SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'OCS'


List of Similar Pattern of Amino Acids


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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
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.
1BSX_A_T3A1_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima)
5 / 12 ILE A  20
ARG A 179
LEU A  14
LEU A  85
ILE A  87
None
SO4  A 409 (-4.1A)
None
None
OCS  A  88 ( 4.0A)
1.04A 1bsxA-1o1yA:
0.0
1bsxA-1o1yA:
23.57
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.
1BSX_B_T3B2_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima)
5 / 12 ILE A  20
ARG A 179
LEU A  14
LEU A  85
ILE A  87
None
SO4  A 409 (-4.1A)
None
None
OCS  A  88 ( 4.0A)
1.04A 1bsxB-1o1yA:
0.0
1bsxB-1o1yA:
23.57
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.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)
3sho TRANSCRIPTIONAL
REGULATOR, RPIR
FAMILY

(Sphaerobacter
thermophilus)
5 / 12 ALA A 126
LEU A 231
ILE A 187
LEU A 152
ILE A 131
None
None
None
None
OCS  A 132 ( 3.7A)
1.08A 1draB-3shoA:
undetectable
1draB-3shoA:
19.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DSS_G_CCSG149_0
(D-GLYCERALDEHYDE-3-P
HOSPHATE-DEHYDROGENA
SE)
5c7o GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
TESTIS-SPECIFIC

(Homo
sapiens)
4 / 7 ASN O 388
TYR O 392
ASN O 227
TYR O 386
NAD  O 501 (-3.9A)
NAD  O 501 (-2.7A)
OCS  O 224 ( 4.8A)
OCS  O 224 ( 4.0A)
0.93A 1dssG-5c7oO:
53.6
1dssG-5c7oO:
66.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DSS_G_CCSG149_0
(D-GLYCERALDEHYDE-3-P
HOSPHATE-DEHYDROGENA
SE)
5c7o GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
TESTIS-SPECIFIC

(Homo
sapiens)
7 / 7 SER O 223
THR O 225
ASN O 227
CYH O 228
TYR O 386
ASN O 388
TYR O 392
OCS  O 224 ( 3.4A)
OCS  O 224 ( 4.2A)
OCS  O 224 ( 4.8A)
None
OCS  O 224 ( 4.0A)
NAD  O 501 (-3.9A)
NAD  O 501 (-2.7A)
0.12A 1dssG-5c7oO:
53.6
1dssG-5c7oO:
66.87
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.
1DSS_G_CCSG149_0
(D-GLYCERALDEHYDE-3-P
HOSPHATE-DEHYDROGENA
SE)
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Naegleria
gruberi)
4 / 7 ASN A 314
TYR A 318
ASN A 152
TYR A 312
NAD  A 401 (-3.7A)
NAD  A 401 (-3.5A)
None
OCS  A 149 ( 4.1A)
0.93A 1dssG-5ur0A:
51.6
1dssG-5ur0A:
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.
1DSS_G_CCSG149_0
(D-GLYCERALDEHYDE-3-P
HOSPHATE-DEHYDROGENA
SE)
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Naegleria
gruberi)
7 / 7 SER A 148
THR A 150
ASN A 152
CYH A 153
TYR A 312
ASN A 314
TYR A 318
OCS  A 149 ( 3.5A)
OCS  A 149 ( 3.8A)
None
None
OCS  A 149 ( 4.1A)
NAD  A 401 (-3.7A)
NAD  A 401 (-3.5A)
0.18A 1dssG-5ur0A:
51.6
1dssG-5ur0A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DSS_R_CCSR149_0
(D-GLYCERALDEHYDE-3-P
HOSPHATE-DEHYDROGENA
SE)
5c7o GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
TESTIS-SPECIFIC

(Homo
sapiens)
4 / 8 ASN O 388
TYR O 392
ASN O 227
TYR O 386
NAD  O 501 (-3.9A)
NAD  O 501 (-2.7A)
OCS  O 224 ( 4.8A)
OCS  O 224 ( 4.0A)
0.92A 1dssR-5c7oO:
53.5
1dssR-5c7oO:
66.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DSS_R_CCSR149_0
(D-GLYCERALDEHYDE-3-P
HOSPHATE-DEHYDROGENA
SE)
5c7o GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
TESTIS-SPECIFIC

(Homo
sapiens)
8 / 8 SER O 223
THR O 225
ASN O 227
CYH O 228
HIS O 251
TYR O 386
ASN O 388
TYR O 392
OCS  O 224 ( 3.4A)
OCS  O 224 ( 4.2A)
OCS  O 224 ( 4.8A)
None
OCS  O 224 ( 3.9A)
OCS  O 224 ( 4.0A)
NAD  O 501 (-3.9A)
NAD  O 501 (-2.7A)
0.31A 1dssR-5c7oO:
53.5
1dssR-5c7oO:
66.87
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.
1DSS_R_CCSR149_0
(D-GLYCERALDEHYDE-3-P
HOSPHATE-DEHYDROGENA
SE)
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Naegleria
gruberi)
4 / 8 ASN A 314
TYR A 318
ASN A 152
TYR A 312
NAD  A 401 (-3.7A)
NAD  A 401 (-3.5A)
None
OCS  A 149 ( 4.1A)
0.92A 1dssR-5ur0A:
51.4
1dssR-5ur0A:
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.
1DSS_R_CCSR149_0
(D-GLYCERALDEHYDE-3-P
HOSPHATE-DEHYDROGENA
SE)
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Naegleria
gruberi)
8 / 8 SER A 148
THR A 150
ASN A 152
CYH A 153
HIS A 176
TYR A 312
ASN A 314
TYR A 318
OCS  A 149 ( 3.5A)
OCS  A 149 ( 3.8A)
None
None
OCS  A 149 ( 4.0A)
OCS  A 149 ( 4.1A)
NAD  A 401 (-3.7A)
NAD  A 401 (-3.5A)
0.33A 1dssR-5ur0A:
51.4
1dssR-5ur0A:
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.
1DVT_A_FLPA125_1
(TRANSTHYRETIN)
1v3y PEPTIDE DEFORMYLASE
(Thermus
thermophilus)
4 / 8 ALA A  47
LEU A 108
LEU A 105
SER A 104
None
None
OCS  A 102 ( 4.4A)
OCS  A 102 ( 3.3A)
0.91A 1dvtA-1v3yA:
undetectable
1dvtB-1v3yA:
undetectable
1dvtA-1v3yA:
20.81
1dvtB-1v3yA:
20.81
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris)
4 / 8 PHE B  55
HIS B 427
ILE B  74
HIS B  82
None
None
OCS  B  75 ( 3.9A)
FCO  B 500 (-4.3A)
1.00A 1ei6D-3ze7B:
undetectable
1ei6D-3ze7B:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris)
4 / 6 CYH B  78
VAL B  77
HIS B  82
CYH B 492
FCO  B 500 (-2.2A)
OCS  B  75 ( 3.3A)
FCO  B 500 (-4.3A)
FCO  B 500 ( 2.3A)
1.41A 1ekjG-3ze7B:
undetectable
1ekjH-3ze7B:
undetectable
1ekjG-3ze7B:
20.42
1ekjH-3ze7B:
20.42
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.
1H4O_B_BEZB1162_0
(PEROXIREDOXIN 5)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
4 / 8 PRO A  39
THR A  43
PRO A  44
ARG A 121
OCS  A  46 ( 3.3A)
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 2.3A)
0.48A 1h4oB-5xbqA:
18.2
1h4oB-5xbqA:
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.
1H4O_G_BEZG1162_0
(PEROXIREDOXIN 5)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
4 / 8 PRO A  39
THR A  43
PRO A  44
ARG A 121
OCS  A  46 ( 3.3A)
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 2.3A)
0.42A 1h4oG-5xbqA:
18.1
1h4oG-5xbqA:
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.
1KT7_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)
2f1k PREPHENATE
DEHYDROGENASE

(Synechocystis
sp.
PCC
6803)
5 / 11 LEU A 155
ALA A 115
VAL A 154
LEU A  19
HIS A 112
None
OMT  A 114 (-3.1A)
OCS  A 150 ( 3.9A)
None
OMT  A 114 ( 3.9A)
1.42A 1kt7A-2f1kA:
undetectable
1kt7A-2f1kA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OC3_A_BEZA201_0
(PEROXIREDOXIN 5)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
4 / 8 PRO A  39
THR A  43
PRO A  44
ARG A 121
OCS  A  46 ( 3.3A)
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 2.3A)
0.52A 1oc3A-5xbqA:
18.0
1oc3A-5xbqA:
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.
1QZZ_A_ACTA421_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)
1o1x RIBOSE-5-PHOSPHATE
ISOMERASE RPIB

