SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'PYR'


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.
1DB1_A_VDXA428_2
(VITAMIN D NUCLEAR
RECEPTOR)		 5tvo S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME
(Trypanosoma
brucei) 		4 / 6 ILE A  98
ARG B  34
TYR A 274
VAL B  82
 None
None
None
PYR  A 401 (-3.7A)
 1.07A 1db1A-5tvoA:
undetectable		 1db1A-5tvoA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4007_1
(SERUM ALBUMIN)		 1mhm S-ADENOSYLMETHIONINE
DECARBOXYLASE
(Solanum
tuberosum) 		4 / 8 LEU B  70
ASP B  46
LEU B  45
LEU B  49
 PYR  A  73 ( 4.1A)
None
None
None
 0.94A 1e7cA-1mhmB:
undetectable		 1e7cA-1mhmB:
9.46
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.
1GSF_A_EAAA223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 1igw ISOCITRATE LYASE
(Escherichia
coli) 		4 / 8 TYR A 112
GLY A  92
VAL A 183
PHE A 162
 None
PYR  A1444 (-3.7A)
None
None
 1.20A 1gsfA-1igwA:
0.0		 1gsfA-1igwA:
20.76
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.
1GSF_B_EAAB223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 1igw ISOCITRATE LYASE
(Escherichia
coli) 		4 / 8 TYR A 112
GLY A  92
VAL A 183
PHE A 162
 None
PYR  A1444 (-3.7A)
None
None
 1.21A 1gsfB-1igwA:
0.0		 1gsfB-1igwA:
20.76
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.
1GSF_D_EAAD223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 1igw ISOCITRATE LYASE
(Escherichia
coli) 		4 / 8 TYR A 112
GLY A  92
VAL A 183
PHE A 162
 None
PYR  A1444 (-3.7A)
None
None
 1.20A 1gsfD-1igwA:
0.0		 1gsfD-1igwA:
20.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I7Q_A_BEZA1501_0
(ANTHRANILATE
SYNTHASE)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		11 / 11 GLU A 309
ILE A 326
GLY A 328
THR A 329
GLU A 361
HIS A 398
LEU A 426
ARG A 469
GLY A 485
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 4.7A)
PYR  A1601 ( 3.9A)
BEZ  A1501 (-3.8A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.00A 1i7qA-1i7qA:
69.0		 1i7qA-1i7qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I7Q_A_BEZA1501_0
(ANTHRANILATE
SYNTHASE)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		6 / 11 GLU A 309
ILE A 326
THR A 329
HIS A 398
GLY A 483
GLU A 498
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.9A)
BEZ  A1501 ( 4.2A)
PYR  A1601 (-3.8A)
MG  A1701 ( 2.6A)
 1.42A 1i7qA-1i7qA:
69.0		 1i7qA-1i7qA:
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.
1I7Q_A_BEZA1501_0
(ANTHRANILATE
SYNTHASE)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		9 / 11 GLU A 201
ILE A 216
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.2A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.41A 1i7qA-3r75A:
37.7		 1i7qA-3r75A:
24.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I7Q_C_BEZC1502_0
(ANTHRANILATE
SYNTHASE)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		10 / 10 GLU A 309
ILE A 326
GLY A 328
THR A 329
GLU A 361
HIS A 398
ARG A 469
GLY A 485
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
BEZ  A1501 (-3.8A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.15A 1i7qC-1i7qA:
65.7		 1i7qC-1i7qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I7Q_C_BEZC1502_0
(ANTHRANILATE
SYNTHASE)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		6 / 10 GLU A 309
ILE A 326
THR A 329
HIS A 398
GLY A 483
GLU A 498
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.9A)
BEZ  A1501 ( 4.2A)
PYR  A1601 (-3.8A)
MG  A1701 ( 2.6A)
 1.41A 1i7qC-1i7qA:
65.7		 1i7qC-1i7qA:
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.
1I7Q_C_BEZC1502_0
(ANTHRANILATE
SYNTHASE)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		9 / 10 GLU A 201
ILE A 216
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.2A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.39A 1i7qC-3r75A:
33.9		 1i7qC-3r75A:
24.22
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.
1IBG_H_OBNH1_1
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN))		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		4 / 6 LEU A 222
TRP A 217
PHE A  49
TYR A 101
 None
PYR  A 402 ( 4.1A)
PYR  A 402 (-4.2A)
None
 1.32A 1ibgH-4petA:
undetectable		 1ibgH-4petA:
20.93
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.
