SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ACO'


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.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		4 / 8 THR A  14
GLY A  18
ASP A  19
TYR A 123
 ACO  A 201 ( 4.6A)
DMS  A 208 (-3.5A)
None
DMS  A 208 (-4.1A)
 1.01A 1bu5B-3x1jA:
2.8		 1bu5B-3x1jA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C4D_A_DVAA8_0
(GRAMICIDIN A)		 2f6r BIFUNCTIONAL
COENZYME A SYNTHASE
(Mus
musculus) 		3 / 3 VAL A 152
TRP A 150
TRP A 184
 None
ACO  A 270 (-3.9A)
ACO  A 270 (-4.2A)
 1.09A 1c4dA-2f6rA:
undetectable
1c4dB-2f6rA:
undetectable		 1c4dA-2f6rA:
3.70
1c4dB-2f6rA:
3.70
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.
1D1G_A_MTXA171_1
(DIHYDROFOLATE
REDUCTASE)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 12 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.15A 1d1gA-4jwpA:
undetectable		 1d1gA-4jwpA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1G_B_MTXB171_1
(DIHYDROFOLATE
REDUCTASE)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 12 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.21A 1d1gB-4jwpA:
undetectable		 1d1gB-4jwpA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E3V_A_DXCA801_0
(STEROID
DELTA-ISOMERASE)		 2i79 ACETYLTRANSFERASE,
GNAT FAMILY
(Streptococcus
pneumoniae) 		5 / 12 PHE A 144
TYR A 139
GLY A 168
LEU A 121
ALA A 111
 None
ACO  A 402 (-4.7A)
None
None
None
 1.47A 1e3vA-2i79A:
undetectable		 1e3vA-2i79A:
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.
1E3V_B_DXCB801_0
(STEROID
DELTA-ISOMERASE)		 2i79 ACETYLTRANSFERASE,
GNAT FAMILY
(Streptococcus
pneumoniae) 		5 / 11 PHE A 144
TYR A 139
GLY A 168
LEU A 121
ALA A 111
 None
ACO  A 402 (-4.7A)
None
None
None
 1.47A 1e3vB-2i79A:
0.3		 1e3vB-2i79A:
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.
1ERR_B_RALB600_2
(ESTROGEN RECEPTOR)		 5fvj PUTATIVE
ACETYLTRANSFERASE
(Salmonella
enterica) 		4 / 6 LEU A  26
ASP A  28
LEU A 107
HIS A  99
 ACO  A1161 (-4.9A)
None
None
ACO  A1161 (-4.1A)
 1.13A 1errB-5fvjA:
undetectable		 1errB-5fvjA:
20.87
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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		 4zbg ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 12 PHE A 124
PHE A  22
GLY A  79
ALA A  62
GLY A 100
 None
ACO  A 201 (-3.5A)
ACO  A 201 (-3.6A)
None
None
 1.06A 1fe2A-4zbgA:
undetectable		 1fe2A-4zbgA:
13.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTI_C_CCSC47_0
(GLUTATHIONE
S-TRANSFERASE)		 5kf2 PREDICTED
ACETYLTRANSFERASE
(Clostridium
acetobutylicum) 		4 / 6 TRP A 288
THR A 118
GLY A 115
TYR A  77
 None
None
ACO  A 402 ( 4.7A)
None
 1.30A 1gtiC-5kf2A:
undetectable		 1gtiC-5kf2A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		 2c27 MYCOTHIOL SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 11 ALA A 124
LEU A 125
ARG A  97
LEU A  80
ALA A  94
 ACO  A1313 ( 3.8A)
None
None
ACO  A1313 (-4.2A)
None
 1.02A 1h9zA-2c27A:
undetectable		 1h9zA-2c27A:
20.82
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.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		 2c27 MYCOTHIOL SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 11 ALA A 124
LEU A 125
ARG A  97
LEU A  80
ALA A  94
 ACO  A1313 ( 3.8A)
None
None
ACO  A1313 (-4.2A)
None
 1.04A 1ha2A-2c27A:
undetectable		 1ha2A-2c27A:
20.82
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.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 3r95 MCCE PROTEIN
(Escherichia
coli) 		5 / 11 PHE A 137
ILE A 121
ASN A 119
GLY A 156
PHE A 157
 None
None
ACO  A 601 ( 4.4A)
None
None
 1.27A 1hvyC-3r95A:
undetectable		 1hvyC-3r95A:
22.18
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 10 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.10A 1j3jA-4jwpA:
undetectable		 1j3jA-4jwpA:
18.25
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.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2fxf DIAMINE
ACETYLTRANSFERASE 1
(Homo
sapiens) 		5 / 9 ALA A   9
ASP A  13
ILE A 105
ILE A   6
THR A  10
 None
None
ACO  A1000 (-4.2A)
None
None
 1.38A 1j3jB-2fxfA:
undetectable		 1j3jB-2fxfA:
19.51
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.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 9 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.16A 1j3jB-4jwpA:
undetectable		 1j3jB-4jwpA:
18.25
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.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 3dr8 YNCA
(Salmonella
enterica) 		5 / 10 SER A 122
ASN A 124
ILE A 120
GLY A 119
GLY A 146
 None
ACO  A1423 (-3.3A)
ACO  A1423 ( 4.3A)
ACT  A1428 (-3.4A)
None
 1.17A 1mehA-3dr8A:
undetectable		 1mehA-3dr8A:
16.81
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.
1MX1_B_THAB2_1
(LIVER
CARBOXYLESTERASE I)		 6g96 ACETYLTRANSFERASE
(Salmonella
enterica) 		5 / 11 VAL B  64
LEU B 111
LEU B  92
LEU B 169
LEU B 112
 None
None
ACO  B 201 (-4.8A)
None
None
 1.17A 1mx1B-6g96B:
undetectable		 1mx1B-6g96B:
9.35
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.
1NHZ_A_486A800_1
(GLUCOCORTICOID
RECEPTOR)		 4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE
(Rhizomucor
miehei) 		5 / 12 ASN A 573
GLY A 575
MET A 614
LEU A 615
MET A 617
 None
None
None
ACO  A 901 (-4.6A)
None
 1.29A 1nhzA-4zm6A:
undetectable		 1nhzA-4zm6A:
16.71
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.
1P93_B_DEXB2999_1
(GLUCOCORTICOID
RECEPTOR)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 12 GLY A 137
LEU A 164
ARG A 111
CYH A 141
ILE A 122
 None
None
None
None
ACO  A 201 (-4.0A)
 1.44A 1p93B-4jwpA:
undetectable		 1p93B-4jwpA:
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.
1PBF_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)		 2f6r BIFUNCTIONAL
COENZYME A SYNTHASE
(Mus
musculus) 		5 / 9 VAL A 149
LEU A 145
LEU A 131
ARG A 128
ALA A 107
 None
ACO  A 270 ( 4.6A)
ACO  A 270 ( 4.3A)
ACO  A 270 (-4.3A)
None
 1.43A 1pbfA-2f6rA:
0.0		 1pbfA-2f6rA:
20.38
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.
1Q23_B_FUAB703_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3zj0 ACETYLTRANSFERASE
(Oceanicola
granulosus) 		3 / 3 VAL A  48
ALA A  47
HIS A 135
 None
None
ACO  A1205 (-3.1A)
 0.77A 1q23C-3zj0A:
undetectable		 1q23C-3zj0A:
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.
1Q23_K_FUAK712_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3zj0 ACETYLTRANSFERASE
(Oceanicola
granulosus) 		3 / 3 VAL A  48
ALA A  47
HIS A 135
 None
None
ACO  A1205 (-3.1A)
 0.75A 1q23L-3zj0A:
undetectable		 1q23L-3zj0A:
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.
1RB3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 10 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.24A 1rb3A-4jwpA:
undetectable		 1rb3A-4jwpA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RMT_A_ADNA1501_1
(CLASS B ACID
PHOSPHATASE)		 1wwz HYPOTHETICAL PROTEIN
PH1933
(Pyrococcus
horikoshii) 		5 / 10 PHE A 139
LEU A 111
GLY A 103
ARG A 104
TYR A 136
 None
None
ACO  A1001 (-3.4A)
ACO  A1001 (-4.2A)
None
 1.02A 1rmtA-1wwzA:
0.3		 1rmtA-1wwzA:
22.12
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.
1S9P_C_DESC500_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 2y0m PROBABLE HISTONE
ACETYLTRANSFERASE
MYST1
(Homo
sapiens) 		5 / 12 LEU A 263
CYH A 264
LEU A 266
ALA A 267
LEU A 318
 None
ALY  A 274 ( 3.4A)
None
ALY  A 274 ( 4.0A)
ACO  A1450 (-4.2A)
 0.81A 1s9pC-2y0mA:
undetectable		 1s9pC-2y0mA:
22.87
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.