(Thermotoga
maritima)
5 / 8 TYR A  42
GLY A  66
GLY A  68
GLY A  70
MET A  71
OCS  A  65 ( 3.8A)
OCS  A  65 ( 2.4A)
OCS  A  65 ( 2.9A)
OCS  A  65 ( 3.1A)
OCS  A  65 ( 4.8A)
1.50A 1qzzA-1o1xA:
2.9
1qzzA-1o1xA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)
3sho TRANSCRIPTIONAL
REGULATOR, RPIR
FAMILY

(Sphaerobacter
thermophilus)
5 / 12 ALA A 126
LEU A 231
ILE A 187
LEU A 152
ILE A 131
None
None
None
None
OCS  A 132 ( 3.7A)
1.05A 1ra3A-3shoA:
undetectable
1ra3A-3shoA:
19.81
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.
1RS7_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
5jmu PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

([Eubacterium]
rectale)
4 / 5 GLY A 401
ILE A 402
VAL A 494
SER A 395
OCS  A 399 ( 4.2A)
OCS  A 399 ( 3.6A)
None
None
1.20A 1rs7A-5jmuA:
undetectable
1rs7A-5jmuA:
19.91
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.
1SGU_B_MK1B2632_2
(POL POLYPROTEIN)
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus)
5 / 12 GLY A 314
ALA A 313
ILE A 250
ILE A 303
ALA A 265
None
OCS  A 246 ( 3.5A)
OCS  A 246 ( 4.2A)
None
OCS  A 246 ( 4.0A)
0.84A 1sguB-4fdyA:
undetectable
1sguB-4fdyA:
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.
1SH9_B_RITB301_1
(POL POLYPROTEIN)
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima)
5 / 8 ALA A 167
ILE A  77
ILE A  74
GLY A  90
ILE A  87
None
None
None
OCS  A  88 ( 3.9A)
OCS  A  88 ( 4.0A)
1.23A 1sh9A-1o1yA:
undetectable
1sh9A-1o1yA:
18.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAK_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus)
7 / 12 PRO A  87
GLY A 111
SER A 130
LEU A 136
GLY A 138
GLY A 139
PRO A 142
OCS  A  86 ( 2.5A)
None
OCS  A  86 ( 3.8A)
None
None
None
None
0.66A 1uakA-3ky7A:
19.8
1uakA-3ky7A:
43.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAK_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus)
7 / 12 PRO A  87
SER A 130
VAL A 135
LEU A 136
GLY A 138
GLY A 139
PRO A 142
OCS  A  86 ( 2.5A)
OCS  A  86 ( 3.8A)
None
None
None
None
None
0.70A 1uakA-3ky7A:
19.8
1uakA-3ky7A:
43.06
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.
2AZQ_A_PCFA954_0
(CATECHOL
1,2-DIOXYGENASE)
5txw PEPTIDASE
(Thermococcus
thioreducens)
5 / 9 LEU A 165
ALA A  97
LEU A  67
GLU A  15
LEU A 154
None
None
None
OCS  A 100 ( 2.4A)
None
1.44A 2azqA-5txwA:
undetectable
2azqA-5txwA:
20.83
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.
2BR4_D_SAMD301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
2p8e PPM1B BETA ISOFORM
VARIANT 6

(Homo
sapiens)
3 / 3 LYS A 243
ASP A 114
ASP A  60
OCS  A 242 (-3.0A)
None
MG  A 306 (-2.5A)
0.99A 2br4D-2p8eA:
undetectable
2br4D-2p8eA:
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.
2G72_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)
4rpa PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Staphylococcus
aureus)
5 / 12 LEU A 109
ILE A  95
VAL A  74
HIS A  76
ALA A  35
OCS  A 110 ( 3.6A)
None
None
None
None
1.12A 2g72B-4rpaA:
undetectable
2g72B-4rpaA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H77_A_T3A1_1
(THRA PROTEIN)
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima)
5 / 12 ILE A  20
ARG A 179
LEU A  14
LEU A  85
ILE A  87
None
SO4  A 409 (-4.1A)
None
None
OCS  A  88 ( 4.0A)
1.02A 2h77A-1o1yA:
0.0
2h77A-1o1yA:
24.23
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.
2NV4_A_SAMA201_0
(UPF0066 PROTEIN
AF_0241)
2hl9 UBIQUITIN-LIKE-SPECI
FIC PROTEASE 1

(Saccharomyces
cerevisiae)
5 / 12 ASP A 531
PRO A 507
GLY A 581
LEU A 449
LEU A 510
None
None
OCS  A 580 ( 2.4A)
None
None
1.34A 2nv4A-2hl9A:
undetectable
2nv4A-2hl9A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)
1lme PEPTIDE DEFORMYLASE
(Thermotoga
maritima)
5 / 12 PHE A  90
ILE A  97
GLY A  86
HIS A 129
HIS A 133
OCS  A  87 ( 4.4A)
None
OCS  A  87 ( 2.4A)
OCS  A  87 ( 3.9A)
OCS  A  87 ( 4.0A)
1.20A 2pgfA-1lmeA:
undetectable
2pgfA-1lmeA:
18.50
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.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)
1lme PEPTIDE DEFORMYLASE
(Thermotoga
maritima)
5 / 12 PHE A  90
ILE A  97
GLY A  86
HIS A 129
HIS A 133
OCS  A  87 ( 4.4A)
None
OCS  A  87 ( 2.4A)
OCS  A  87 ( 3.9A)
OCS  A  87 ( 4.0A)
1.17A 2pgrA-1lmeA:
undetectable
2pgrA-1lmeA:
18.50
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))
2wfi PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
G

(Homo
sapiens)
4 / 6 PHE A  26
PHE A  40
GLY A  76
GLY A  77
None
None
OCS  A  63 ( 4.5A)
OCS  A  63 ( 3.2A)
0.80A 2qr2A-2wfiA:
undetectable
2qr2B-2wfiA:
undetectable
2qr2A-2wfiA:
24.57
2qr2B-2wfiA:
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.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))
2wfi PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
G

(Homo
sapiens)
4 / 5 GLY A  76
GLY A  77
PHE A  26
PHE A  40
OCS  A  63 ( 4.5A)
OCS  A  63 ( 3.2A)
None
None
0.74A 2qr2A-2wfiA:
undetectable
2qr2B-2wfiA:
undetectable
2qr2A-2wfiA:
24.57
2qr2B-2wfiA:
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.
2QX4_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2wfi PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
G

(Homo
sapiens)
4 / 8 PHE A  26
PHE A  40
GLY A  76
GLY A  77
None
None
OCS  A  63 ( 4.5A)
OCS  A  63 ( 3.2A)
0.70A 2qx4A-2wfiA:
undetectable
2qx4B-2wfiA:
undetectable
2qx4A-2wfiA:
24.57
2qx4B-2wfiA:
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.
2QX6_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2wfi PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
G