1IBG_H_OBNH1_1
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN))		 5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Pseudoalteromona
s
atlantica) 		4 / 6 LEU A 216
TRP A 211
PHE A  43
TYR A  95
 None
None
PYR  A 401 ( 4.2A)
PYR  A 401 (-4.6A)
 1.30A 1ibgH-5cm6A:
undetectable		 1ibgH-5cm6A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J78_B_VDYB500_1
(VITAMIN D BINDING
PROTEIN)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		5 / 10 GLU A 216
VAL A 218
PHE A  49
TYR A 102
LEU A  82
 CA  A 403 ( 2.1A)
PYR  A 402 ( 4.6A)
PYR  A 402 (-4.2A)
PYR  A 402 (-4.4A)
None
 1.47A 1j78B-4petA:
0.0		 1j78B-4petA:
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.
1J78_B_VDYB500_1
(VITAMIN D BINDING
PROTEIN)		 5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Pseudoalteromona
s
atlantica) 		5 / 10 GLU A 210
VAL A 212
PHE A  43
TYR A  96
LEU A  76
 NA  A 402 ( 3.2A)
PYR  A 401 ( 4.6A)
PYR  A 401 ( 4.2A)
PYR  A 401 (-4.3A)
None
 1.43A 1j78B-5cm6A:
0.9		 1j78B-5cm6A:
22.08
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.
1J96_A_TESA903_1
(3ALPHA-HYDROXYSTEROI
D DEHYDROGENASE TYPE
3)		 4exo METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
(Vibrio
parahaemolyticus) 		4 / 6 TYR A  66
VAL A 101
ILE A 102
LEU A  78
 PYR  A 201 (-4.4A)
None
None
None
 1.32A 1j96A-4exoA:
undetectable		 1j96A-4exoA:
17.80
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.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 11 ASP A 174
SER A 175
GLY A 321
GLY A 290
GLN A 289
 None
PYR  A 402 (-2.6A)
None
None
None
 1.45A 1jr1A-4lrsA:
6.9		 1jr1A-4lrsA:
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.
1KIA_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1igw ISOCITRATE LYASE
(Escherichia
coli) 		5 / 12 VAL A 120
ALA A 182
MET A 175
GLY A  92
TYR A 112
 None
None
None
PYR  A1444 (-3.7A)
None
 1.15A 1kiaB-1igwA:
undetectable		 1kiaB-1igwA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N2X_A_SAMA401_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 2r94 2-KETO-3-DEOXY-(6-PH
OSPHO-)GLUCONATE
ALDOLASE
(Thermoproteus
tenax) 		5 / 12 THR A 175
VAL A 214
VAL A 202
TYR A 148
ARG A 255
 PYR  A 999 ( 4.4A)
None
None
PYR  A 999 (-4.5A)
None
 1.23A 1n2xA-2r94A:
undetectable		 1n2xA-2r94A:
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.
1N2X_A_SAMA401_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 THR A  16
GLY A 229
GLY A 205
VAL A  48
ARG A  21
 None
None
None
None
PYR  A 402 (-2.5A)
 1.32A 1n2xA-4lrsA:
undetectable		 1n2xA-4lrsA:
23.10
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.
1PXX_B_DIFB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		5 / 9 VAL A 249
LEU A 252
VAL A 265
GLY A 483
ALA A 484
 None
None
None
PYR  A1601 (-3.8A)
BEZ  A1501 (-4.2A)
 1.28A 1pxxB-1i7qA:
undetectable		 1pxxB-1i7qA:
22.26
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.
1PXX_D_DIFD3701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		5 / 10 VAL A 249
LEU A 252
VAL A 265
GLY A 483
ALA A 484
 None
None
None
PYR  A1601 (-3.8A)
BEZ  A1501 (-4.2A)
 1.28A 1pxxD-1i7qA:
0.0		 1pxxD-1i7qA:
22.26
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.
1R15_C_NCAC439_0
(ADP-RIBOSYL CYCLASE)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		3 / 3 TRP A 217
PHE A  49
TRP A  42
 PYR  A 402 ( 4.1A)
PYR  A 402 (-4.2A)
None
 1.37A 1r15C-4petA:
undetectable		 1r15C-4petA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_C_NCAC439_0
(ADP-RIBOSYL CYCLASE)		 5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Pseudoalteromona
s
atlantica) 		3 / 3 TRP A 211
PHE A  43
TRP A  36
 None
PYR  A 401 ( 4.2A)
None
 1.29A 1r15C-5cm6A:
undetectable		 1r15C-5cm6A:
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.
1R15_F_NCAF469_0
(ADP-RIBOSYL CYCLASE)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		3 / 3 TRP A 217
PHE A  49
TRP A  42
 PYR  A 402 ( 4.1A)
PYR  A 402 (-4.2A)
None
 1.36A 1r15F-4petA:
undetectable		 1r15F-4petA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_F_NCAF469_0
(ADP-RIBOSYL CYCLASE)		 5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Pseudoalteromona
s
atlantica) 		3 / 3 TRP A 211
PHE A  43
TRP A  36
 None
PYR  A 401 ( 4.2A)
None
 1.28A 1r15F-5cm6A:
undetectable		 1r15F-5cm6A:
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.