1SN5_D_T3D602_1
(TRANSTHYRETIN)		 3sma FRBF
(Streptomyces
rubellomurinus) 		5 / 12 ALA A  46
LEU A  48
VAL A  44
LEU A  65
VAL A  22
 None
ACO  A 300 (-4.0A)
None
None
None
 1.05A 1sn5B-3smaA:
undetectable
1sn5D-3smaA:
undetectable		 1sn5B-3smaA:
18.25
1sn5D-3smaA:
18.25
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.
1SN5_D_T3D602_1
(TRANSTHYRETIN)		 3sma FRBF
(Streptomyces
rubellomurinus) 		5 / 12 LEU A  65
VAL A  22
ALA A  46
LEU A  48
VAL A  44
 None
None
None
ACO  A 300 (-4.0A)
None
 1.05A 1sn5B-3smaA:
undetectable
1sn5D-3smaA:
undetectable		 1sn5B-3smaA:
18.25
1sn5D-3smaA:
18.25
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.
1WG8_B_SAMB3141_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 3oyz MALATE SYNTHASE
(Haloferax
volcanii) 		5 / 12 THR A  19
GLY A 362
ASP A  60
ASP A  49
HIS A 101
 None
None
None
ACO  A 434 (-4.7A)
CL  A 704 (-4.0A)
 1.18A 1wg8B-3oyzA:
undetectable		 1wg8B-3oyzA:
25.98
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.
1XDK_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 6g96 ACETYLTRANSFERASE
(Salmonella
enterica) 		5 / 12 TRP B 142
LEU B 169
ALA B 168
VAL B  64
LEU B  95
 ACO  B 201 ( 3.9A)
None
None
None
ACO  B 201 (-4.6A)
 1.04A 1xdkA-6g96B:
undetectable		 1xdkA-6g96B:
16.26
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.
1XDK_E_9CRE1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 6g96 ACETYLTRANSFERASE
(Salmonella
enterica) 		5 / 12 TRP B 142
LEU B 169
ALA B 168
VAL B  64
LEU B  95
 ACO  B 201 ( 3.9A)
None
None
None
ACO  B 201 (-4.6A)
 1.04A 1xdkE-6g96B:
undetectable		 1xdkE-6g96B:
16.26
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.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		 2c27 MYCOTHIOL SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 127
THR A 121
LEU A  65
LEU A  80
GLY A  92
 None
ACO  A1313 (-3.6A)
None
ACO  A1313 (-4.2A)
ACO  A1313 (-3.4A)
 1.06A 1xwfA-2c27A:
undetectable		 1xwfA-2c27A:
22.87
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.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 2c27 MYCOTHIOL SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 127
THR A 121
LEU A  65
LEU A  80
GLY A  92
 None
ACO  A1313 (-3.6A)
None
ACO  A1313 (-4.2A)
ACO  A1313 (-3.4A)
 1.04A 1xwfB-2c27A:
undetectable		 1xwfB-2c27A:
22.87
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.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 2c27 MYCOTHIOL SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 127
THR A 121
LEU A  65
LEU A  80
GLY A  92
 None
ACO  A1313 (-3.6A)
None
ACO  A1313 (-4.2A)
ACO  A1313 (-3.4A)
 1.07A 1xwfC-2c27A:
undetectable		 1xwfC-2c27A:
22.87
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.
1XWF_D_ADND433_1
(ADENOSYLHOMOCYSTEINA
SE)		 2c27 MYCOTHIOL SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 127
THR A 121
LEU A  65
LEU A  80
GLY A  92
 None
ACO  A1313 (-3.6A)
None
ACO  A1313 (-4.2A)
ACO  A1313 (-3.4A)
 1.05A 1xwfD-2c27A:
undetectable		 1xwfD-2c27A:
22.87
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.
1Z95_A_198A501_2
(ANDROGEN RECEPTOR)		 2ozu HISTONE
ACETYLTRANSFERASE
MYST3
(Homo
sapiens) 		4 / 6 LEU A 614
LEU A 662
LEU A 669
ILE A 647
 None
None
None
ACO  A 850 (-4.6A)
 1.02A 1z95A-2ozuA:
undetectable		 1z95A-2ozuA:
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.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 12 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.15A 2bl9A-4jwpA:
undetectable		 2bl9A-4jwpA:
19.75
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.
2HJH_A_NCAA900_0
(NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2)		 5kf2 PREDICTED
ACETYLTRANSFERASE
(Clostridium
acetobutylicum) 		4 / 5 ILE A  81
PHE A 122
PHE A 121
ILE A  20
 ACO  A 402 (-4.5A)
None
None
None
 1.16A 2hjhA-5kf2A:
undetectable		 2hjhA-5kf2A:
22.70
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.
2HS2_B_017B203_1
(PROTEASE)		 2r98 PUTATIVE
ACETYLGLUTAMATE
SYNTHASE
(Neisseria
gonorrhoeae) 		4 / 6 TRP A 398
LEU A 388
ARG A 402
GLY A 403
 ACO  A   1 (-3.9A)
None
ACO  A   1 ( 4.0A)
None
 1.24A 2hs2B-2r98A:
undetectable		 2hs2B-2r98A:
13.06
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.
2J7X_A_ESTA1454_1
(ESTROGEN RECEPTOR
BETA)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		5 / 12 LEU A   5
ILE A  13
GLY A  18
HIS A  17
LEU A  20
 None
None
DMS  A 208 (-3.5A)
ACO  A 201 (-4.1A)
None
 1.18A 2j7xA-3x1jA:
undetectable		 2j7xA-3x1jA:
23.72
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.
2QD3_B_CHDB504_0
(FERROCHELATASE)		 4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE
(Rhizomucor
miehei) 		4 / 6 MET A 617
ILE A 572
PRO A 661
SER A 667
 None
None
None
ACO  A 901 (-3.8A)
 1.30A 2qd3B-4zm6A:
4.7		 2qd3B-4zm6A:
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.
2QD4_B_CHDB926_0
(FERROCHELATASE)		 4zbg ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 10 LEU A  78
ILE A  97
ARG A  98
ARG A 123
GLY A 119
 ACO  A 201 (-4.7A)
None
None
ACO  A 201 (-3.0A)
None
 1.50A 2qd4B-4zbgA:
undetectable		 2qd4B-4zbgA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QWX_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 5yge AMINO-ACID
ACETYLTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 7 GLY A  66
GLY A  91
PHE A 121
PHE A 122
 None
ACO  A 201 (-3.2A)
ACO  A 201 ( 4.4A)
ACO  A 201 (-4.6A)
 0.88A 2qwxA-5ygeA:
undetectable
2qwxB-5ygeA:
undetectable		 2qwxA-5ygeA:
20.37
2qwxB-5ygeA:
20.37
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.
2RLF_A_RIMA199_1
(MATRIX PROTEIN 2)		 4u9v N-ALPHA-ACETYLTRANSF
ERASE 40
(Homo
sapiens) 		4 / 6 LEU B 173
LEU B 214
ILE B 156
ARG B 216
 ACO  B 301 ( 4.2A)
None
None
None
 1.01A 2rlfA-4u9vB:
undetectable
2rlfB-4u9vB:
undetectable		 2rlfA-4u9vB:
10.71
2rlfB-4u9vB:
10.71
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.
2RLF_C_RIMC399_1
(MATRIX PROTEIN 2)		 4u9v N-ALPHA-ACETYLTRANSF
ERASE 40
(Homo
sapiens) 		4 / 6 LEU B 173
LEU B 214
ILE B 156
ARG B 216
 ACO  B 301 ( 4.2A)
None
None
None
 0.90A 2rlfC-4u9vB:
undetectable
2rlfD-4u9vB:
undetectable		 2rlfC-4u9vB:
10.71
2rlfD-4u9vB:
10.71
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		 5hgz N-ALPHA-ACETYLTRANSF
ERASE 60
(Homo
sapiens) 		5 / 12 PHE A 175
TYR A 177
ASP A  81
ASN A 148
ALA A 146
 None
None
None
None
ACO  A 301 (-3.6A)
 1.25A 2vdmA-5hgzA:
undetectable
2vdmB-5hgzA:
undetectable		 2vdmA-5hgzA:
19.31
2vdmB-5hgzA:
17.38
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.
2VH3_A_DAHA2_1
(RANASMURFIN)		 1dm3 BIOSYNTHETIC
THIOLASE ACETYLATED
AT CYS89
(Zoogloea
ramigera) 		5 / 9 ALA A 246
ALA A 320
GLY A 289
SER A 247
ALA A 318
 ACO  A 813 ( 4.1A)
None
None
ACO  A 813 (-3.7A)
ACO  A 813 (-3.0A)
 1.45A 2vh3A-1dm3A:
0.0		 2vh3A-1dm3A:
14.29
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 2ozu HISTONE
ACETYLTRANSFERASE
MYST3
(Homo
sapiens) 		3 / 3 ARG A 660
GLY A 659
SER A 684
 None
ACO  A 850 (-3.4A)
ACO  A 850 (-2.8A)
 0.59A 2xctB-2ozuA:
undetectable		 2xctB-2ozuA:
17.10
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.