(Homo
sapiens)
4 / 6 PHE A  26
PHE A  40
GLY A  76
GLY A  77
None
None
OCS  A  63 ( 4.5A)
OCS  A  63 ( 3.2A)
0.70A 2qx6A-2wfiA:
undetectable
2qx6B-2wfiA:
undetectable
2qx6A-2wfiA:
24.57
2qx6B-2wfiA:
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.
2R5P_B_MK1B902_1
(PROTEASE)
5txw PEPTIDASE
(Thermococcus
thioreducens)
5 / 12 VAL A  76
GLY A  70
GLY A  69
ILE A  99
ILE A 105
None
OCS  A 100 ( 3.7A)
OCS  A 100 ( 3.0A)
OCS  A 100 ( 3.7A)
None
0.98A 2r5pA-5txwA:
undetectable
2r5pA-5txwA:
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.
2R5P_D_MK1D902_1
(PROTEASE)
5txw PEPTIDASE
(Thermococcus
thioreducens)
5 / 12 VAL A  76
GLY A  70
GLY A  69
ILE A  99
ILE A 105
None
OCS  A 100 ( 3.7A)
OCS  A 100 ( 3.0A)
OCS  A 100 ( 3.7A)
None
0.98A 2r5pC-5txwA:
undetectable
2r5pC-5txwA:
19.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RLC_A_GLYA333_0
(CHOLOYLGLYCINE
HYDROLASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
3 / 3 ASN A  79
ASN A 171
ARG A 224
OCS  A   2 ( 3.7A)
OCS  A   2 ( 3.2A)
OCS  A   2 ( 3.3A)
0.77A 2rlcA-5hkeA:
42.3
2rlcA-5hkeA:
36.66
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.
2V2G_A_BEZA1222_0
(PEROXIREDOXIN 6)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
4 / 7 THR A  43
PRO A  44
VAL A  45
ARG A 121
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
0.59A 2v2gA-5xbqA:
24.4
2v2gB-5xbqA:
24.6
2v2gA-5xbqA:
undetectable
2v2gB-5xbqA:
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.
2V2G_B_BEZB1220_0
(PEROXIREDOXIN 6)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
4 / 7 THR A  43
PRO A  44
VAL A  45
ARG A 121
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
0.57A 2v2gA-5xbqA:
24.4
2v2gB-5xbqA:
24.6
2v2gA-5xbqA:
undetectable
2v2gB-5xbqA:
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.
2V2G_C_BEZC1222_0
(PEROXIREDOXIN 6)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
4 / 7 THR A  43
PRO A  44
VAL A  45
ARG A 121
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
0.58A 2v2gC-5xbqA:
24.4
2v2gD-5xbqA:
24.5
2v2gC-5xbqA:
undetectable
2v2gD-5xbqA:
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.
2V2G_D_BEZD1221_0
(PEROXIREDOXIN 6)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
4 / 7 THR A  43
PRO A  44
VAL A  45
ARG A 121
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
0.60A 2v2gC-5xbqA:
24.4
2v2gD-5xbqA:
24.5
2v2gC-5xbqA:
undetectable
2v2gD-5xbqA:
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.
2V32_A_BEZA1222_0
(PEROXIREDOXIN 6)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
5 / 8 THR A  43
PRO A  44
VAL A  45
ARG A 121
ALA A 140
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
None
0.50A 2v32A-5xbqA:
24.4
2v32B-5xbqA:
24.5
2v32A-5xbqA:
undetectable
2v32B-5xbqA:
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.
2V32_C_BEZC1222_0
(PEROXIREDOXIN 6)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
5 / 8 PRO A  39
THR A  43
PRO A  44
VAL A  45
ARG A 121
OCS  A  46 ( 3.3A)
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
0.57A 2v32C-5xbqA:
24.4
2v32D-5xbqA:
25.7
2v32C-5xbqA:
undetectable
2v32D-5xbqA:
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.
2V32_D_BEZD1221_0
(PEROXIREDOXIN 6)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
4 / 8 THR A  43
PRO A  44
VAL A  45
ARG A 121
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
0.58A 2v32C-5xbqA:
24.4
2v32D-5xbqA:
25.7
2v32C-5xbqA:
undetectable
2v32D-5xbqA:
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.
2V41_A_BEZA1222_0
(PEROXIREDOXIN 6.)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
6 / 9 PRO A  39
THR A  43
PRO A  44
VAL A  45
ARG A 121
ALA A 140
OCS  A  46 ( 3.3A)
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
None
0.52A 2v41A-5xbqA:
21.8
2v41B-5xbqA:
24.4
2v41A-5xbqA:
undetectable
2v41B-5xbqA:
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.
2V41_B_BEZB1222_0
(PEROXIREDOXIN 6.)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
6 / 9 PRO A  39
THR A  43
PRO A  44
VAL A  45
ARG A 121
ALA A 140
OCS  A  46 ( 3.3A)
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
None
0.54A 2v41A-5xbqA:
24.3
2v41B-5xbqA:
24.4
2v41A-5xbqA:
undetectable
2v41B-5xbqA:
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.
2V41_C_BEZC1218_0
(PEROXIREDOXIN 6.)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
5 / 8 PRO A  39
THR A  43
PRO A  44
VAL A  45
ARG A 121
OCS  A  46 ( 3.3A)
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
0.58A 2v41C-5xbqA:
25.9
2v41D-5xbqA:
26.2
2v41C-5xbqA:
undetectable
2v41D-5xbqA:
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.
2V41_D_BEZD1222_0
(PEROXIREDOXIN 6.)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
5 / 8 PRO A  39
THR A  43
PRO A  44
VAL A  45
ARG A 121
OCS  A  46 ( 3.3A)
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
0.60A 2v41C-5xbqA:
25.9
2v41D-5xbqA:
26.2
2v41C-5xbqA:
undetectable
2v41D-5xbqA:
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.
2V41_E_BEZE1222_0
(PEROXIREDOXIN 6.)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
4 / 7 THR A  43
PRO A  44
VAL A  45
ARG A 121
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
0.49A 2v41E-5xbqA:
24.2
2v41F-5xbqA:
24.4
2v41E-5xbqA:
undetectable
2v41F-5xbqA:
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.
2V41_F_BEZF1222_0
(PEROXIREDOXIN 6.)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
4 / 7 THR A  43
PRO A  44
VAL A  45
ARG A 121
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
0.58A 2v41E-5xbqA:
24.2
2v41F-5xbqA:
24.4
2v41E-5xbqA:
undetectable
2v41F-5xbqA:
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.
2V41_G_BEZG1222_0
(PEROXIREDOXIN 6.)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
5 / 8 THR A  43
PRO A  44
VAL A  45
ARG A 121
ALA A 140
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
None
0.54A 2v41G-5xbqA:
24.5
2v41H-5xbqA:
24.3
2v41G-5xbqA:
undetectable
2v41H-5xbqA:
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.
2V41_H_BEZH1222_0
(PEROXIREDOXIN 6.)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
5 / 8 PRO A  39
THR A  43
PRO A  44
VAL A  45
ARG A 121
OCS  A  46 ( 3.3A)
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
0.57A 2v41G-5xbqA:
24.5
2v41H-5xbqA:
24.3
2v41G-5xbqA:
undetectable
2v41H-5xbqA:
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.
2WET_B_TRPB650_0
(TRYPTOPHAN
5-HALOGENASE)
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima)
5 / 10 SER A  91
ILE A   6
HIS A   8
GLN A 171
GLU A  70
OCS  A  88 ( 2.6A)
None
None
OCS  A  88 ( 4.1A)
None
1.46A 2wetB-1o1yA:
2.5
2wetB-1o1yA:
18.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AXZ_A_ADNA401_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus)
6 / 12 GLY A 111
SER A 130
LEU A 136
GLY A 138
GLY A 139
PRO A 142
None
OCS  A  86 ( 3.8A)
None
None
None
None
0.63A 3axzA-3ky7A:
20.6
3axzA-3ky7A:
44.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AXZ_A_ADNA401_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus)
6 / 12 PRO A  87
GLY A 111
SER A 130
LEU A 136
GLY A 138
GLY A 139
OCS  A  86 ( 2.5A)
None
OCS  A  86 ( 3.8A)
None
None
None
0.64A 3axzA-3ky7A:
20.6
3axzA-3ky7A:
44.00
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.
3DEU_A_SALA301_1
(TRANSCRIPTIONAL
REGULATOR SLYA)
1lme PEPTIDE DEFORMYLASE
(Thermotoga
maritima)
4 / 6 ARG A 142
ILE A 139
VAL A 137
HIS A 133
None
OCS  A  87 ( 4.6A)
None
OCS  A  87 ( 4.0A)
1.04A 3deuA-1lmeA:
undetectable
3deuA-1lmeA:
24.87
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.
3DEU_B_SALB302_1
(TRANSCRIPTIONAL
REGULATOR SLYA)
1lme PEPTIDE DEFORMYLASE
(Thermotoga
maritima)
4 / 5 ARG A 142
ILE A 139
VAL A 137
HIS A 133
None
OCS  A  87 ( 4.6A)
None
OCS  A  87 ( 4.0A)
1.11A 3deuB-1lmeA:
0.0
3deuB-1lmeA:
24.87
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima)
5 / 12 MET A 181
THR A 180
VAL A 134
ALA A 206
ILE A  87
None
None
None
None
OCS  A  88 ( 4.0A)
1.12A 3dl9B-1o1yA:
0.0
3dl9B-1o1yA:
19.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DMT_C_CCSC166_0
(GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
GLYCOSOMAL)
5c7o GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
TESTIS-SPECIFIC

(Homo
sapiens)
4 / 8 ASN O 388
TYR O 392
ASN O 227
TYR O 386
NAD  O 501 (-3.9A)
NAD  O 501 (-2.7A)
OCS  O 224 ( 4.8A)
OCS  O 224 ( 4.0A)
0.94A 3dmtC-5c7oO:
49.8
3dmtC-5c7oO:
52.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DMT_C_CCSC166_0
(GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
GLYCOSOMAL)
5c7o GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
TESTIS-SPECIFIC

(Homo
sapiens)
8 / 8 SER O 223
THR O 225
ASN O 227
CYH O 228
HIS O 251
TYR O 386
ASN O 388
TYR O 392
OCS  O 224 ( 3.4A)
OCS  O 224 ( 4.2A)
OCS  O 224 ( 4.8A)
None
OCS  O 224 ( 3.9A)
OCS  O 224 ( 4.0A)
NAD  O 501 (-3.9A)
NAD  O 501 (-2.7A)
0.24A 3dmtC-5c7oO:
49.8
3dmtC-5c7oO:
52.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DMT_C_CCSC166_0
(GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
GLYCOSOMAL)
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Naegleria
gruberi)
4 / 8 ASN A 314
TYR A 318
ASN A 152
TYR A 312
NAD  A 401 (-3.7A)
NAD  A 401 (-3.5A)
None
OCS  A 149 ( 4.1A)
0.94A 3dmtC-5ur0A:
49.7
3dmtC-5ur0A:
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.
3DMT_C_CCSC166_0
(GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
GLYCOSOMAL)
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Naegleria
gruberi)
8 / 8 SER A 148
THR A 150
ASN A 152
CYH A 153
HIS A 176
TYR A 312
ASN A 314
TYR A 318
OCS  A 149 ( 3.5A)
OCS  A 149 ( 3.8A)
None
None
OCS  A 149 ( 4.0A)
OCS  A 149 ( 4.1A)
NAD  A 401 (-3.7A)
NAD  A 401 (-3.5A)
0.24A 3dmtC-5ur0A:
49.7
3dmtC-5ur0A:
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.
3DRC_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)
3sho TRANSCRIPTIONAL
REGULATOR, RPIR
FAMILY