1R15_G_NCAG479_0
(ADP-RIBOSYL CYCLASE)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		3 / 3 TRP A 217
PHE A  49
TRP A  42
 PYR  A 402 ( 4.1A)
PYR  A 402 (-4.2A)
None
 1.37A 1r15G-4petA:
undetectable		 1r15G-4petA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_G_NCAG479_0
(ADP-RIBOSYL CYCLASE)		 5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Pseudoalteromona
s
atlantica) 		3 / 3 TRP A 211
PHE A  43
TRP A  36
 None
PYR  A 401 ( 4.2A)
None
 1.28A 1r15G-5cm6A:
undetectable		 1r15G-5cm6A:
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.
1R15_H_NCAH489_0
(ADP-RIBOSYL CYCLASE)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		3 / 3 TRP A 217
PHE A  49
TRP A  42
 PYR  A 402 ( 4.1A)
PYR  A 402 (-4.2A)
None
 1.36A 1r15H-4petA:
undetectable		 1r15H-4petA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_H_NCAH489_0
(ADP-RIBOSYL CYCLASE)		 5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Pseudoalteromona
s
atlantica) 		3 / 3 TRP A 211
PHE A  43
TRP A  36
 None
PYR  A 401 ( 4.2A)
None
 1.27A 1r15H-5cm6A:
undetectable		 1r15H-5cm6A:
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.
1RXC_C_URFC2081_1
(URIDINE
PHOSPHORYLASE)		 4plf LACTATE
DEHYDROGENASE
(Apicomplexa) 		4 / 7 GLY A 230
ARG A  99
ILE A 232
VAL A 233
 None
PYR  A 402 (-3.8A)
None
None
 0.98A 1rxcC-4plfA:
undetectable		 1rxcC-4plfA:
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.
1TV8_A_SAMA1501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		4 / 7 TYR A 235
THR A 244
THR A 155
SER A 221
 None
PYR  A 402 ( 4.1A)
PYR  A 402 ( 4.9A)
None
 1.17A 1tv8A-4petA:
undetectable		 1tv8A-4petA:
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.
1XL6_B_SPMB3001_1
(INWARD RECTIFIER
POTASSIUM CHANNEL)		 4zbt ACETOACETATE
DECARBOXYLASE
(Streptomyces
bingchenggensis) 		4 / 5 TYR A  67
ALA A  25
TYR A  24
GLN A 118
 None
None
PYR  A 301 ( 4.2A)
PYR  A 301 (-3.0A)
 0.89A 1xl6A-4zbtA:
undetectable
1xl6B-4zbtA:
undetectable		 1xl6A-4zbtA:
23.68
1xl6B-4zbtA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJT_A_SAMA501_0
(N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 LEU A  92
ALA A  90
ILE A  51
ILE A 116
ALA A 117
 None
None
None
None
PYR  A 402 ( 4.7A)
 1.22A 2ejtA-4lrsA:
undetectable		 2ejtA-4lrsA:
22.89
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.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		4 / 8 TYR A 235
THR A 244
THR A 155
SER A 221
 None
PYR  A 402 ( 4.1A)
PYR  A 402 ( 4.9A)
None
 1.15A 2fb2A-4petA:
undetectable		 2fb2A-4petA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FB2_B_SAMB501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		4 / 7 TYR A 235
THR A 244
THR A 155
SER A 221
 None
PYR  A 402 ( 4.1A)
PYR  A 402 ( 4.9A)
None
 1.11A 2fb2B-4petA:
undetectable		 2fb2B-4petA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FB2_B_SAMB501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Pseudoalteromona
s
atlantica) 		4 / 7 TYR A 229
THR A 238
THR A 149
SER A 215
 None
PYR  A 401 (-3.8A)
None
None
 1.21A 2fb2B-5cm6A:
undetectable		 2fb2B-5cm6A:
22.06
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		9 / 11 GLU A 309
GLY A 328
THR A 329
GLU A 361
HIS A 398
ARG A 469
GLY A 485
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
BEZ  A1501 (-3.8A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.31A 2fn1A-1i7qA:
42.3		 2fn1A-1i7qA:
29.04
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		5 / 11 GLU A 309
THR A 329
HIS A 398
GLY A 483
GLU A 498
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 ( 4.2A)
PYR  A1601 (-3.8A)
MG  A1701 ( 2.6A)
 1.35A 2fn1A-1i7qA:
42.3		 2fn1A-1i7qA:
29.04
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		7 / 11 GLY A 328
THR A 329
GLU A 358
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 4.3A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 1.45A 2fn1A-1i7qA:
42.3		 2fn1A-1i7qA:
29.04
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		8 / 11 GLU A 201
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.31A 2fn1A-3r75A:
43.7		 2fn1A-3r75A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		10 / 11 GLU A 309
GLY A 328
THR A 329
GLU A 361
HIS A 398
THR A 425
ARG A 469
GLY A 485
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
BEZ  A1501 (-4.7A)
PYR  A1601 ( 3.9A)
BEZ  A1501 (-3.8A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.41A 2fn1B-1i7qA:
41.7		 2fn1B-1i7qA:
29.04
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.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		5 / 11 GLU A 309
THR A 329
HIS A 398
GLY A 483
GLU A 498
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 ( 4.2A)
PYR  A1601 (-3.8A)
MG  A1701 ( 2.6A)
 1.36A 2fn1B-1i7qA:
41.7		 2fn1B-1i7qA:
29.04
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.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		7 / 11 GLY A 328
THR A 329
GLU A 358
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 4.3A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 1.39A 2fn1B-1i7qA:
41.7		 2fn1B-1i7qA:
29.04
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.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		9 / 11 GLU A 201
GLY A 218
THR A 219
GLU A 244
HIS A 279
THR A 304
ARG A 352
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
BEZ  A 701 (-4.7A)
PYR  A 702 ( 3.9A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.39A 2fn1B-3r75A:
43.1		 2fn1B-3r75A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		5 / 11 GLY A 218
THR A 219
HIS A 279
THR A 369
ARG A 352
 BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
BEZ  A 701 (-3.8A)
BEZ  A 701 (-4.1A)
PYR  A 702 ( 3.9A)
 1.17A 2fn1B-3r75A:
43.1		 2fn1B-3r75A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FR3_A_REAA300_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
2)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		5 / 12 ILE A 349
THR A 314
THR A 306
VAL A 305
ARG A  80
 None
None
None
PYR  A 702 ( 4.7A)
None
 1.03A 2fr3A-3r75A:
undetectable		 2fr3A-3r75A:
12.04
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.
2QL8_A_BEZA143_0
(PUTATIVE REDOX
PROTEIN)		 4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE
(Cryptosporidium
parvum) 		4 / 7 ALA A 240
THR A 245
ALA A 246
PRO A 105
 None
PYR  A 402 ( 3.8A)
PYR  A 402 ( 3.6A)
None
 1.00A 2ql8A-4nd4A:
undetectable
2ql8B-4nd4A:
3.5		 2ql8A-4nd4A:
19.81
2ql8B-4nd4A:
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.
2RK8_A_PPFA3969_1
(PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP])		 6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)
(Escherichia
coli) 		6 / 8 ARG A  65
LYS A 212
LYS A 213
HIS A 232
ASP A 269
ARG A 333
 PYR  A 602 (-4.0A)
PYR  A 602 (-4.5A)
MN  A 604 ( 2.1A)
MN  A 604 ( 3.3A)
MN  A 604 ( 2.5A)
ATP  A 601 ( 2.9A)
 0.91A 2rk8A-6d5iA:
29.3		 2rk8A-6d5iA:
10.80
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.
2RK8_A_PPFA3969_1
(PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP])		 6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)
(Escherichia
coli) 		4 / 8 LYS A 212
LYS A 213
ARG A 333
ALA A 250
 PYR  A 602 (-4.5A)
MN  A 604 ( 2.1A)
ATP  A 601 ( 2.9A)
ATP  A 601 (-3.3A)
 1.18A 2rk8A-6d5iA:
29.3		 2rk8A-6d5iA:
10.80
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.
2RK8_B_PPFB3969_1
(PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP])		 6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)
(Escherichia
coli) 		6 / 7 ARG A  65
LYS A 212
LYS A 213
HIS A 232
ASP A 269
ARG A 333
 PYR  A 602 (-4.0A)
PYR  A 602 (-4.5A)
MN  A 604 ( 2.1A)
MN  A 604 ( 3.3A)
MN  A 604 ( 2.5A)
ATP  A 601 ( 2.9A)
 0.84A 2rk8B-6d5iA:
29.4		 2rk8B-6d5iA:
10.80
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.
2V0M_D_KLND1499_1
(CYTOCHROME P450 3A4)		 4oe7 PROBABLE
2-KETO-3-DEOXY-GALAC
TONATE ALDOLASE YAGE
(Escherichia
coli) 		4 / 5 PHE A 265
PHE A  52
PHE A 147
ILE A  71
 None
PYR  A 410 (-4.6A)
GXT  A 409 (-4.1A)
None
 1.36A 2v0mD-4oe7A:
undetectable		 2v0mD-4oe7A:
22.07
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.