2XRZ_B_ACTB1463_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		 2i7n PANTOTHENATE KINASE
1
(Homo
sapiens) 		5 / 7 VAL A 419
ALA A 530
VAL A 413
GLY A 435
THR A 436
 None
None
None
ACO  A 796 ( 4.2A)
None
 1.19A 2xrzB-2i7nA:
1.9		 2xrzB-2i7nA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XRZ_B_ACTB1463_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		 2i7n PANTOTHENATE KINASE
1
(Homo
sapiens) 		5 / 7 VAL A 419
ILE A 526
ALA A 530
GLY A 435
THR A 436
 None
None
None
ACO  A 796 ( 4.2A)
None
 1.11A 2xrzB-2i7nA:
1.9		 2xrzB-2i7nA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XRZ_B_ACTB1463_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		 2i7p PANTOTHENATE KINASE
3
(Homo
sapiens) 		5 / 7 VAL A 194
ALA A 305
VAL A 188
GLY A 210
THR A 211
 None
None
None
ACO  A1604 ( 3.9A)
None
 1.18A 2xrzB-2i7pA:
undetectable		 2xrzB-2i7pA:
22.38
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.
2XRZ_B_ACTB1463_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		 2i7p PANTOTHENATE KINASE
3
(Homo
sapiens) 		5 / 7 VAL A 194
ILE A 301
ALA A 305
GLY A 210
THR A 211
 None
None
None
ACO  A1604 ( 3.9A)
None
 1.09A 2xrzB-2i7pA:
undetectable		 2xrzB-2i7pA:
22.38
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.
3AOB_C_RFPC2002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 6axe MALATE SYNTHASE G
(Mycobacterium
marinum) 		5 / 12 PHE A 126
ALA A 127
ASN A 290
GLY A 293
LEU A 286
 ACO  A 801 (-3.6A)
None
None
None
None
 1.23A 3aobC-6axeA:
undetectable		 3aobC-6axeA:
23.06
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.
3AOD_A_MIYA2001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 2fxf DIAMINE
ACETYLTRANSFERASE 1
(Homo
sapiens) 		4 / 8 SER A 136
GLY A  73
ILE A 105
PHE A 103
 ACO  A1000 (-2.6A)
None
ACO  A1000 (-4.2A)
None
 0.95A 3aodA-2fxfA:
undetectable		 3aodA-2fxfA:
10.37
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.
3AOD_C_RFPC2002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 6axe MALATE SYNTHASE G
(Mycobacterium
marinum) 		5 / 12 PHE A 126
ALA A 127
ASN A 290
GLY A 293
LEU A 286
 ACO  A 801 (-3.6A)
None
None
None
None
 1.39A 3aodC-6axeA:
undetectable		 3aodC-6axeA:
23.06
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.
3BXO_B_SAMB238_0
(N,N-DIMETHYLTRANSFER
ASE)		 4kvx N-TERMINAL
ACETYLTRANSFERASE A
COMPLEX CATALYTIC
SUBUNIT ARD1
(Schizosaccharomy
ces
pombe) 		5 / 12 ALA A  58
GLY A  71
LEU A 110
SER A 109
SER A  95
 None
None
ACO  A 201 ( 3.8A)
None
None
 1.32A 3bxoB-4kvxA:
2.3		 3bxoB-4kvxA:
20.44
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.
3CLB_A_TMQA611_1
(DHFR-TS)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 11 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.08A 3clbA-4jwpA:
undetectable		 3clbA-4jwpA:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_D_TMQD614_1
(DHFR-TS)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 10 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.06A 3clbD-4jwpA:
undetectable		 3clbD-4jwpA:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		 4u9v N-ALPHA-ACETYLTRANSF
ERASE 40
(Homo
sapiens) 		3 / 3 CYH B 137
HIS B 123
PHE B 124
 ACO  B 301 ( 4.3A)
None
None
 1.14A 3cr4X-4u9vB:
undetectable		 3cr4X-4u9vB:
20.11
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.
3DCJ_B_THHB401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		 3q33 HISTONE
ACETYLTRANSFERASE
RTT109
(Saccharomyces
cerevisiae) 		4 / 8 ILE A 111
LEU A  65
THR A 187
VAL A  85
 None
None
None
ACO  A 501 (-4.9A)
 0.79A 3dcjB-3q33A:
undetectable		 3dcjB-3q33A:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EBZ_B_017B201_2
(PROTEASE)		 2zpa UNCHARACTERIZED
PROTEIN YPFI
(Escherichia
coli) 		5 / 11 GLY A 375
ALA A 376
ILE A 461
GLY A 407
ILE A 405
 None
ACO  A 700 ( 4.5A)
ACO  A 700 (-4.1A)
None
None
 1.06A 3ebzB-2zpaA:
undetectable		 3ebzB-2zpaA:
9.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F33_A_PFLA2001_1
(FERRITIN LIGHT CHAIN)		 3exn PROBABLE
ACETYLTRANSFERASE
(Thermus
thermophilus) 		4 / 6 LEU A  92
TYR A  73
LEU A  63
ARG A  94
 ACO  A1001 (-4.3A)
None
None
None
 0.93A 3f33A-3exnA:
undetectable		 3f33A-3exnA:
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.
3F33_A_PFLA2001_1
(FERRITIN LIGHT CHAIN)		 3exn PROBABLE
ACETYLTRANSFERASE
(Thermus
thermophilus) 		4 / 6 LEU A  92
TYR A  73
LEU A  63
LEU A  90
 ACO  A1001 (-4.3A)
None
None
ACO  A1001 (-4.7A)
 1.01A 3f33A-3exnA:
undetectable		 3f33A-3exnA:
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.
3FPJ_B_SAMB301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 4zbg ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 12 ILE A  14
VAL A  50
ILE A  61
ILE A  92
VAL A  36
 None
None
None
ACO  A 201 (-4.3A)
None
 1.24A 3fpjB-4zbgA:
undetectable		 3fpjB-4zbgA:
19.46
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.
3G2O_A_SAMA500_1
(PCZA361.24)		 6axe MALATE SYNTHASE G
(Mycobacterium
marinum) 		3 / 3 ARG A 339
GLU A 364
ASP A 280
 ACO  A 801 (-3.3A)
None
None
 0.90A 3g2oA-6axeA:
undetectable		 3g2oA-6axeA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 10 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.06A 3hbbD-4jwpA:
undetectable		 3hbbD-4jwpA:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KK6_A_CELA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2wpw ORF14
(Streptomyces
clavuligerus) 		4 / 6 HIS A 108
VAL A  92
LEU A  50
LEU A  27
 None
ACO  A 401 (-3.9A)
None
None
 0.94A 3kk6A-2wpwA:
undetectable		 3kk6A-2wpwA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 2i7p PANTOTHENATE KINASE
3
(Homo
sapiens) 		4 / 8 ASN A 322
LEU A 235
SER A 330
ASN A 189
 ACO  A1604 (-4.2A)
None
None
ACO  A1604 ( 4.9A)
 1.16A 3kp2A-2i7pA:
undetectable
3kp2B-2i7pA:
undetectable		 3kp2A-2i7pA:
17.24
3kp2B-2i7pA:
17.24
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.
3KZ7_A_RAPA225_1
(FK506-BINDING
PROTEIN 3)		 2i79 ACETYLTRANSFERASE,
GNAT FAMILY
(Streptococcus
pneumoniae) 		5 / 10 TYR A 139
LEU A 138
ILE A 112
ILE A  76
PHE A 144
 ACO  A 402 (-4.7A)
ACO  A 402 ( 4.5A)
None
None
None
 1.08A 3kz7A-2i79A:
undetectable		 3kz7A-2i79A:
20.96
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.
3N9J_B_EAAB214_1
(GLUTATHIONE
S-TRANSFERASE P)		 2r98 PUTATIVE
ACETYLGLUTAMATE
SYNTHASE
(Neisseria
gonorrhoeae) 		4 / 8 VAL A 359
GLY A 339
ILE A 289
GLY A 369
 ACO  A   1 (-4.2A)
None
None
ACO  A   1 (-3.2A)
 0.75A 3n9jB-2r98A:
undetectable		 3n9jB-2r98A:
19.11
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.