(Sphaerobacter
thermophilus)
5 / 12 ALA A 126
LEU A 231
ILE A 187
LEU A 152
ILE A 131
None
None
None
None
OCS  A 132 ( 3.7A)
1.08A 3drcB-3shoA:
undetectable
3drcB-3shoA:
19.81
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.
3FSU_A_C2FA995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)
1e6y METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT
METHYL-COENZYME M
REDUCTASE SUBUNIT
GAMMA

(Methanosarcina
barkeri;
Methanosarcina
barkeri)
5 / 12 THR B2328
LEU B2397
SER C3066
ASN C3070
LEU B2313
None
None
OCS  C3065 ( 4.1A)
None
None
1.41A 3fsuA-1e6yB:
undetectable
3fsuA-1e6yB:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H0A_A_9RAA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1e6y METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanosarcina
barkeri)
6 / 12 ALA B2205
ALA B2393
LEU B2397
ALA B2396
VAL B2265
ILE B2262
OCS  C3065 ( 3.6A)
None
None
None
None
None
1.44A 3h0aA-1e6yB:
undetectable
3h0aA-1e6yB:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)
2voa EXODEOXYRIBONUCLEASE
III

(Archaeoglobus
fulgidus)
4 / 5 LYS A 120
GLN A 122
LEU A 124
GLU A 125
OCS  A 167 ( 3.0A)
None
None
None
0.85A 3h5gA-2voaA:
undetectable
3h5gB-2voaA:
undetectable
3h5gA-2voaA:
9.39
3h5gB-2voaA:
9.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H9U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)
5vrb TRANSKETOLASE
(Neisseria
gonorrhoeae)
5 / 10 ASN A  61
LEU A  59
GLY A  62
HIS A  63
PHE A  87
OCS  A 154 ( 4.3A)
None
None
CA  A 704 ( 4.9A)
None
1.26A 3h9uB-5vrbA:
2.6
3h9uB-5vrbA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HS6_B_EPAB1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Naegleria
gruberi)
5 / 12 TYR A 312
ASN A 222
GLY A 209
ALA A 210
GLY A 215
OCS  A 149 ( 4.1A)
None
None
None
None
0.90A 3hs6B-5ur0A:
undetectable
3hs6B-5ur0A:
11.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAY_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)
4o5a LACI FAMILY
TRANSCRIPTION
REGULATOR

(Bifidobacterium
animalis)
5 / 12 SER A 284
MET A 286
ARG A 193
VAL A 194
ASP A 255
GOL  A 403 (-4.7A)
None
OCS  A 223 ( 4.9A)
None
None
1.46A 3jayA-4o5aA:
undetectable
3jayA-4o5aA:
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.
3KPB_C_SAMC1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)
5txw PEPTIDASE
(Thermococcus
thioreducens)
5 / 12 HIS A 101
THR A 122
VAL A 127
ILE A 107
PRO A 103
OCS  A 100 ( 3.8A)
None
None
None
OCS  A 100 ( 4.3A)
1.25A 3kpbC-5txwA:
undetectable
3kpbC-5txwA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPB_D_SAMD1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)
2p8e PPM1B BETA ISOFORM
VARIANT 6

(Homo
sapiens)
5 / 10 TRP A 274
THR A 278
ILE A 245
ILE A 290
SER A  27
None
None
OCS  A 242 ( 4.1A)
None
None
1.41A 3kpbD-2p8eA:
undetectable
3kpbD-2p8eA:
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.
3OGQ_A_AB1A200_2
(FIV PROTEASE)
3r0v ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Sphaerobacter
thermophilus)
5 / 12 LEU A 106
GLY A  84
ALA A  85
ILE A  50
SER A  98
None
None
None
OCS  A  51 ( 3.6A)
None
0.99A 3ogqB-3r0vA:
undetectable
3ogqB-3r0vA:
14.45
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.
3P2K_C_SAMC6735_0
(16S RRNA METHYLASE)
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli)
6 / 12 GLY A 253
VAL A 284
ASN A 153
ALA A 256
LEU A 250
LEU A 411
None
None
None
SO4  A 480 (-3.8A)
OCS  A 249 ( 3.7A)
SO4  A 480 (-4.3A)
1.25A 3p2kC-2iluA:
4.3
3p2kC-2iluA:
19.58
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.
3RF4_A_FUNA201_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
3gs9 PROTEIN GP18
(Listeria
monocytogenes)
5 / 11 PRO A  89
SER A  37
ILE A  38
VAL A  61
ILE A  91
None
None
OCS  A  27 ( 4.2A)
None
None
1.21A 3rf4A-3gs9A:
undetectable
3rf4C-3gs9A:
undetectable
3rf4A-3gs9A:
15.52
3rf4C-3gs9A:
15.52
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.
3RF4_B_FUNB202_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
3gs9 PROTEIN GP18
(Listeria
monocytogenes)
5 / 11 ILE A  91
PRO A  89
SER A  37
ILE A  38
VAL A  61
None
None
None
OCS  A  27 ( 4.2A)
None
1.21A 3rf4A-3gs9A:
undetectable
3rf4B-3gs9A:
undetectable
3rf4A-3gs9A:
15.52
3rf4B-3gs9A:
15.52
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.
3RF4_C_FUNC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
3gs9 PROTEIN GP18
(Listeria
monocytogenes)
5 / 11 ILE A  91
PRO A  89
SER A  37
ILE A  38
VAL A  61
None
None
None
OCS  A  27 ( 4.2A)
None
1.23A 3rf4B-3gs9A:
undetectable
3rf4C-3gs9A:
undetectable
3rf4B-3gs9A:
15.52
3rf4C-3gs9A:
15.52
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.
3ROZ_A_NCAA266_0
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)
4hpe PUTATIVE CELL WALL
HYDROLASE
TN916-LIKE,CTN1-ORF1
7

(Clostridioides
difficile)
4 / 6 LEU A 281
ALA A 221
LEU A 245
THR A 246
None
None
OCS  A 242 ( 4.4A)
OCS  A 242 ( 3.4A)
1.12A 3rozA-4hpeA:
undetectable
3rozA-4hpeA:
21.66
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.
3SUE_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)
4oh1 L-IDITOL
2-DEHYDROGENASE

([Clostridium]
scindens)
5 / 12 HIS A  73
GLY A  72
GLY A  46
SER A  47
SER A 164
ZN  A 401 (-3.5A)
None
OCS  A  45 ( 2.4A)
OCS  A  45 ( 3.0A)
None
1.20A 3sueD-4oh1A:
undetectable
3sueD-4oh1A:
19.48
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.
3T7S_D_SAMD300_0
(PUTATIVE
METHYLTRANSFERASE)
5txw PEPTIDASE
(Thermococcus
thioreducens)
5 / 12 GLY A 102
GLN A 104
PHE A   5
GLU A  74
ALA A  72
OCS  A 100 ( 4.5A)
None
None
None
None
1.30A 3t7sD-5txwA:
undetectable
3t7sD-5txwA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)
2pn0 PROKARYOTIC
TRANSCRIPTION
ELONGATION FACTOR
GREA/GREB

(Nitrosomonas
europaea)
3 / 3 PHE A  63
LYS A  74
SER A  59
None
OCS  A  73 ( 3.5A)
None
1.35A 3tyeB-2pn0A:
undetectable
3tyeB-2pn0A:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5K_A_08JA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
3zxo REDOX SENSOR
HISTIDINE KINASE
RESPONSE REGULATOR
DEVS

(Mycobacterium
tuberculosis)
4 / 8 VAL A 485
LEU A 456
LEU A 482
ILE A 525
None
None
None
OCS  A 524 ( 4.0A)
0.87A 3u5kA-3zxoA:
undetectable
3u5kA-3zxoA:
16.67
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.
3U5K_C_08JC3_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
3zxo REDOX SENSOR
HISTIDINE KINASE
RESPONSE REGULATOR
DEVS