2VMY_A_GLYA502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		4 / 7 SER A 175
HIS A  25
HIS A 206
TYR A 295
 PYR  A 402 (-2.6A)
None
MG  A 404 ( 3.4A)
PYR  A 402 (-4.4A)
 1.45A 2vmyA-4lrsA:
undetectable
2vmyB-4lrsA:
2.3		 2vmyA-4lrsA:
23.20
2vmyB-4lrsA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		 4oe7 PROBABLE
2-KETO-3-DEOXY-GALAC
TONATE ALDOLASE YAGE
(Escherichia
coli) 		4 / 8 GLY A  55
ILE A 269
ASN A 224
GLU A  59
 PYR  A 410 (-3.2A)
None
None
None
 0.82A 2x0pA-4oe7A:
undetectable		 2x0pA-4oe7A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_A_QPSA1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
(Thermomonospora
curvata) 		5 / 12 ASP A  22
PHE A 298
TYR A 295
ASP A  57
HIS A 301
 MG  A 404 ( 2.7A)
None
PYR  A 402 (-4.4A)
None
None
 1.38A 2x2iA-4lrsA:
4.4		 2x2iA-4lrsA:
15.66
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.
2XF3_A_J01A600_1
(ORF12)		 6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)
(Escherichia
coli) 		5 / 11 THR A 404
ALA A 412
GLY A 410
PHE A 413
ARG A  65
 None
None
None
None
PYR  A 602 (-4.0A)
 1.09A 2xf3A-6d5iA:
undetectable		 2xf3A-6d5iA:
10.51
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.
2XF3_B_J01B600_1
(ORF12)		 6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)
(Escherichia
coli) 		5 / 11 THR A 404
ALA A 412
GLY A 410
PHE A 413
ARG A  65
 None
None
None
None
PYR  A 602 (-4.0A)
 1.07A 2xf3B-6d5iA:
undetectable		 2xf3B-6d5iA:
10.51
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.
2XFS_A_J01A600_1
(ORF12)		 6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)
(Escherichia
coli) 		5 / 10 THR A 404
ALA A 412
GLY A 410
PHE A 413
ARG A  65
 None
None
None
None
PYR  A 602 (-4.0A)
 1.14A 2xfsA-6d5iA:
undetectable		 2xfsA-6d5iA:
10.51
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.
2XFS_B_J01B600_1
(ORF12)		 6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)
(Escherichia
coli) 		5 / 11 THR A 404
ALA A 412
GLY A 410
PHE A 413
ARG A  65
 None
None
None
None
PYR  A 602 (-4.0A)
 1.08A 2xfsB-6d5iA:
undetectable		 2xfsB-6d5iA:
10.51
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.
2XH9_A_J01A1437_1
(ORF12)		 6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)
(Escherichia
coli) 		5 / 11 THR A 404
ALA A 412
GLY A 410
PHE A 413
ARG A  65
 None
None
None
None
PYR  A 602 (-4.0A)
 1.09A 2xh9A-6d5iA:
undetectable		 2xh9A-6d5iA:
10.51
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.
2XH9_B_J01B1437_1
(ORF12)		 6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)
(Escherichia
coli) 		5 / 10 THR A 404
ALA A 412
GLY A 410
PHE A 413
ARG A  65
 None
None
None
None
PYR  A 602 (-4.0A)
 1.07A 2xh9B-6d5iA:
undetectable		 2xh9B-6d5iA:
10.51
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.
2ZIF_A_SAMA298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 4oe7 PROBABLE
2-KETO-3-DEOXY-GALAC
TONATE ALDOLASE YAGE
(Escherichia
coli) 		5 / 12 SER A  22
PHE A  53
GLY A  55
LEU A  86
VAL A 113
 None
None
PYR  A 410 (-3.2A)
None
None
 1.24A 2zifA-4oe7A:
undetectable		 2zifA-4oe7A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZIF_B_SAMB298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 4oe7 PROBABLE
2-KETO-3-DEOXY-GALAC
TONATE ALDOLASE YAGE
(Escherichia
coli) 		5 / 12 SER A  22
PHE A  53
GLY A  55
LEU A  86
VAL A 113
 None
None
PYR  A 410 (-3.2A)
None
None
 1.20A 2zifB-4oe7A:
undetectable		 2zifB-4oe7A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		4 / 4 THR A 115
VAL A 218
GLY A 238
THR A 237
 None
PYR  A 402 ( 4.6A)
None
None
 1.10A 3cflA-4petA:
1.6		 3cflA-4petA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		 5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Pseudoalteromona
s
atlantica) 		4 / 4 THR A 109
VAL A 212
GLY A 232
THR A 231
 None
PYR  A 401 ( 4.6A)
None
None
 1.07A 3cflA-5cm6A:
1.7		 3cflA-5cm6A:
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.
3ELZ_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4jx6 PYRUVATE CARBOXYLASE
(Rhizobium
etli) 		4 / 7 GLY A 843
VAL A 591
LEU A 619
ARG A 621
 None
None
KCX  A 718 (-4.8A)
PYR  A1101 (-4.0A)
 0.91A 3elzA-4jx6A:
undetectable		 3elzA-4jx6A:
12.50
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.