3O01_B_DXCB1_0
(CELL INVASION
PROTEIN SIPD)		 5t53 N-ACETYLTRANSFERASE
ESCO1
(Homo
sapiens) 		5 / 9 ARG A 786
ILE A 667
ALA A 784
LEU A 709
VAL A 774
 None
None
ACO  A 901 (-3.3A)
None
ACO  A 901 (-3.4A)
 1.49A 3o01A-5t53A:
1.5
3o01B-5t53A:
undetectable		 3o01A-5t53A:
20.25
3o01B-5t53A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OKX_A_SAMA201_0
(YAEB-LIKE PROTEIN
RPA0152)		 3sma FRBF
(Streptomyces
rubellomurinus) 		5 / 12 LEU A 181
ARG A 250
THR A 190
SER A 191
LEU A 242
 None
None
ACO  A 300 (-3.7A)
None
None
 1.34A 3okxA-3smaA:
undetectable		 3okxA-3smaA:
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.
3OKX_B_SAMB201_1
(YAEB-LIKE PROTEIN
RPA0152)		 3sma FRBF
(Streptomyces
rubellomurinus) 		5 / 12 LEU A 181
ARG A 250
THR A 190
SER A 191
LEU A 242
 None
None
ACO  A 300 (-3.7A)
None
None
 1.29A 3okxB-3smaA:
undetectable		 3okxB-3smaA:
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.
3OYA_A_RLTA398_1
(PFV INTEGRASE)		 4zbg ACETYLTRANSFERASE
(Brucella
abortus) 		4 / 8 GLN A  88
PRO A  85
GLN A  56
GLU A  53
 ACO  A 201 (-3.6A)
None
None
None
 0.93A 3oyaA-4zbgA:
undetectable		 3oyaA-4zbgA:
17.97
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.
3PS9_A_SAMA670_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		 3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Enterococcus
faecalis) 		5 / 12 GLY A 165
ILE A 288
GLY A 163
PHE A 147
ASN A 280
 None
None
None
None
ACO  A 401 (-3.1A)
 1.22A 3ps9A-3il4A:
undetectable		 3ps9A-3il4A:
18.07
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.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5t7d PHOSPHINOTHRICIN
N-ACETYLTRANSFERASE
(Streptomyces
hygroscopicus) 		6 / 12 ALA A  13
ILE A  71
ASP A  17
LEU A 102
ILE A  10
THR A  14
 None
None
None
ACO  A 800 (-4.9A)
None
None
 1.24A 3qfxA-5t7dA:
undetectable		 3qfxA-5t7dA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5t7d PHOSPHINOTHRICIN
N-ACETYLTRANSFERASE
(Streptomyces
hygroscopicus) 		6 / 12 ALA A  13
ILE A  71
ASP A  17
LEU A 102
ILE A  10
THR A  14
 None
None
None
ACO  A 800 (-4.9A)
None
None
 1.24A 3qfxB-5t7dA:
undetectable		 3qfxB-5t7dA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 10 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.13A 3qgtA-4jwpA:
undetectable		 3qgtA-4jwpA:
13.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 10 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.17A 3qgtB-4jwpA:
undetectable		 3qgtB-4jwpA:
13.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		 4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE
(Rhizomucor
miehei) 		4 / 8 ARG A 520
LEU A 631
ASP A 633
SER A 107
 ACO  A 901 (-3.5A)
None
None
None
 1.00A 3qj7A-4zm6A:
undetectable
3qj7D-4zm6A:
undetectable		 3qj7A-4zm6A:
14.67
3qj7D-4zm6A:
14.67
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.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 12 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.25A 3ql3A-4jwpA:
undetectable		 3ql3A-4jwpA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQW_I_ACHI323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		4 / 8 PHE A  85
ILE A  32
LEU A  73
PHE A  69
 None
None
ACO  A 201 (-3.9A)
DMS  A 207 (-4.2A)
 1.05A 3rqwI-3x1jA:
undetectable
3rqwJ-3x1jA:
undetectable		 3rqwI-3x1jA:
21.38
3rqwJ-3x1jA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RV5_C_DXCC92_0
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 4yrh ALPHA-TUBULIN
N-ACETYLTRANSFERASE
1
(Danio
rerio) 		4 / 4 VAL A  17
PHE A 136
PHE A 134
VAL A 115
 None
None
None
ACO  A 201 (-4.5A)
 1.15A 3rv5C-4yrhA:
undetectable
3rv5D-4yrhA:
undetectable		 3rv5C-4yrhA:
21.52
3rv5D-4yrhA:
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.
3RV5_C_DXCC92_0
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 4yrh ALPHA-TUBULIN
N-ACETYLTRANSFERASE
1
(Danio
rerio) 		4 / 4 VAL A 115
PHE A 134
PHE A 136
VAL A  17
 ACO  A 201 (-4.5A)
None
None
None
 1.46A 3rv5C-4yrhA:
undetectable
3rv5D-4yrhA:
undetectable		 3rv5C-4yrhA:
21.52
3rv5D-4yrhA:
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.
3RV5_D_DXCD92_0
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 2q4v DIAMINE
ACETYLTRANSFERASE 2
(Homo
sapiens) 		4 / 5 VAL A  96
GLU A   8
LYS A 112
LYS A 108
 ACO  A 306 (-3.9A)
None
None
None
 1.38A 3rv5C-2q4vA:
0.0
3rv5D-2q4vA:
0.0		 3rv5C-2q4vA:
18.34
3rv5D-2q4vA:
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.
3TM4_A_SAMA401_0
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 2d3t 3-KETOACYL-COA
THIOLASE
(Pseudomonas
fragi) 		5 / 12 ALA C 277
GLY C 381
ALA C 314
PRO C 288
LEU C 311
 None
None
ACO  C1003 (-3.4A)
None
None
 1.33A 3tm4A-2d3tC:
undetectable		 3tm4A-2d3tC:
23.04
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.
3TM4_B_SAMB401_0
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 2d3t 3-KETOACYL-COA
THIOLASE
(Pseudomonas
fragi) 		5 / 12 ALA C 277
GLY C 381
ALA C 314
PRO C 288
LEU C 311
 None
None
ACO  C1003 (-3.4A)
None
None
 1.30A 3tm4B-2d3tC:
undetectable		 3tm4B-2d3tC:
23.04
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.
3TQ8_A_TOPA2001_1
(DIHYDROFOLATE
REDUCTASE)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 9 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.17A 3tq8A-4jwpA:
undetectable		 3tq8A-4jwpA:
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.
3ZOS_B_0LIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2i79 ACETYLTRANSFERASE,
GNAT FAMILY
(Streptococcus
pneumoniae) 		5 / 9 LEU A  41
ILE A  92
LEU A  90
ILE A  76
ILE A  60
 None
ACO  A 402 (-4.7A)
None
None
None
 1.00A 3zosB-2i79A:
undetectable		 3zosB-2i79A:
21.10
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 2i79 ACETYLTRANSFERASE,
GNAT FAMILY
(Streptococcus
pneumoniae) 		5 / 11 LEU A 107
LEU A  66
ILE A  70
ILE A  94
TYR A  98
 None
None
None
ACO  A 402 (-4.1A)
None
 1.33A 4a7aA-2i79A:
undetectable		 4a7aA-2i79A:
16.10
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 2i79 ACETYLTRANSFERASE,
GNAT FAMILY
(Streptococcus
pneumoniae) 		6 / 12 LEU A 107
LEU A 103
LEU A  66
ILE A  70
ILE A  94
TYR A  98
 None
ACO  A 402 (-4.9A)
None
None
ACO  A 402 (-4.1A)
None
 1.49A 4a7aB-2i79A:
undetectable		 4a7aB-2i79A:
16.10
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.
4B7Q_C_ZMRC601_2
(NEURAMINIDASE)		 3q33 HISTONE
ACETYLTRANSFERASE
RTT109
(Saccharomyces
cerevisiae) 		3 / 3 ARG A 228
ARG A 101
ILE A 231
 None
ACO  A 501 (-3.4A)
None
 0.84A 4b7qC-3q33A:
undetectable		 4b7qC-3q33A:
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		 1wwz HYPOTHETICAL PROTEIN
PH1933
(Pyrococcus
horikoshii) 		5 / 12 LEU A 107
ILE A 121
GLU A  90
CYH A  49
GLY A  56
 None
None
ACO  A1001 (-3.9A)
None
None
 1.28A 4hfpB-1wwzA:
undetectable		 4hfpB-1wwzA:
21.32
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.
4IJI_H_BEZH501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		 3r95 MCCE PROTEIN
(Escherichia
coli) 		4 / 7 ALA A 150
SER A 148
VAL A 117
ARG A 154
 None
ACO  A 601 (-3.2A)
ACO  A 601 (-3.8A)
ACO  A 601 (-3.5A)
 1.00A 4ijiH-3r95A:
undetectable		 4ijiH-3r95A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IJI_H_BEZH501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		4 / 7 ASN A 126
ALA A 128
SER A 129
VAL A  87
 ACO  A 201 (-3.4A)
ACO  A 201 (-3.4A)
ACO  A 201 (-3.2A)
ACO  A 201 (-4.2A)
 1.06A 4ijiH-4jwpA:
undetectable		 4ijiH-4jwpA:
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.