(Mycobacterium
tuberculosis)
4 / 8 VAL A 485
LEU A 456
LEU A 482
ILE A 525
None
None
None
OCS  A 524 ( 4.0A)
0.87A 3u5kC-3zxoA:
undetectable
3u5kC-3zxoA:
16.67
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.
3UQ6_A_ADNA401_2
(ADENOSINE KINASE,
PUTATIVE)
3uk1 TRANSKETOLASE
(Burkholderia
thailandensis)
4 / 5 LEU A 201
MET A  53
PHE A  80
ASN A  84
None
None
None
OCS  A 177 ( 4.2A)
1.29A 3uq6A-3uk1A:
undetectable
3uq6A-3uk1A:
19.44
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.
3UQB_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus)
4 / 8 VAL A 218
ILE A 221
TYR A 254
ILE A 250
None
None
None
OCS  A 246 ( 4.2A)
0.84A 3uqbA-4fdyA:
undetectable
3uqbA-4fdyA:
21.73
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
4bwc PHOSPHOLIPASE B-LIKE
1

(Bos
taurus)
5 / 11 TYR B 352
LEU A 118
GLN B 298
ILE A 196
TYR B 288
None
None
OCS  B 225 ( 4.9A)
None
None
1.37A 4a7aA-4bwcB:
undetectable
4a7aA-4bwcB:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ARC_A_LEUA1001_0
(LEUCINE--TRNA LIGASE)
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus)
4 / 7 TYR A 233
ASP A 245
SER A 247
HIS A 300
None
OCS  A 246 ( 4.2A)
OCS  A 246 ( 3.5A)
OCS  A 246 ( 3.8A)
1.36A 4arcA-4fdyA:
undetectable
4arcA-4fdyA:
16.91
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.
4ARC_A_LEUA1001_0
(LEUCINE--TRNA LIGASE)
4hpe PUTATIVE CELL WALL
HYDROLASE
TN916-LIKE,CTN1-ORF1
7

(Clostridioides
difficile)
4 / 7 TYR A 229
ASP A 241
SER A 243
HIS A 296
OCS  A 242 ( 4.7A)
OCS  A 242 ( 4.1A)
OCS  A 242 ( 3.6A)
OCS  A 242 ( 3.7A)
1.26A 4arcA-4hpeA:
undetectable
4arcA-4hpeA:
16.02
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.
4D33_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
5jmu PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

([Eubacterium]
rectale)
4 / 5 GLY A 401
ILE A 402
VAL A 494
SER A 395
OCS  A 399 ( 4.2A)
OCS  A 399 ( 3.6A)
None
None
1.19A 4d33B-5jmuA:
undetectable
4d33B-5jmuA:
20.19
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.
4DFR_B_MTXB162_1
(DIHYDROFOLATE
REDUCTASE)
3sho TRANSCRIPTIONAL
REGULATOR, RPIR
FAMILY

(Sphaerobacter
thermophilus)
5 / 12 ALA A 126
LEU A 231
ILE A 187
LEU A 152
ILE A 131
None
None
None
None
OCS  A 132 ( 3.7A)
1.09A 4dfrB-3shoA:
undetectable
4dfrB-3shoA:
19.81
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.
4DM8_A_REAA501_1
(RETINOIC ACID
RECEPTOR BETA)
3gs9 PROTEIN GP18
(Listeria
monocytogenes)
5 / 11 PHE A  26
LEU A  18
ILE A   6
PHE A 310
ILE A  86
OCS  A  27 ( 4.1A)
None
None
None
None
1.14A 4dm8A-3gs9A:
undetectable
4dm8A-3gs9A:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1G_A_LNLA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Naegleria
gruberi)
5 / 12 TYR A 312
ASN A 222
GLY A 209
ALA A 210
GLY A 215
OCS  A 149 ( 4.1A)
None
None
None
None
0.82A 4e1gA-5ur0A:
undetectable
4e1gA-5ur0A:
11.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F84_A_SAMA501_0
(GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E)
3rh0 ARSENATE REDUCTASE
(Corynebacterium
glutamicum)
5 / 12 GLY A  13
GLY A  10
LEU A  80
MET A  17
VAL A 115
OCS  A   8 ( 4.5A)
OCS  A   8 ( 4.1A)
None
None
None
1.12A 4f84A-3rh0A:
2.4
4f84A-3rh0A:
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.
4IJI_F_BEZF501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)
3o5a PERIPLASMIC NITRATE
REDUCTASE

(Cupriavidus
necator)
4 / 8 ASN A 358
ALA A 156
SER A 155
ARG A 392
None
None
OCS  A 784 ( 3.2A)
None
1.18A 4ijiF-3o5aA:
undetectable
4ijiF-3o5aA:
13.45
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.
4KLA_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)
2f1k PREPHENATE
DEHYDROGENASE

(Synechocystis
sp.
PCC
6803)
4 / 8 LEU A 158
LEU A 155
LEU A 151
VAL A   5
None
None
OCS  A 150 ( 4.6A)
None
0.89A 4klaA-2f1kA:
2.1
4klaA-2f1kA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KRH_B_SAMB900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli)
5 / 12 GLY A 229
GLY A 253
LEU A 250
ALA A 233
ILE A 149
NDP  A 482 (-3.5A)
None
OCS  A 249 ( 3.7A)
NDP  A 482 (-3.2A)
NDP  A 482 (-4.1A)
1.12A 4krhB-2iluA:
4.8
4krhB-2iluA:
22.69
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.
4L8F_B_MTXB301_1
(GAMMA-GLUTAMYL
HYDROLASE)
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima)
5 / 11 GLY A  53
GLY A  54
LEU A  89
HIS A 138
HIS A 173
OCS  A  88 ( 3.5A)
OCS  A  88 (-4.2A)
OCS  A  88 ( 4.7A)
None
OCS  A  88 ( 3.9A)
0.72A 4l8fB-1o1yA:
17.3
4l8fB-1o1yA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L8F_D_MTXD301_1
(GAMMA-GLUTAMYL
HYDROLASE)
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima)
5 / 11 GLY A  53
GLY A  54
LEU A  89
HIS A 138
HIS A 173
OCS  A  88 ( 3.5A)
OCS  A  88 (-4.2A)
OCS  A  88 ( 4.7A)
None
OCS  A  88 ( 3.9A)
0.73A 4l8fD-1o1yA:
17.4
4l8fD-1o1yA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LNW_A_T3A502_1
(THYROID HORMONE
RECEPTOR ALPHA)
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus)
4 / 8 SER A 247
GLN A 268
VAL A 298
THR A 296
OCS  A 246 ( 3.5A)
None
None
None
1.12A 4lnwA-4fdyA:
undetectable
4lnwA-4fdyA:
21.52
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.
4LNX_A_T44A501_1
(THYROID HORMONE
RECEPTOR ALPHA)
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus)
4 / 6 SER A 247
GLN A 268
VAL A 298
THR A 296
OCS  A 246 ( 3.5A)
None
None
None
1.25A 4lnxA-4fdyA:
undetectable
4lnxA-4fdyA:
21.52
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.
4M2X_E_TMQE202_1
(DIHYDROFOLATE
REDUCTASE)
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus)
5 / 12 ILE A 221
ASP A 245
ARG A 263
LEU A 285
ILE A 303
None
OCS  A 246 ( 4.2A)
None
None
None
1.08A 4m2xE-4fdyA:
undetectable
4m2xE-4fdyA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MA3_L_ACTL301_0
(C2095 HEAVY CHAIN
C2095 LIGHT CHAIN)
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris)
3 / 3 PRO B  79
ASN B 113
HIS B 173
OCS  B  75 ( 3.1A)
H2S  B 503 (-4.1A)
None
1.00A 4ma3H-3ze7B:
undetectable
4ma3L-3ze7B:
undetectable
4ma3H-3ze7B:
18.59
4ma3L-3ze7B:
20.04
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.
4MMC_A_29JA603_1
(TRANSPORTER)
2p8e PPM1B BETA ISOFORM
VARIANT 6

(Homo
sapiens)
5 / 10 VAL A  58
TYR A  59
GLY A 150
GLY A 136
ASP A  38
None
None
None
None
OCS  A 242 ( 2.7A)
1.43A 4mmcA-2p8eA:
undetectable
4mmcA-2p8eA:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
3fgt PUTATIVE
PHOSPHOLIPASE B-LIKE
2 40 KDA FORM

(Mus
musculus)
4 / 8 SER B 305
HIS B 266
TYR B 307
GLU B 328
None
OCS  B 249 ( 4.3A)
None
NA  B 606 (-2.7A)
1.27A 4ms4A-3fgtB:
undetectable
4ms4A-3fgtB:
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
3fgt PUTATIVE
PHOSPHOLIPASE B-LIKE
2 40 KDA FORM

(Mus
musculus)
4 / 8 SER B 305
HIS B 266
TYR B 307
ILE B 536
None
OCS  B 249 ( 4.3A)
None
None
1.35A 4ms4A-3fgtB:
undetectable
4ms4A-3fgtB:
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.
4N09_B_ADNB401_1
(ADENOSINE KINASE)
4oh1 L-IDITOL
2-DEHYDROGENASE