3FPJ_B_SAMB301_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 4yj5 PYRUVATE KINASE PKM
(Homo
sapiens) 		4 / 7 GLN A 329
GLY A 298
GLY A 295
ALA A 303
 None
None
PYR  A 601 (-3.3A)
None
 0.88A 3fpjB-4yj5A:
2.5		 3fpjB-4yj5A:
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.
3ILT_E_TRUE800_1
(GLUTAMATE RECEPTOR 2)		 1mhm S-ADENOSYLMETHIONINE
DECARBOXYLASE
(Solanum
tuberosum) 		5 / 10 ILE B  56
SER A  74
MET A 237
SER A 236
SER B  67
 None
PYR  A  73 ( 3.9A)
None
PYR  A  73 ( 4.1A)
None
 1.49A 3iltB-1mhmB:
undetectable
3iltE-1mhmB:
undetectable		 3iltB-1mhmB:
17.98
3iltE-1mhmB:
17.98
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.
3J6P_B_TA1B502_1
(TUBULIN BETA CHAIN)		 5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA
(Methylobacillus
flagellatus) 		5 / 12 LEU C 125
SER C 105
THR C 142
GLY C  48
LEU C  81
 None
None
None
PYR  C2001 (-3.5A)
PYR  C2001 (-4.7A)
 1.20A 3j6pB-5ks8C:
2.6		 3j6pB-5ks8C:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J7Z_A_ERYA9000_0
(23S RRNA
50S RIBOSOMAL
PROTEIN L22
ERMCL NASCENT CHAIN)		 4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE
(Thermomonospora
curvata;
Thermomonospora
curvata) 		3 / 3 LYS B 207
ILE A 116
PHE A 143
 None
None
PYR  A 402 (-4.7A)
 0.72A 3j7zS-4lrsB:
undetectable
3j7za-4lrsB:
undetectable		 3j7zS-4lrsB:
14.24
3j7za-4lrsB:
4.78
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.
3JB2_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		5 / 12 GLY A 152
GLY A 153
ALA A  52
PHE A 150
ALA A  99
 None
None
None
None
PYR  A 402 ( 4.4A)
 1.01A 3jb2A-4petA:
undetectable		 3jb2A-4petA:
15.28
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.
3K9F_F_LFXF0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)
(Escherichia
coli) 		4 / 5 SER A 230
ARG A  65
GLY A 214
GLU A 210
 None
PYR  A 602 (-4.0A)
None
None
 1.26A 3k9fA-6d5iA:
undetectable
3k9fB-6d5iA:
undetectable
3k9fC-6d5iA:
undetectable		 3k9fA-6d5iA:
13.77
3k9fB-6d5iA:
13.77
3k9fC-6d5iA:
13.85
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.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)		 4zbt ACETOACETATE
DECARBOXYLASE
(Streptomyces
bingchenggensis) 		4 / 7 TYR A  24
LEU A 250
LEU A 209
THR A 255
 PYR  A 301 ( 4.2A)
None
None
None
 0.87A 3lm8A-4zbtA:
undetectable
3lm8C-4zbtA:
undetectable		 3lm8A-4zbtA:
21.40
3lm8C-4zbtA:
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.
3LOQ_A_ACTA278_0
(UNIVERSAL STRESS
PROTEIN)		 2o9a ACETATE OPERON
REPRESSOR
(Escherichia
coli) 		3 / 3 SER A  65
GLY A  68
SER A 145
 PYR  A 905 (-4.3A)
None
PYR  A 905 (-2.7A)
 0.62A 3loqA-2o9aA:
undetectable		 3loqA-2o9aA:
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.
3NXU_B_RITB600_1
(CYTOCHROME P450 3A4)		 5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Pseudoalteromona
s
atlantica) 		5 / 12 MET A  50
THR A 238
PHE A 242
ILE A  66
ALA A 195
 None
PYR  A 401 (-3.8A)
None
None
None
 1.15A 3nxuB-5cm6A:
undetectable		 3nxuB-5cm6A:
20.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PP7_B_SVRB499_1
(PYRUVATE KINASE)		 4yj5 PYRUVATE KINASE PKM
(Homo
sapiens) 		10 / 10 THR A  50
PRO A  53
ARG A  73
ASN A  75
HIS A  78
GLY A  79
TYR A  83
GLY A 363
ALA A 366
LYS A 367
 None
None
PYR  A 601 ( 4.7A)
MG  A 602 (-3.2A)
None
None
None
None
None
None
 0.48A 3pp7B-4yj5A:
49.3		 3pp7B-4yj5A:
49.71
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.
3R75_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		9 / 12 GLU A 309
ILE A 326
GLY A 328
THR A 329
GLU A 361
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.41A 3r75A-1i7qA:
37.8		 3r75A-1i7qA:
24.22
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.
