A 174
ASN A  73
 None
None
XYL  A 401 ( 3.8A)
ACT  A 433 (-3.5A)
None
 0.88A 3elwA-4rs3A:
undetectable		 3elwA-4rs3A:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		6 GLY A 238
GLY A 240
VAL A 189
PHE A 191
ASP A 243
ILE A 244
 None
 1.24A 3elwA-4tqkA:
undetectable		 3elwA-4tqkA:
22.43