([Clostridium]
scindens)
5 / 12 LEU A 162
GLY A 182
GLY A 183
ALA A 161
GLY A  46
None
None
None
None
OCS  A  45 ( 2.4A)
0.96A 4n09B-4oh1A:
5.6
4n09B-4oh1A:
22.65
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.
4N09_C_ADNC401_1
(ADENOSINE KINASE)
4oh1 L-IDITOL
2-DEHYDROGENASE

([Clostridium]
scindens)
6 / 12 LEU A 162
GLY A 182
GLY A 183
ALA A 161
LEU A 191
GLY A  46
None
None
None
None
None
OCS  A  45 ( 2.4A)
1.19A 4n09C-4oh1A:
4.9
4n09C-4oh1A:
22.65
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.
4N09_C_ADNC401_2
(ADENOSINE KINASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
4 / 5 ASN A  79
LEU A 139
LEU A 136
ASN A 127
OCS  A   2 ( 3.7A)
None
None
None
1.26A 4n09C-5hkeA:
undetectable
4n09C-5hkeA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_D_ADND401_1
(ADENOSINE KINASE)
4oh1 L-IDITOL
2-DEHYDROGENASE

([Clostridium]
scindens)
5 / 12 LEU A 162
GLY A 182
GLY A 183
ALA A 161
GLY A  46
None
None
None
None
OCS  A  45 ( 2.4A)
0.97A 4n09D-4oh1A:
5.6
4n09D-4oh1A:
22.65
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.
4NX6_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3sho TRANSCRIPTIONAL
REGULATOR, RPIR
FAMILY

(Sphaerobacter
thermophilus)
5 / 12 ALA A 126
LEU A 231
ILE A 187
LEU A 152
ILE A 131
None
None
None
None
OCS  A 132 ( 3.7A)
1.07A 4nx6A-3shoA:
2.4
4nx6A-3shoA:
20.29
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.
4NX7_A_FOLA202_0
(DIHYDROFOLATE
REDUCTASE)
3sho TRANSCRIPTIONAL
REGULATOR, RPIR
FAMILY

(Sphaerobacter
thermophilus)
5 / 12 ALA A 126
LEU A 231
ILE A 187
LEU A 152
ILE A 131
None
None
None
None
OCS  A 132 ( 3.7A)
1.10A 4nx7A-3shoA:
2.4
4nx7A-3shoA:
20.29
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.
4OBW_A_SAMA602_1
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)
3o5a PERIPLASMIC NITRATE
REDUCTASE

(Cupriavidus
necator)
3 / 3 ASP A 146
ASN A 143
SER A 787
None
None
OCS  A 784 ( 3.2A)
0.76A 4obwA-3o5aA:
3.6
4obwA-3o5aA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
4 / 5 ASP A  21
LEU A  20
ARG A  16
THR A 264
None
None
OCS  A   2 ( 4.1A)
None
1.39A 4p3qA-5hkeA:
undetectable
4p3qA-5hkeA:
20.18
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.
4PFJ_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)
3fgt PUTATIVE
PHOSPHOLIPASE B-LIKE
2 40 KDA FORM

(Mus
musculus)
4 / 6 GLN B 408
THR B 268
HIS B 266
ASN B 354
None
OCS  B 249 ( 4.0A)
OCS  B 249 ( 4.3A)
None
1.37A 4pfjB-3fgtB:
undetectable
4pfjB-3fgtB:
21.78
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.
4PST_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3sho TRANSCRIPTIONAL
REGULATOR, RPIR
FAMILY

(Sphaerobacter
thermophilus)
5 / 12 ALA A 126
LEU A 231
ILE A 187
LEU A 152
ILE A 131
None
None
None
None
OCS  A 132 ( 3.7A)
1.05A 4pstA-3shoA:
undetectable
4pstA-3shoA:
20.29
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.
4PTJ_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)
5yhh UNCHARACTERIZED
CONSERVED PROTEIN
YIIM

(Geobacillus
stearothermophil
us)
3 / 3 ASP A  26
LYS A 120
LEU A 131
None
OCS  A 119 ( 3.1A)
None
1.08A 4ptjA-5yhhA:
undetectable
4ptjA-5yhhA:
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.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
1kcz BETA-METHYLASPARTASE
(Clostridium
tetanomorphum)
5 / 12 GLY A 394
GLY A 388
GLY A  14
ASN A 362
ALA A 385
None
OCS  A 361 ( 3.5A)
OCS  A 361 ( 3.4A)
None
None
1.01A 4uciA-1kczA:
undetectable
4uciA-1kczA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCI_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
1kcz BETA-METHYLASPARTASE
(Clostridium
tetanomorphum)
5 / 12 GLY A 394
GLY A 388
GLY A  14
ASN A 362
ALA A 385
None
OCS  A 361 ( 3.5A)
OCS  A 361 ( 3.4A)
None
None
1.01A 4uciB-1kczA:
undetectable
4uciB-1kczA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UUU_B_SAMB1548_0
(CYSTATHIONINE
BETA-SYNTHASE)
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Naegleria
gruberi)
5 / 11 SER A 148
LEU A 154
PRO A 156
VAL A 129
THR A 127
OCS  A 149 ( 3.5A)
None
None
None
PGE  A 402 (-4.7A)
1.23A 4uuuB-5ur0A:
undetectable
4uuuB-5ur0A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus)
6 / 12 GLY A 111
SER A 130
LEU A 136
GLY A 138
GLY A 139
PRO A 142
None
OCS  A  86 ( 3.8A)
None
None
None
None
0.67A 4yvgA-3ky7A:
19.7
4yvgA-3ky7A:
44.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus)
5 / 12 PRO A  87
GLY A 111
GLU A 114
GLY A 138
GLY A 139
OCS  A  86 ( 2.5A)
None
None
None
None
1.06A 4yvgA-3ky7A:
19.7
4yvgA-3ky7A:
44.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus)
6 / 12 PRO A  87
GLY A 111
SER A 130
LEU A 136
GLY A 138
GLY A 139
OCS  A  86 ( 2.5A)
None
OCS  A  86 ( 3.8A)
None
None
None
0.63A 4yvgA-3ky7A:
19.7
4yvgA-3ky7A:
44.00
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.
5C6P_A_4YHA601_1
(PROTEIN C)
1e6y METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT
METHYL-COENZYME M
REDUCTASE SUBUNIT
GAMMA

(Methanosarcina
barkeri)
4 / 6 ALA B2210
SER B2209
SER C3066
ASP B2009
None
None
OCS  C3065 ( 4.1A)
None
1.09A 5c6pA-1e6yB:
0.0
5c6pA-1e6yB:
23.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DXB_B_ESTB601_1
(ESTROGEN RECEPTOR)
4uup MALATE DEHYDROGENASE
(synthetic
construct)
5 / 11 ALA A 247
LEU A  29
ARG A 253
ILE A   9
GLY A  17
OCS  A 250 (-4.4A)
None
OCS  A 250 (-3.4A)
None
None
1.12A 5dxbB-4uupA:
undetectable
5dxbB-4uupA:
19.83
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.
5DZK_2_BEZ2801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)
1lme PEPTIDE DEFORMYLASE
(Thermotoga
maritima)
4 / 4 LEU A 138
ARG A  99
ILE A 139
ILE A  97
OCS  A  87 ( 4.8A)
None
OCS  A  87 ( 4.6A)
None
1.33A 5dzk2-1lmeA:
undetectable
5dzkM-1lmeA:
undetectable
5dzkN-1lmeA:
undetectable
5dzk2-1lmeA:
1.23
5dzkM-1lmeA:
21.60
5dzkN-1lmeA:
21.60
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.
5DZK_V_BEZV801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)
1lme PEPTIDE DEFORMYLASE
(Thermotoga
maritima)
4 / 4 ILE A 139
ILE A  97
ARG A  99
LEU A 138
OCS  A  87 ( 4.6A)
None
None
OCS  A  87 ( 4.8A)
1.34A 5dzkh-1lmeA:
undetectable
5dzkn-1lmeA:
0.0
5dzkv-1lmeA:
undetectable
5dzkh-1lmeA:
21.60
5dzkn-1lmeA:
21.60
5dzkv-1lmeA:
1.23
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)
2voa EXODEOXYRIBONUCLEASE
III

(Archaeoglobus
fulgidus)
5 / 12 HIS A 165
ASP A 218
HIS A 248
ASP A 146
GLY A 217
OCS  A 167 ( 4.1A)
None
None
None
None
1.19A 5eenA-2voaA:
undetectable
5eenA-2voaA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERS_A_ACTA803_0
(GEPHYRIN)
5c7o GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
TESTIS-SPECIFIC