3R75_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		7 / 12 GLY A 328
THR A 329
GLU A 358
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 4.3A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 1.44A 3r75A-1i7qA:
37.8		 3r75A-1i7qA:
24.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R75_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		12 / 12 GLU A 201
ILE A 216
SER A 217
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
SER A 368
THR A 369
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.2A)
BEZ  A 701 (-3.2A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
None
BEZ  A 701 (-4.1A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.00A 3r75A-3r75A:
74.2		 3r75A-3r75A:
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.
3R75_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		9 / 12 GLU A 309
ILE A 326
GLY A 328
THR A 329
GLU A 361
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.41A 3r75B-1i7qA:
37.1		 3r75B-1i7qA:
24.22
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.
3R75_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		7 / 12 GLY A 328
THR A 329
GLU A 358
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 4.3A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 1.45A 3r75B-1i7qA:
37.1		 3r75B-1i7qA:
24.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R75_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		12 / 12 GLU A 201
ILE A 216
SER A 217
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
SER A 368
THR A 369
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.2A)
BEZ  A 701 (-3.2A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
None
BEZ  A 701 (-4.1A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.05A 3r75B-3r75A:
71.0		 3r75B-3r75A:
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.
3R76_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		9 / 11 GLU A 309
ILE A 326
GLY A 328
THR A 329
GLU A 361
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.43A 3r76A-1i7qA:
38.0		 3r76A-1i7qA:
24.22
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.
3R76_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		7 / 11 GLY A 328
THR A 329
GLU A 358
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 4.3A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 1.46A 3r76A-1i7qA:
38.0		 3r76A-1i7qA:
24.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R76_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		11 / 11 GLU A 201
ILE A 216
SER A 217
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
THR A 369
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.2A)
BEZ  A 701 (-3.2A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
BEZ  A 701 (-4.1A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.13A 3r76A-3r75A:
71.0		 3r76A-3r75A:
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.
3R76_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		9 / 11 GLU A 309
ILE A 326
GLY A 328
THR A 329
GLU A 361
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.44A 3r76B-1i7qA:
37.2		 3r76B-1i7qA:
24.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R76_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		11 / 11 GLU A 201
ILE A 216
SER A 217
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
THR A 369
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.2A)
BEZ  A 701 (-3.2A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
BEZ  A 701 (-4.1A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.17A 3r76B-3r75A:
70.3		 3r76B-3r75A:
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.
3TJ7_A_ACTA604_0
(GBAA_1210 PROTEIN)		 4jgt 3-MERCAPTOPYRUVATE
SULFURTRANSFERASE
(Homo
sapiens) 		4 / 6 GLY A 249
VAL A 252
HIS A  74
THR A 253
 PYR  A 401 (-3.6A)
PYR  A 401 ( 4.4A)
None
PYR  A 401 ( 4.6A)
 1.04A 3tj7A-4jgtA:
undetectable
3tj7B-4jgtA:
undetectable		 3tj7A-4jgtA:
16.08
3tj7B-4jgtA:
16.08
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.
3TJ7_C_ACTC606_0
(GBAA_1210 PROTEIN)		 4jgt 3-MERCAPTOPYRUVATE
SULFURTRANSFERASE
(Homo
sapiens) 		5 / 6 GLY A 249
VAL A 252
HIS A  74
SER A 250
THR A 253
 PYR  A 401 (-3.6A)
PYR  A 401 ( 4.4A)
None
PYR  A 401 (-2.3A)
PYR  A 401 ( 4.6A)
 1.20A 3tj7C-4jgtA:
undetectable
3tj7D-4jgtA:
undetectable		 3tj7C-4jgtA:
16.08
3tj7D-4jgtA:
16.08
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.
3TJ7_D_ACTD605_0
(GBAA_1210 PROTEIN)		 4jgt 3-MERCAPTOPYRUVATE
SULFURTRANSFERASE
(Homo
sapiens) 		5 / 6 VAL A 252
HIS A  74
SER A 250
THR A 253
GLY A 249
 PYR  A 401 ( 4.4A)
None
PYR  A 401 (-2.3A)
PYR  A 401 ( 4.6A)
PYR  A 401 (-3.6A)
 1.19A 3tj7C-4jgtA:
undetectable
3tj7D-4jgtA:
undetectable		 3tj7C-4jgtA:
16.08
3tj7D-4jgtA:
16.08
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.
3UFG_B_LEUB289_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		3 / 3 PHE A  49
SER A 221
SER A 281
 PYR  A 402 (-4.2A)
None
None
 0.88A 3ufgB-4petA:
undetectable		 3ufgB-4petA:
24.05
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.
3UFG_B_LEUB289_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)		 5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Pseudoalteromona
s
atlantica) 		3 / 3 PHE A  43
SER A 215
SER A 275
 PYR  A 401 ( 4.2A)
None
None
 0.97A 3ufgB-5cm6A:
undetectable		 3ufgB-5cm6A:
25.27
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.