4J26_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		5 / 12 LEU A   5
ILE A  13
GLY A  18
HIS A  17
LEU A  20
 None
None
DMS  A 208 (-3.5A)
ACO  A 201 (-4.1A)
None
 1.29A 4j26A-3x1jA:
undetectable		 4j26A-3x1jA:
24.07
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.
4KOW_A_CFXA204_1
(UNCHARACTERIZED
PROTEIN)		 2ge3 PROBABLE
ACETYLTRANSFERASE
(Agrobacterium
tumefaciens) 		5 / 12 ARG A  76
GLY A  90
MET A  91
SER A 125
TYR A 137
 None
None
ACO  A1301 (-3.9A)
None
None
 1.45A 4kowA-2ge3A:
17.4		 4kowA-2ge3A:
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.
4KYK_B_IMNB300_1
(LACTOYLGLUTATHIONE
LYASE)		 3sma FRBF
(Streptomyces
rubellomurinus) 		5 / 12 PHE A 143
ALA A 144
LEU A 169
GLY A 121
MET A 120
 None
None
None
ACO  A 300 (-3.4A)
ACO  A 300 (-4.1A)
 0.99A 4kykA-3smaA:
undetectable
4kykB-3smaA:
undetectable		 4kykA-3smaA:
19.93
4kykB-3smaA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M83_B_ERYB501_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		 3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Enterococcus
faecalis) 		5 / 11 TRP A 153
ILE A  45
ASN A  25
ALA A 252
SER A 253
 None
None
None
ACO  A 401 (-3.5A)
None
 1.49A 4m83B-3il4A:
undetectable		 4m83B-3il4A:
23.73
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.
4MWZ_B_CQAB303_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 2q4v DIAMINE
ACETYLTRANSFERASE 2
(Homo
sapiens) 		4 / 8 GLY A 106
GLY A  73
GLU A  23
LEU A  20
 ACO  A 306 (-3.2A)
None
None
None
 0.79A 4mwzB-2q4vA:
undetectable		 4mwzB-2q4vA:
20.59
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.
4NKV_C_AERC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 5ib0 UNCHARACTERIZED
PROTEIN PA4534
(Pseudomonas
aeruginosa) 		4 / 6 LEU A  70
ASP A  90
VAL A  75
ALA A  57
 None
None
ACO  A 201 (-4.3A)
None
 1.18A 4nkvC-5ib0A:
undetectable		 4nkvC-5ib0A:
13.77
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.
4OAD_A_CLMA205_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 4kvx N-TERMINAL
ACETYLTRANSFERASE A
COMPLEX CATALYTIC
SUBUNIT ARD1
(Schizosaccharomy
ces
pombe) 		5 / 12 ARG A  83
ASN A 116
ALA A 118
LEU A 122
TYR A 123
 ACO  A 201 (-3.7A)
ACO  A 201 (-3.1A)
ACO  A 201 (-3.4A)
ACO  A 201 (-3.7A)
None
 0.73A 4oadA-4kvxA:
16.8		 4oadA-4kvxA:
22.42
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.
4OAE_A_CLMA207_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 4kvx N-TERMINAL
ACETYLTRANSFERASE A
COMPLEX CATALYTIC
SUBUNIT ARD1
(Schizosaccharomy
ces
pombe) 		5 / 12 ARG A  83
ALA A  88
ASN A 116
ALA A 118
LEU A 122
 ACO  A 201 (-3.7A)
ACO  A 201 (-3.3A)
ACO  A 201 (-3.1A)
ACO  A 201 (-3.4A)
ACO  A 201 (-3.7A)
 0.84A 4oaeA-4kvxA:
16.7		 4oaeA-4kvxA:
22.42
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.
4OLM_A_198A1001_1
(ANDROGEN RECEPTOR)		 2ge3 PROBABLE
ACETYLTRANSFERASE
(Agrobacterium
tumefaciens) 		5 / 12 LEU A 124
LEU A  89
GLY A  90
LEU A  35
HIS A 127
 None
None
None
ACO  A1301 (-4.8A)
None
 1.30A 4olmA-2ge3A:
undetectable		 4olmA-2ge3A:
19.69
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.
4PUO_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		 1wwz HYPOTHETICAL PROTEIN
PH1933
(Pyrococcus
horikoshii) 		4 / 8 LEU A  20
VAL A  71
VAL A  92
LEU A   9
 None
None
ACO  A1001 (-3.5A)
None
 1.04A 4puoC-1wwzA:
undetectable		 4puoC-1wwzA:
16.04
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.
4PXM_B_ESTB2000_1
(ESTROGEN RECEPTOR)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		5 / 11 LEU A   5
ILE A  13
GLY A  18
HIS A  17
LEU A  20
 None
None
DMS  A 208 (-3.5A)
ACO  A 201 (-4.1A)
None
 1.10A 4pxmB-3x1jA:
undetectable		 4pxmB-3x1jA:
21.40
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.
4W5O_A_IPHA906_0
(PROTEIN ARGONAUTE-2)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		4 / 5 PHE A  76
PRO A   7
ALA A  36
PHE A  10
 PO4  A 202 (-4.3A)
ACO  A 201 (-4.5A)
ACO  A 201 (-3.6A)
ACO  A 201 ( 4.5A)
 1.33A 4w5oA-3x1jA:
2.6		 4w5oA-3x1jA:
13.27
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		 1dm3 BIOSYNTHETIC
THIOLASE ACETYLATED
AT CYS89
(Zoogloea
ramigera) 		5 / 9 LEU A 377
PHE A 319
ALA A 343
SER A 247
ALA A 246
 SCY  A  89 ( 3.8A)
ACO  A 813 (-4.4A)
None
ACO  A 813 (-3.7A)
ACO  A 813 ( 4.1A)
 1.39A 4wnuB-1dm3A:
0.0		 4wnuB-1dm3A:
22.00
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.
4WW7_A_ACTA305_0
(EKC/KEOPS COMPLEX
SUBUNIT BUD32)		 2q4v DIAMINE
ACETYLTRANSFERASE 2
(Homo
sapiens) 		4 / 6 LEU A 127
LEU A  91
GLU A  92
ILE A  94
 ACO  A 306 (-3.3A)
None
None
ACO  A 306 (-3.6A)
 0.80A 4ww7A-2q4vA:
undetectable		 4ww7A-2q4vA:
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.
4XOY_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 1j4j TABTOXIN RESISTANCE
PROTEIN
(Pseudomonas
amygdali) 		4 / 6 ALA A  88
LEU A 107
MET A 108
LEU A  35
 None
ACO  A 301 (-3.9A)
None
None
 1.05A 4xoyA-1j4jA:
undetectable		 4xoyA-1j4jA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP3_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 1j4j TABTOXIN RESISTANCE
PROTEIN
(Pseudomonas
amygdali) 		4 / 6 ALA A  88
GLN A  89
LEU A 107
MET A 108
 None
None
ACO  A 301 (-3.9A)
None
 1.25A 4xp3A-1j4jA:
undetectable		 4xp3A-1j4jA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP3_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 1j4j TABTOXIN RESISTANCE
PROTEIN
(Pseudomonas
amygdali) 		4 / 6 ALA A  88
LEU A 107
MET A 108
LEU A  35
 None
ACO  A 301 (-3.9A)
None
None
 1.09A 4xp3A-1j4jA:
undetectable		 4xp3A-1j4jA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUE_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kf2 PREDICTED
ACETYLTRANSFERASE
(Clostridium
acetobutylicum) 		5 / 12 ASN A  49
ILE A  81
ILE A  82
ASN A  19
SER A  80
 None
ACO  A 402 (-4.5A)
ACO  A 402 (-4.4A)
EDO  A 403 (-4.7A)
None
 1.45A 4xueA-5kf2A:
undetectable		 4xueA-5kf2A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUM_A_IMNA502_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4jwp GCN5-RELATED
N-ACETYLTRANSFERASE
(Brucella
abortus) 		4 / 7 GLU A  59
ILE A   5
LEU A 132
ILE A  98
 None
None
ACO  A 201 ( 4.2A)
ACO  A 201 (-4.4A)
 0.92A 4xumA-4jwpA:
undetectable		 4xumA-4jwpA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YPM_A_BO2A801_1
(LON PROTEASE)		 5hgz N-ALPHA-ACETYLTRANSF
ERASE 60
(Homo
sapiens) 		5 / 12 ALA A  56
THR A  58
LEU A  18
THR A  25
GLY A 102
 None
None
None
None
ACO  A 301 (-3.4A)
 1.02A 4ypmA-5hgzA:
undetectable		 4ypmA-5hgzA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4D_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		4 / 5 PHE A  76
PRO A   7
ALA A  36
PHE A  10
 PO4  A 202 (-4.3A)
ACO  A 201 (-4.5A)
ACO  A 201 (-3.6A)
ACO  A 201 ( 4.5A)
 1.30A 4z4dA-3x1jA:
3.0		 4z4dA-3x1jA:
13.27
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.