(Homo
sapiens)
3 / 3 THR O 226
ALA O 222
ASN O 227
None
None
OCS  O 224 ( 4.8A)
0.55A 5ersA-5c7oO:
2.3
5ersA-5c7oO:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EWU_B_BEZB1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)
3rh0 ARSENATE REDUCTASE
(Corynebacterium
glutamicum)
4 / 6 GLY A  36
THR A  37
SER A  15
VAL A   7
OCS  A   8 ( 3.1A)
OCS  A   8 ( 3.6A)
OCS  A   8 ( 2.6A)
OCS  A   8 ( 2.9A)
1.01A 5ewuB-3rh0A:
undetectable
5ewuB-3rh0A:
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.
5FSA_A_X2NA590_2
(CYP51 VARIANT1)
4cit VANADIUM-DEPENDENT
HALOPEROXIDASE

(Zobellia
galactanivorans)
3 / 3 PRO A 262
ILE A 254
SER A  50
OCS  A 260 ( 4.9A)
None
None
0.80A 5fsaA-4citA:
undetectable
5fsaA-4citA:
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.
5GWX_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)
3uk1 TRANSKETOLASE
(Burkholderia
thailandensis)
5 / 12 ALA A 186
GLY A 438
GLY A 181
GLY A 145
LEU A 173
None
None
None
None
OCS  A 177 ( 4.1A)
0.86A 5gwxA-3uk1A:
2.9
5gwxA-3uk1A:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HWK_A_BEZA301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima)
5 / 10 GLY A  54
TYR A  55
LEU A  89
LEU A  67
GLU A  60
OCS  A  88 (-4.2A)
None
OCS  A  88 ( 4.7A)
None
None
1.31A 5hwkA-1o1yA:
undetectable
5hwkA-1o1yA:
21.97
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.
5HWK_A_BEZA301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima)
5 / 10 TYR A  55
LEU A  89
LEU A  67
GLU A  60
TYR A  64
None
OCS  A  88 ( 4.7A)
None
None
None
1.33A 5hwkA-1o1yA:
undetectable
5hwkA-1o1yA:
21.97
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.
5HWK_B_BEZB301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima)
5 / 10 GLY A  54
TYR A  55
LEU A  89
LEU A  67
GLU A  60
OCS  A  88 (-4.2A)
None
OCS  A  88 ( 4.7A)
None
None
1.31A 5hwkB-1o1yA:
0.0
5hwkB-1o1yA:
21.97
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.
5HWK_B_BEZB301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima)
5 / 10 TYR A  55
LEU A  89
LEU A  67
GLU A  60
TYR A  64
None
OCS  A  88 ( 4.7A)
None
None
None
1.33A 5hwkB-1o1yA:
0.0
5hwkB-1o1yA:
21.97
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.
5L8D_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)
1kcz BETA-METHYLASPARTASE
(Clostridium
tetanomorphum)
3 / 3 THR A 360
PRO A 333
ASP A 334
OCS  A 361 ( 3.3A)
None
None
0.94A 5l8dB-1kczA:
0.0
5l8dB-1kczA:
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.
5LF7_H_6V8H305_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)
3gzs UNCHARACTERIZED SUSD
SUPERFAMILY PROTEIN

(Bacteroides
fragilis)
5 / 11 ALA A 403
ALA A 387
GLY A 388
ASP A 314
LEU A 309
None
OCS  A 364 ( 3.6A)
OCS  A 364 ( 3.6A)
None
None
1.13A 5lf7H-3gzsA:
undetectable
5lf7I-3gzsA:
undetectable
5lf7H-3gzsA:
19.38
5lf7I-3gzsA:
17.22
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.
5MWU_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)
1kcz BETA-METHYLASPARTASE
(Clostridium
tetanomorphum)
3 / 3 THR A 360
PRO A 333
ASP A 334
OCS  A 361 ( 3.3A)
None
None
0.94A 5mwuB-1kczA:
0.0
5mwuB-1kczA:
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.
5N0X_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
3 / 3 SER A 231
ALA A 228
THR A   3
None
None
OCS  A   2 ( 3.8A)
0.73A 5n0xB-5hkeA:
undetectable
5n0xB-5hkeA:
20.32
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.
5OEX_A_CUA601_0
(THIOCYANATE
DEHYDROGENASE)
5xbq PEROXIREDOXIN
(Pyrococcus
horikoshii)
3 / 3 HIS A  38
ASP A  41
HIS A  78
OCS  A  46 ( 4.6A)
None
None
0.77A 5oexA-5xbqA:
undetectable
5oexA-5xbqA:
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.
5T7B_A_IPHA901_0
(PROTEIN ARGONAUTE-2)
5c7o GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
TESTIS-SPECIFIC

(Homo
sapiens)
4 / 6 PHE O 305
VAL O 250
ALA O 304
THR O 225
None
None
None
OCS  O 224 ( 4.2A)
1.01A 5t7bA-5c7oO:
2.8
5t7bA-5c7oO:
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.
5T7B_A_IPHA901_0
(PROTEIN ARGONAUTE-2)
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Naegleria
gruberi)
4 / 6 PHE A 230
VAL A 175
ALA A 229
THR A 150
None
None
None
OCS  A 149 ( 3.8A)
1.02A 5t7bA-5ur0A:
3.5
5t7bA-5ur0A:
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.
5TT3_A_EZLA303_1
(ALPHA-CARBONIC
ANHYDRASE)
3r0v ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Sphaerobacter
thermophilus)
5 / 10 VAL A  49
VAL A  23
LEU A  39
ALA A 250
PRO A 246
OCS  A  51 ( 4.4A)
None
None
None
None
1.30A 5tt3A-3r0vA:
undetectable
5tt3A-3r0vA:
23.99
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.
5TT3_C_EZLC303_1
(ALPHA-CARBONIC
ANHYDRASE)
3r0v ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Sphaerobacter
thermophilus)
5 / 10 VAL A  49
VAL A  23
LEU A  39
ALA A 250
PRO A 246
OCS  A  51 ( 4.4A)
None
None
None
None
1.33A 5tt3C-3r0vA:
undetectable
5tt3C-3r0vA:
23.99
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.
5UUN_A_ACTA310_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)
1lme PEPTIDE DEFORMYLASE
(Thermotoga
maritima)
3 / 3 GLU A 130
HIS A 129
ARG A 125
None
OCS  A  87 ( 3.9A)
None
0.97A 5uunA-1lmeA:
0.0
5uunA-1lmeA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_A_ACTA310_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)
1v3y PEPTIDE DEFORMYLASE
(Thermus
thermophilus)
3 / 3 GLU A 146
HIS A 145
ARG A 141
None
OCS  A 102 ( 3.8A)
None
0.95A 5uunA-1v3yA:
undetectable
5uunA-1v3yA:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus)
6 / 12 PRO A  87
GLY A 111
LEU A 136
GLY A 138
GLY A 139
PRO A 142
OCS  A  86 ( 2.5A)
None
None
None
None
None
0.66A 5wyqA-3ky7A:
20.2
5wyqA-3ky7A:
39.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus)
7 / 12 PRO A  87
SER A 130
VAL A 135
LEU A 136
GLY A 138
GLY A 139
PRO A 142
OCS  A  86 ( 2.5A)
OCS  A  86 ( 3.8A)
None
None
None
None
None
0.72A 5wyqA-3ky7A:
20.2
5wyqA-3ky7A:
39.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus)
8 / 12 PRO A  87
GLY A 111
SER A 130
TYR A 134
LEU A 136
GLY A 138
GLY A 139
PRO A 142
OCS  A  86 ( 2.5A)
None
OCS  A  86 ( 3.8A)
None
None
None
None
None
0.73A 5wyqB-3ky7A:
20.8
5wyqB-3ky7A:
39.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus)
6 / 12 PRO A  87
SER A 130
TYR A 134
LEU A 136
GLY A 138
PRO A 142
OCS  A  86 ( 2.5A)
OCS  A  86 ( 3.8A)
None
None
None
None
1.22A 5wyqB-3ky7A:
20.8
5wyqB-3ky7A:
39.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus)
5 / 12 TYR A 116
PRO A  87
GLY A 111
ILE A 129
GLY A 139
OCS  A  86 ( 4.6A)
OCS  A  86 ( 2.5A)
None
None
None
0.98A 5wyqB-3ky7A:
20.8
5wyqB-3ky7A:
39.11
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.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)
3pnx PUTATIVE
SULFURTRANSFERASE
DSRE

(Syntrophomonas
wolfei)
5 / 12 VAL A 124
MET A 127
GLY A  43
LEU A  22
LEU A 107
OCS  A 120 ( 3.8A)
None
None
None
None
1.47A 5x23A-3pnxA:
undetectable
5x23A-3pnxA:
17.07
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.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)
3kom TRANSKETOLASE
(Francisella
tularensis)
4 / 7 ASP A 185
ASP A 157
GLY A 158
ASN A  66
None
None
OCS  A 159 ( 2.4A)
None
1.05A 5x7pA-3komA:
undetectable
5x7pA-3komA:
20.85
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.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)
3uk1 TRANSKETOLASE
(Burkholderia
thailandensis)
4 / 7 ASP A 203
ASP A 175
GLY A 176
ASN A  84
None
None
OCS  A 177 ( 2.4A)
OCS  A 177 ( 4.2A)
1.04A 5x7pA-3uk1A:
undetectable
5x7pA-3uk1A:
20.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7P_B_CHDB401_0
(BILE SALT HYDROLASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
7 / 10 LEU A  18
LEU A  63
ASN A  79
PHE A 100
LEU A 136
ALA A 137
LEU A 139
OCS  A   2 ( 3.9A)
None
OCS  A   2 ( 3.7A)
None
None
None
None
1.39A 5y7pB-5hkeA:
52.3
5y7pB-5hkeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7P_B_CHDB401_0
(BILE SALT HYDROLASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
8 / 10 LEU A  18
TYR A  24
ILE A  56
LEU A  63
PHE A 100
LEU A 136
ALA A 137
LEU A 139
OCS  A   2 ( 3.9A)
None
None
None
None
None
None
None
1.43A 5y7pB-5hkeA:
52.3
5y7pB-5hkeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7P_C_CHDC401_0
(BILE SALT HYDROLASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
6 / 8 LEU A  18
ILE A  56
PHE A 100
LEU A 136
ALA A 137
LEU A 139
OCS  A   2 ( 3.9A)
None
None
None
None
None
1.26A 5y7pC-5hkeA:
52.3
5y7pC-5hkeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7P_C_CHDC401_0
(BILE SALT HYDROLASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
7 / 8 LEU A  20
ILE A  56
ASN A  79
PHE A 100
LEU A 136
ALA A 137
LEU A 139
None
None
OCS  A   2 ( 3.7A)
None
None
None
None
0.38A 5y7pC-5hkeA:
52.3
5y7pC-5hkeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7P_C_CHDC401_0
(BILE SALT HYDROLASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
4 / 8 LEU A  20
TYR A  24
ASN A  79
ALA A 137
None
None
OCS  A   2 ( 3.7A)
None
0.82A 5y7pC-5hkeA:
52.3
5y7pC-5hkeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7P_D_CHDD401_0
(BILE SALT HYDROLASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
6 / 10 LEU A  18
ASN A  79
PHE A 100
LEU A 136
ALA A 137
LEU A 139
OCS  A   2 ( 3.9A)
OCS  A   2 ( 3.7A)
None
None
None
None
1.23A 5y7pD-5hkeA:
52.5
5y7pD-5hkeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7P_D_CHDD401_0
(BILE SALT HYDROLASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
8 / 10 LEU A  18
TYR A  24
ILE A  56
LEU A  63
PHE A 100
LEU A 136
ALA A 137
LEU A 139
OCS  A   2 ( 3.9A)
None
None
None
None
None
None
None
1.46A 5y7pD-5hkeA:
52.5
5y7pD-5hkeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7P_E_CHDE401_0
(BILE SALT HYDROLASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
7 / 8 ILE A  56
ASN A  79
PHE A 100
LEU A 134
LEU A 136
ALA A 137
LEU A 139
None
OCS  A   2 ( 3.7A)
None
None
None
None
None
0.37A 5y7pE-5hkeA:
52.4
5y7pE-5hkeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
7 / 10 ASN A  79
PHE A 100
LEU A 134
LEU A 136
ALA A 137
LEU A 139
GLU A 270
OCS  A   2 ( 3.7A)
None
None
None
None
None
None
0.76A 5y7pG-5hkeA:
52.5
5y7pG-5hkeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
7 / 10 LEU A  18
ASN A  79
PHE A 100
LEU A 134
LEU A 136
ALA A 137
LEU A 139
OCS  A   2 ( 3.9A)
OCS  A   2 ( 3.7A)
None
None
None
None
None
1.35A 5y7pG-5hkeA:
52.5
5y7pG-5hkeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
8 / 10 LEU A  18
TYR A  24
ILE A  56
PHE A 100
LEU A 134
LEU A 136
ALA A 137
LEU A 139
OCS  A   2 ( 3.9A)
None
None
None
None
None
None
None
1.37A 5y7pG-5hkeA:
52.5
5y7pG-5hkeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7P_H_CHDH401_0
(BILE SALT HYDROLASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
7 / 10 LEU A  18
LEU A  63
ASN A  79
PHE A 100
LEU A 136
ALA A 137
LEU A 139
OCS  A   2 ( 3.9A)
None
OCS  A   2 ( 3.7A)
None
None
None
None
1.37A 5y7pH-5hkeA:
52.2
5y7pH-5hkeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7P_H_CHDH401_0
(BILE SALT HYDROLASE)
5hke BILE SALT HYDROLASE
(Lactobacillus
salivarius)
8 / 10 LEU A  18
TYR A  24
ILE A  56
LEU A  63
PHE A 100
LEU A 136
ALA A 137
LEU A 139
OCS  A   2 ( 3.9A)
None
None
None
None
None
None
None
1.44A 5y7pH-5hkeA:
52.2
5y7pH-5hkeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus)
7 / 12 PRO A  87
GLY A 111
SER A 130
LEU A 136
GLY A 138
GLY A 139
PRO A 142
OCS  A  86 ( 2.5A)
None
OCS  A  86 ( 3.8A)
None
None
None
None
0.74A 5zhmB-3ky7A:
10.9
5zhmB-3ky7A:
45.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus)
7 / 12 PRO A  87
SER A 130
VAL A 135
LEU A 136
GLY A 138
GLY A 139
PRO A 142
OCS  A  86 ( 2.5A)
OCS  A  86 ( 3.8A)
None
None
None
None
None
0.67A 5zhmB-3ky7A:
10.9
5zhmB-3ky7A:
45.76
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.
6B58_A_ACTA609_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)
1lme PEPTIDE DEFORMYLASE
(Thermotoga
maritima)
3 / 3 HIS A 133
HIS A 129
ARG A  99
OCS  A  87 ( 4.0A)
OCS  A  87 ( 3.9A)
None
1.13A 6b58A-1lmeA:
undetectable
6b58A-1lmeA:
15.57
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.
6C2M_C_SUEC1203_1
(NS3 PROTEASE)
1v3y PEPTIDE DEFORMYLASE
(Thermus
thermophilus)
5 / 9 VAL A 113
GLY A  98
LEU A 105
ARG A 158
ASP A 148
None
None
OCS  A 102 ( 4.4A)
None
None
1.45A 6c2mC-1v3yA:
undetectable
6c2mC-1v3yA:
17.11
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)
3rh0 ARSENATE REDUCTASE
(Corynebacterium
glutamicum)
3 / 3 SER A  34
SER A  15
ALA A  40
None
OCS  A   8 ( 2.6A)
None
0.66A 6dwnC-3rh0A:
undetectable
6dwnC-3rh0A:
20.42
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.
6E5Z_A_CCSA106_0
(PROTEIN/NUCLEIC ACID
DEGLYCASE DJ-1)
5txw PEPTIDASE
(Thermococcus
thioreducens)
5 / 10 GLU A  15
GLY A  69
GLY A  70
ILE A  99
PRO A 103
OCS  A 100 ( 2.4A)
OCS  A 100 ( 3.0A)
OCS  A 100 ( 3.7A)
OCS  A 100 ( 3.7A)
OCS  A 100 ( 4.3A)
0.41A 6e5zA-5txwA:
26.3
6e5zA-5txwA:
29.38
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.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)
5vrb TRANSKETOLASE
(Neisseria
gonorrhoeae)
5 / 12 ASN A  61
LEU A  59
GLY A  62
HIS A  63
PHE A  87
OCS  A 154 ( 4.3A)
None
None
CA  A 704 ( 4.9A)
None
1.26A 6exiA-5vrbA:
undetectable
6exiA-5vrbA:
9.04
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.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)
5vrb TRANSKETOLASE
(Neisseria
gonorrhoeae)
5 / 12 ASN A  61
LEU A  59
GLY A  62
HIS A  63
PHE A  87
OCS  A 154 ( 4.3A)
None
None
CA  A 704 ( 4.9A)
None
1.29A 6exiD-5vrbA:
undetectable
6exiD-5vrbA:
9.04
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima)
4 / 7 ASP A 140
GLN A  92
LYS A  89
TYR A  55
SO4  A 402 (-3.3A)
SO4  A 402 ( 3.9A)
OCS  A  88 ( 2.8A)
None
1.44A 6g31G-1o1yA:
undetectable
6g31G-1o1yA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6J20_A_GBQA1201_1
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)
4rpa PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Staphylococcus
aureus)
4 / 7 ILE A  91
GLU A  78
HIS A  76
VAL A  94
None
None
None
OCS  A 110 ( 4.6A)
1.09A 6j20A-4rpaA:
undetectable
6j20A-4rpaA:
19.82