4Z4E_A_IPHA906_0
(PROTEIN ARGONAUTE-2)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		4 / 5 PHE A  76
PRO A   7
ALA A  36
PHE A  10
 PO4  A 202 (-4.3A)
ACO  A 201 (-4.5A)
ACO  A 201 (-3.6A)
ACO  A 201 ( 4.5A)
 1.30A 4z4eA-3x1jA:
2.9		 4z4eA-3x1jA:
13.27
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.
5AD9_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3dr8 YNCA
(Salmonella
enterica) 		4 / 7 VAL A 115
PHE A 136
HIS A 131
GLU A  82
 None
None
ACO  A1423 ( 4.5A)
ACT  A1429 (-2.8A)
 1.43A 5ad9A-3dr8A:
undetectable
5ad9B-3dr8A:
undetectable		 5ad9A-3dr8A:
16.86
5ad9B-3dr8A:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B2Q_A_ACTA1728_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9)		 2fxf DIAMINE
ACETYLTRANSFERASE 1
(Homo
sapiens) 		3 / 3 ASN A 133
SER A 136
ARG A 101
 ACO  A1000 ( 3.1A)
ACO  A1000 (-2.6A)
ACO  A1000 (-3.7A)
 0.72A 5b2qA-2fxfA:
undetectable		 5b2qA-2fxfA:
6.75
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.
5BPH_C_ACTC403_0
(D-ALANINE--D-ALANINE
LIGASE)		 4ri1 UDP-4-AMINO-4,6-DIDE
OXY-N-ACETYL-BETA-L-
ALTROSAMINE
N-ACETYLTRANSFERASE
(Helicobacter
pylori) 		4 / 4 TYR A 138
GLY A  77
SER A  78
LEU A  91
 ACO  A1301 (-4.5A)
None
None
None
 1.33A 5bphC-4ri1A:
undetectable		 5bphC-4ri1A:
24.28
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.
5D75_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		 2i79 ACETYLTRANSFERASE,
GNAT FAMILY
(Streptococcus
pneumoniae) 		5 / 11 TYR A 139
LEU A 138
ILE A 112
ILE A  76
PHE A 144
 ACO  A 402 (-4.7A)
ACO  A 402 ( 4.5A)
None
None
None
 1.11A 5d75A-2i79A:
undetectable		 5d75A-2i79A:
17.71
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.
5DV4_A_NMYA601_2
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)		 3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Enterococcus
faecalis) 		3 / 3 GLU A  37
TRP A  38
ASN A  25
 None
ACO  A 401 (-3.6A)
None
 1.14A 5dv4A-3il4A:
undetectable		 5dv4A-3il4A:
22.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E26_A_PAUA602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 2i7n PANTOTHENATE KINASE
1
(Homo
sapiens) 		4 / 7 GLY A 418
SER A 420
ARG A 432
GLY A 435
 ACO  A 796 (-3.2A)
ACO  A 796 (-2.8A)
ACO  A 796 (-3.2A)
ACO  A 796 ( 4.2A)
 0.28A 5e26A-2i7nA:
23.0
5e26B-2i7nA:
40.9		 5e26A-2i7nA:
83.06
5e26B-2i7nA:
83.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E26_A_PAUA602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 2i7p PANTOTHENATE KINASE
3
(Homo
sapiens) 		4 / 7 GLY A 193
SER A 195
ARG A 207
GLY A 210
 ACO  A1604 (-3.2A)
ACO  A1604 (-2.6A)
ACO  A1604 (-3.2A)
ACO  A1604 ( 3.9A)
 0.17A 5e26A-2i7pA:
37.9
5e26B-2i7pA:
37.8		 5e26A-2i7pA:
82.19
5e26B-2i7pA:
82.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E26_B_PAUB601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 2i7n PANTOTHENATE KINASE
1
(Homo
sapiens) 		4 / 7 GLY A 418
SER A 420
ARG A 432
GLY A 435
 ACO  A 796 (-3.2A)
ACO  A 796 (-2.8A)
ACO  A 796 (-3.2A)
ACO  A 796 ( 4.2A)
 0.22A 5e26A-2i7nA:
23.0
5e26B-2i7nA:
40.9		 5e26A-2i7nA:
83.06
5e26B-2i7nA:
83.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E26_B_PAUB601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 2i7p PANTOTHENATE KINASE
3
(Homo
sapiens) 		4 / 7 GLY A 193
SER A 195
ARG A 207
GLY A 210
 ACO  A1604 (-3.2A)
ACO  A1604 (-2.6A)
ACO  A1604 (-3.2A)
ACO  A1604 ( 3.9A)
 0.19A 5e26A-2i7pA:
37.9
5e26B-2i7pA:
37.8		 5e26A-2i7pA:
82.19
5e26B-2i7pA:
82.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E26_C_PAUC602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 2i7n PANTOTHENATE KINASE
1
(Homo
sapiens) 		4 / 7 GLY A 418
SER A 420
ARG A 432
GLY A 435
 ACO  A 796 (-3.2A)
ACO  A 796 (-2.8A)
ACO  A 796 (-3.2A)
ACO  A 796 ( 4.2A)
 0.24A 5e26C-2i7nA:
41.0
5e26D-2i7nA:
41.4		 5e26C-2i7nA:
83.06
5e26D-2i7nA:
83.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E26_C_PAUC602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 2i7p PANTOTHENATE KINASE
3
(Homo
sapiens) 		4 / 7 GLY A 193
SER A 195
ARG A 207
GLY A 210
 ACO  A1604 (-3.2A)
ACO  A1604 (-2.6A)
ACO  A1604 (-3.2A)
ACO  A1604 ( 3.9A)
 0.20A 5e26C-2i7pA:
38.0
5e26D-2i7pA:
38.1		 5e26C-2i7pA:
82.19
5e26D-2i7pA:
82.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E26_D_PAUD601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 2i7n PANTOTHENATE KINASE
1
(Homo
sapiens) 		4 / 8 GLY A 418
SER A 420
ARG A 432
GLY A 435
 ACO  A 796 (-3.2A)
ACO  A 796 (-2.8A)
ACO  A 796 (-3.2A)
ACO  A 796 ( 4.2A)
 0.23A 5e26C-2i7nA:
41.0
5e26D-2i7nA:
41.4		 5e26C-2i7nA:
83.06
5e26D-2i7nA:
83.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E26_D_PAUD601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 2i7p PANTOTHENATE KINASE
3
(Homo
sapiens) 		4 / 8 GLY A 193
SER A 195
ARG A 207
GLY A 210
 ACO  A1604 (-3.2A)
ACO  A1604 (-2.6A)
ACO  A1604 (-3.2A)
ACO  A1604 ( 3.9A)
 0.17A 5e26C-2i7pA:
38.0
5e26D-2i7pA:
38.1		 5e26C-2i7pA:
82.19
5e26D-2i7pA:
82.19
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.
5E72_A_SAMA400_0
(N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE)		 4zbg ACETYLTRANSFERASE
(Brucella
abortus) 		5 / 12 ILE A   3
GLY A  94
ILE A  97
ILE A  14
LEU A  45
 None
ACO  A 201 (-3.6A)
None
None
None
 1.04A 5e72A-4zbgA:
undetectable		 5e72A-4zbgA:
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.
5G6S_B_RAUB400_1
(IMINE REDUCTASE)		 2d3t 3-KETOACYL-COA
THIOLASE
(Pseudomonas
fragi) 		5 / 11 MET C 130
PHE C 349
MET C 125
SER C 243
GLY C 152
 ACO  C1003 ( 4.1A)
None
None
ACO  C1003 (-3.5A)
None
 1.49A 5g6sB-2d3tC:
0.2
5g6sC-2d3tC:
0.2		 5g6sB-2d3tC:
23.21
5g6sC-2d3tC:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G6S_D_RAUD400_1
(IMINE REDUCTASE)		 2d3t 3-KETOACYL-COA
THIOLASE
(Pseudomonas
fragi) 		5 / 10 MET C 130
PHE C 349
MET C 125
SER C 243
GLY C 152
 ACO  C1003 ( 4.1A)
None
None
ACO  C1003 (-3.5A)
None
 1.49A 5g6sD-2d3tC:
0.2
5g6sF-2d3tC:
0.1		 5g6sD-2d3tC:
23.21
5g6sF-2d3tC:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G6S_E_RAUE400_1
(IMINE REDUCTASE)		 2d3t 3-KETOACYL-COA
THIOLASE
(Pseudomonas
fragi) 		5 / 11 MET C 130
PHE C 349
MET C 125
SER C 243
GLY C 152
 ACO  C1003 ( 4.1A)
None
None
ACO  C1003 (-3.5A)
None
 1.48A 5g6sE-2d3tC:
0.2
5g6sH-2d3tC:
0.0		 5g6sE-2d3tC:
23.21
5g6sH-2d3tC:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G6S_H_RAUH400_1
(IMINE REDUCTASE)		 2d3t 3-KETOACYL-COA
THIOLASE
(Pseudomonas
fragi) 		5 / 10 MET C 125
SER C 243
GLY C 152
MET C 130
PHE C 349
 None
ACO  C1003 (-3.5A)
None
ACO  C1003 ( 4.1A)
None
 1.49A 5g6sE-2d3tC:
0.2
5g6sH-2d3tC:
0.4		 5g6sE-2d3tC:
23.21
5g6sH-2d3tC:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GPG_A_RAPA301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		 2i79 ACETYLTRANSFERASE,
GNAT FAMILY
(Streptococcus
pneumoniae) 		5 / 11 TYR A 139
LEU A 138
ILE A 112
ILE A  76
PHE A 144
 ACO  A 402 (-4.7A)
ACO  A 402 ( 4.5A)
None
None
None
 1.08A 5gpgA-2i79A:
undetectable		 5gpgA-2i79A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI2_A_BAXA801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2ge3 PROBABLE
ACETYLTRANSFERASE
(Agrobacterium
tumefaciens) 		5 / 8 ILE A  54
VAL A  50
VAL A  28
ILE A  93
ILE A  70
 None
None
None
ACO  A1301 (-4.0A)
None
 1.49A 5hi2A-2ge3A:
undetectable		 5hi2A-2ge3A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I6X_A_8PRA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 6ao7 ACETYLTRANSFERASE
(Elizabethkingia
anophelis) 		5 / 10 ASP A  86
ALA A  69
ILE A  68
TYR A  53
GLY A  51
 None
ACO  A 201 (-3.8A)
ACO  A 201 (-4.5A)
None
None
 1.25A 5i6xA-6ao7A:
undetectable		 5i6xA-6ao7A:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ICX_E_SC2E1_1
(CETUXIMAB FAB LIGHT
CHAIN
MEDITOPE)		 3zj0 ACETYLTRANSFERASE
(Oceanicola
granulosus) 		3 / 3 VAL A   5
GLN A 143
CYH A  68
 None
ACO  A1205 (-3.7A)
None
 0.83A 5icxA-3zj0A:
undetectable
5icxE-3zj0A:
undetectable		 5icxA-3zj0A:
16.37
5icxE-3zj0A:
9.09
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.
5IEN_B_VDYB201_2
(CDL2.2)		 2zpa UNCHARACTERIZED
PROTEIN YPFI
(Escherichia
coli) 		5 / 12 LEU A 500
PHE A 503
LEU A 476
ALA A 376
LEU A 373
 ACO  A 700 ( 4.6A)
ACO  A 700 (-3.8A)
None
ACO  A 700 ( 4.5A)
None
 1.24A 5ienB-2zpaA:
undetectable		 5ienB-2zpaA:
12.05
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.
5IEP_A_VDYA201_1
(CDL2.3B)		 3exn PROBABLE
ACETYLTRANSFERASE
(Thermus
thermophilus) 		5 / 12 PHE A 135
LEU A  74
PHE A 140
ALA A  86
LEU A 114
 ACO  A1001 (-4.3A)
None
None
None
None
 0.97A 5iepA-3exnA:
undetectable		 5iepA-3exnA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 5kf2 PREDICTED
ACETYLTRANSFERASE
(Clostridium
acetobutylicum) 		5 / 12 ILE A  81
LEU A 104
ASP A 117
GLY A 115
ILE A  58
 ACO  A 402 (-4.5A)
EDO  A 404 (-4.2A)
None
ACO  A 402 ( 4.7A)
None
 1.04A 5j7wD-5kf2A:
undetectable		 5j7wD-5kf2A:
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.
5K50_A_ACTA1403_0
(L-THREONINE
3-DEHYDROGENASE)		 5t7d PHOSPHINOTHRICIN
N-ACETYLTRANSFERASE
(Streptomyces
hygroscopicus) 		4 / 5 SER A  94
VAL A  93
GLY A  70
ALA A  69
 None
ACO  A 800 (-3.9A)
None
None
 0.90A 5k50A-5t7dA:
undetectable		 5k50A-5t7dA:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KPR_A_PAUA404_0
(PANTOTHENATE KINASE
3)		 2i7n PANTOTHENATE KINASE
1
(Homo
sapiens) 		4 / 5 GLY A 418
SER A 420
ARG A 432
GLY A 435
 ACO  A 796 (-3.2A)
ACO  A 796 (-2.8A)
ACO  A 796 (-3.2A)
ACO  A 796 ( 4.2A)
 0.25A 5kprA-2i7nA:
41.2		 5kprA-2i7nA:
76.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KPR_A_PAUA404_0
(PANTOTHENATE KINASE
3)		 2i7p PANTOTHENATE KINASE
3
(Homo
sapiens) 		4 / 5 GLY A 193
SER A 195
ARG A 207
GLY A 210
 ACO  A1604 (-3.2A)
ACO  A1604 (-2.6A)
ACO  A1604 (-3.2A)
ACO  A1604 ( 3.9A)
 0.18A 5kprA-2i7pA:
38.4		 5kprA-2i7pA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LJC_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 6ao7 ACETYLTRANSFERASE
(Elizabethkingia
anophelis) 		5 / 12 ALA A  24
LEU A  23
TYR A  18
ILE A  31
LEU A  42
 ACO  A 201 (-3.4A)
ACO  A 201 (-4.7A)
None
None
None
 1.28A 5ljcA-6ao7A:
undetectable		 5ljcA-6ao7A:
16.46
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.
5LJE_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 5gk9 HISTONE
ACETYLTRANSFERASE
KAT7
(Homo
sapiens) 		4 / 6 LEU A 514
ILE A 457
THR A 477
MET A 446
 ACO  A 702 (-3.4A)
None
ACO  A 702 (-3.0A)
None
 1.23A 5ljeA-5gk9A:
undetectable		 5ljeA-5gk9A:
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.
5M8R_A_MMSA511_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 3dr8 YNCA
(Salmonella
enterica) 		4 / 7 HIS A  83
HIS A 131
LEU A 134
SER A 127
 ACO  A1423 (-4.3A)
ACO  A1423 ( 4.5A)
None
ACO  A1423 (-3.4A)
 0.99A 5m8rA-3dr8A:
undetectable		 5m8rA-3dr8A:
16.46
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.
5M8R_B_MMSB514_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 3dr8 YNCA
(Salmonella
enterica) 		4 / 8 HIS A  83
HIS A 131
LEU A 134
SER A 127
 ACO  A1423 (-4.3A)
ACO  A1423 ( 4.5A)
None
ACO  A1423 (-3.4A)
 0.99A 5m8rB-3dr8A:
undetectable		 5m8rB-3dr8A:
16.46
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.
5M8R_D_MMSD509_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 3dr8 YNCA
(Salmonella
enterica) 		4 / 8 HIS A  83
HIS A 131
LEU A 134
SER A 127
 ACO  A1423 (-4.3A)
ACO  A1423 ( 4.5A)
None
ACO  A1423 (-3.4A)
 0.99A 5m8rD-3dr8A:
undetectable		 5m8rD-3dr8A:
16.46
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.
5MIO_B_LOCB502_1
(TUBULIN BETA CHAIN)		 5hgz N-ALPHA-ACETYLTRANSF
ERASE 60
(Homo
sapiens) 		5 / 12 LEU A 101
LEU A  99
LEU A 120
ALA A  96
ILE A 135
 ACO  A 301 (-4.3A)
None
None
None
None
 1.06A 5mioB-5hgzA:
undetectable		 5mioB-5hgzA:
17.97
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.
5N0W_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 3mgd PREDICTED
ACETYLTRANSFERASE
(Clostridium
acetobutylicum) 		4 / 5 TYR A 133
ALA A 102
GLN A  22
THR A  92
 ACO  A 200 (-4.6A)
ACO  A 200 (-3.1A)
ACO  A 200 (-4.5A)
ACO  A 200 (-3.0A)
 1.05A 5n0wB-3mgdA:
undetectable		 5n0wB-3mgdA:
18.54
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.
5N4I_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 3mgd PREDICTED
ACETYLTRANSFERASE
(Clostridium
acetobutylicum) 		4 / 5 TYR A 133
ALA A 102
GLN A  22
THR A  92
 ACO  A 200 (-4.6A)
ACO  A 200 (-3.1A)
ACO  A 200 (-4.5A)
ACO  A 200 (-3.0A)
 1.06A 5n4iA-3mgdA:
undetectable		 5n4iA-3mgdA:
18.29
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.
5N4T_B_BEZB306_0
(BETA-LACTAMASE VIM-2)		 2a81 CARB
(Pectobacterium
carotovorum) 		3 / 3 HIS A  17
ASN A  22
ALA A  60
 None
None
ACO  A 500 (-3.7A)
 0.65A 5n4tB-2a81A:
undetectable		 5n4tB-2a81A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O4Y_D_CCSD14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2
PROGRAMMED CELL
DEATH 1 LIGAND 1)		 2zpa UNCHARACTERIZED
PROTEIN YPFI
(Escherichia
coli) 		5 / 12 PHE A 503
TRP A 504
ARG A 502
GLY A 498
THR A 497
 ACO  A 700 (-3.8A)
None
None
None
None
 1.20A 5o4yD-2zpaA:
undetectable
5o4yE-2zpaA:
undetectable		 5o4yD-2zpaA:
2.85
5o4yE-2zpaA:
10.97
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.
5O4Y_F_CCSF14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		 2zpa UNCHARACTERIZED
PROTEIN YPFI
(Escherichia
coli) 		4 / 6 PHE A 503
TRP A 504
ARG A 502
GLY A 498
 ACO  A 700 (-3.8A)
None
None
None
 0.88A 5o4yF-2zpaA:
undetectable		 5o4yF-2zpaA:
2.85
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.
5O96_A_SAMA501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 5wjd CG8481, ISOFORM B
(Drosophila
melanogaster) 		5 / 11 LEU A  74
SER A  57
LEU A  58
VAL A  89
ALA A 108
 None
None
None
ACO  A 201 (-4.0A)
None
 1.14A 5o96A-5wjdA:
undetectable
5o96B-5wjdA:
undetectable		 5o96A-5wjdA:
undetectable
5o96B-5wjdA:
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.
5U6N_A_SALA505_1
(UDP-GLYCOSYLTRANSFER
ASE 74F2)		 2f6r BIFUNCTIONAL
COENZYME A SYNTHASE
(Mus
musculus) 		4 / 8 SER A 222
MET A 178
TRP A 150
THR A 146
 ACO  A 270 ( 3.9A)
ACO  A 270 (-3.9A)
ACO  A 270 (-3.9A)
ACO  A 270 (-4.6A)
 1.26A 5u6nA-2f6rA:
4.3		 5u6nA-2f6rA:
22.27
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.
5UC1_A_486A801_1
(GLUCOCORTICOID
RECEPTOR)		 2i79 ACETYLTRANSFERASE,
GNAT FAMILY
(Streptococcus
pneumoniae) 		5 / 12 LEU A  90
LEU A 126
GLY A 168
VAL A 145
LEU A 138
 None
ACO  A 402 (-4.1A)
None
None
ACO  A 402 ( 4.5A)
 0.95A 5uc1A-2i79A:
undetectable		 5uc1A-2i79A:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UC1_B_486B801_2
(GLUCOCORTICOID
RECEPTOR)		 2i79 ACETYLTRANSFERASE,
GNAT FAMILY
(Streptococcus
pneumoniae) 		5 / 12 LEU A  90
LEU A 126
GLY A 168
VAL A 145
LEU A 138
 None
ACO  A 402 (-4.1A)
None
None
ACO  A 402 ( 4.5A)
 0.94A 5uc1B-2i79A:
undetectable		 5uc1B-2i79A:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UVM_B_ADNB207_1
(HISTIDINE TRIAD
(HIT) PROTEIN)		 5kf2 PREDICTED
ACETYLTRANSFERASE
(Clostridium
acetobutylicum) 		5 / 12 ILE A  20
ILE A  82
ASP A  84
ILE A  85
LEU A  15
 None
ACO  A 402 (-4.4A)
None
EDO  A 403 (-4.7A)
None
 0.95A 5uvmB-5kf2A:
2.0		 5uvmB-5kf2A:
18.54
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.
5XDQ_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3q33 HISTONE
ACETYLTRANSFERASE
RTT109
(Saccharomyces
cerevisiae) 		4 / 7 LEU A 218
ARG A 243
MET A 330
LEU A 191
 ACO  A 501 (-4.6A)
None
None
ACO  A 501 ( 4.0A)
 0.98A 5xdqA-3q33A:
undetectable
5xdqJ-3q33A:
undetectable		 5xdqA-3q33A:
22.18
5xdqJ-3q33A:
8.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_E_CHDE401_0
(BILE SALT HYDROLASE)		 2ozu HISTONE
ACETYLTRANSFERASE
MYST3
(Homo
sapiens) 		4 / 8 TYR A 653
ILE A 649
LEU A 618
LEU A 544
 None
ACO  A 850 (-3.6A)
None
None
 0.87A 5y7pE-2ozuA:
undetectable		 5y7pE-2ozuA:
21.17
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.
6CGG_B_84GB600_0
(BIFUNCTIONAL AAC/APH)		 2d3t 3-KETOACYL-COA
THIOLASE
(Pseudomonas
fragi) 		5 / 10 SER C 352
ASN C 312
HIS C 347
GLU C 310
GLU C 192
 None
ACO  C1003 (-4.4A)
ACO  C1003 (-3.9A)
None
None
 1.45A 6cggB-2d3tC:
0.0		 6cggB-2d3tC:
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 4u9v N-ALPHA-ACETYLTRANSF
ERASE 40
(Homo
sapiens) 		5 / 11 VAL B 140
ALA B 120
LEU B 190
TYR B  48
LEU B 109
 ACO  B 301 (-4.2A)
None
None
None
None
 1.04A 6dk1B-4u9vB:
undetectable		 6dk1B-4u9vB:
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.
6E5Z_A_CCSA106_0
(PROTEIN/NUCLEIC ACID
DEGLYCASE DJ-1)		 3zj0 ACETYLTRANSFERASE
(Oceanicola
granulosus) 		5 / 10 GLY A  43
ILE A  45
ALA A  47
PRO A  49
HIS A 135
 None
None
None
None
ACO  A1205 (-3.1A)
 0.74A 6e5zA-3zj0A:
undetectable		 6e5zA-3zj0A:
27.00
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.
6FGD_A_ACTA824_0
(GEPHYRIN)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		4 / 4 LEU A 153
ASP A  11
PRO A  12
ARG A 132
 None
None
None
ACO  A 201 ( 4.1A)
 1.24A 6fgdA-3x1jA:
2.8		 6fgdA-3x1jA:
16.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GTQ_A_ACTA204_0
(N-ACETYLTRANSFERASE)		 5xun ACETYLTRANSFERASE
(Klebsiella
pneumoniae) 		4 / 5 LEU A  45
THR A  64
THR A  93
GLY A  95
 None
None
None
ACO  A 201 (-4.8A)
 0.30A 6gtqA-5xunA:
24.7		 6gtqA-5xunA:
65.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GTQ_B_ACTB207_0
(DUF1778
DOMAIN-CONTAINING
PROTEIN
N-ACETYLTRANSFERASE)		 5xun ACETYLTRANSFERASE
(Klebsiella
pneumoniae) 		4 / 6 LEU A  45
THR A  64
GLY A  95
ARG A  96
 None
None
ACO  A 201 (-4.8A)
None
 0.37A 6gtqB-5xunA:
23.9
6gtqD-5xunA:
undetectable		 6gtqB-5xunA:
65.73
6gtqD-5xunA:
14.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		5 / 5 GLY A   8
THR A   9
HIS A  17
SER A 127
SER A 128
 ACO  A 201 (-3.2A)
ACO  A 201 (-3.9A)
ACO  A 201 (-4.1A)
ACO  A 201 (-3.0A)
ACO  A 201 (-3.1A)
 0.79A 6jmjA-3x1jA:
26.1		 6jmjA-3x1jA:
67.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JNH_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		7 / 7 GLY A   8
THR A   9
PHE A  10
HIS A  17
ARG A  90
SER A 127
SER A 128
 ACO  A 201 (-3.2A)
ACO  A 201 (-3.9A)
ACO  A 201 ( 4.5A)
ACO  A 201 (-4.1A)
ACO  A 201 (-4.4A)
ACO  A 201 (-3.0A)
ACO  A 201 (-3.1A)
 0.93A 6jnhA-3x1jA:
26.2		 6jnhA-3x1jA:
67.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JOG_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		5 / 6 GLY A   8
THR A   9
HIS A  17
ARG A  90
SER A 127
 ACO  A 201 (-3.2A)
ACO  A 201 (-3.9A)
ACO  A 201 (-4.1A)
ACO  A 201 (-4.4A)
ACO  A 201 (-3.0A)
 0.86A 6jogA-3x1jA:
26.1		 6jogA-3x1jA:
67.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JOG_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Pseudomonas
aeruginosa) 		5 / 6 GLY A   8
THR A   9
HIS A  17
SER A 127
SER A 128
 ACO  A 201 (-3.2A)
ACO  A 201 (-3.9A)
ACO  A 201 (-4.1A)
ACO  A 201 (-3.0A)
ACO  A 201 (-3.1A)
 0.82A 6jogA-3x1jA:
26.1		 6jogA-3x1jA:
67.70