3V4T_A_ACTA505_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1uhd ASPARTATE
1-DECARBOXYLASE
ALPHA CHAIN
(Helicobacter
pylori) 		3 / 3 THR A  27
ASN A  71
GLU A  67
 None
PYR  A  25 (-4.3A)
None
 0.71A 3v4tA-1uhdA:
undetectable
3v4tC-1uhdA:
undetectable		 3v4tA-1uhdA:
12.72
3v4tC-1uhdA:
12.72
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.
3WIP_G_ACTG306_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3h3j L-LACTATE
DEHYDROGENASE 1
(Staphylococcus
aureus) 		3 / 3 ARG A  92
ARG A 155
ASP A 220
 PYR  A 501 (-3.9A)
PYR  A 501 (-2.9A)
None
 0.96A 3wipG-3h3jA:
undetectable
3wipH-3h3jA:
undetectable		 3wipG-3h3jA:
22.39
3wipH-3h3jA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A81_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 4jgp SPORULATION KINASE D
(Bacillus
subtilis) 		5 / 12 ILE A 153
GLY A 105
ASN A 110
MET A  89
LEU A  93
 PYR  A 301 (-3.9A)
None
None
None
None
 1.23A 4a81A-4jgpA:
undetectable		 4a81A-4jgpA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACB_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 5tvo S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME
(Trypanosoma
brucei) 		4 / 5 THR A  99
ILE A  98
GLU A 275
PHE A 271
 PYR  A 401 ( 4.4A)
None
None
None
 1.47A 4acbC-5tvoA:
undetectable		 4acbC-5tvoA:
20.43
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		 5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA
(Methylobacillus
flagellatus) 		5 / 12 LEU C  81
ARG C 114
HIS C 203
HIS C 205
SER C  17
 PYR  C2001 (-4.7A)
None
MN  C2002 (-3.5A)
MN  C2002 (-3.6A)
None
 1.35A 4aqlA-5ks8C:
5.4		 4aqlA-5ks8C:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1G_A_LNLA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4oe7 PROBABLE
2-KETO-3-DEOXY-GALAC
TONATE ALDOLASE YAGE
(Escherichia
coli) 		6 / 12 ASN A 224
ILE A 269
GLY A 202
ALA A 218
SER A 220
GLY A 223
 None
None
PYR  A 410 (-4.6A)
None
None
None
 1.45A 4e1gA-4oe7A:
undetectable		 4e1gA-4oe7A:
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.
4ECK_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3ep7 S-ADENOSYLMETHIONINE
DECARBOXYLASE ALPHA
CHAIN
S-ADENOSYLMETHIONINE
DECARBOXYLASE BETA
CHAIN
(Homo
sapiens;
Homo
sapiens) 		5 / 12 VAL B  64
ALA B  62
PHE A 255
VAL A 253
THR B  55
 PYR  A  68 (-3.6A)
None
None
None
None
 1.19A 4eckA-3ep7B:
undetectable		 4eckA-3ep7B:
7.25
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.
4K36_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 3plx ASPARTATE
1-DECARBOXYLASE
(Campylobacter
jejuni) 		5 / 12 ASN B 110
LEU B  32
ILE B  28
CYH B  69
LEU B  70
 PEG  B 127 ( 4.8A)
None
None
None
PYR  B  25 ( 4.8A)
 1.35A 4k36A-3plxB:
undetectable		 4k36A-3plxB:
11.99
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.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 3plx ASPARTATE
1-DECARBOXYLASE
(Campylobacter
jejuni) 		5 / 12 ASN B 110
LEU B  32
ILE B  28
CYH B  69
LEU B  70
 PEG  B 127 ( 4.8A)
None
None
None
PYR  B  25 ( 4.8A)
 1.36A 4k36B-3plxB:
undetectable		 4k36B-3plxB:
11.99
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.
4LB9_A_EVPA605_1
(SERUM ALBUMIN)		 4zbt ACETOACETATE
DECARBOXYLASE
(Streptomyces
bingchenggensis) 		5 / 10 TYR A   4
SER A  69
ARG A 114
ALA A 110
GLY A   3
 None
None
PYR  A 301 (-3.7A)
None
None
 1.40A 4lb9A-4zbtA:
undetectable		 4lb9A-4zbtA:
18.21
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.
4LVC_C_ADNC501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA
(Methylobacillus
flagellatus) 		5 / 12 LEU C  81
THR C 142
GLU C  44
ASP C 227
HIS C 201
 PYR  C2001 (-4.7A)
None
None
None
None
 1.24A 4lvcC-5ks8C:
undetectable		 4lvcC-5ks8C:
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.
4MF6_A_BEZA303_0
(GLUTATHIONE
S-TRANSFERASE DOMAIN)		 5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Pseudoalteromona
s
atlantica) 		4 / 5 THR A 238
PHE A 123
ASN A 148
TYR A 120
 PYR  A 401 (-3.8A)
None
None
None
 1.44A 4mf6A-5cm6A:
undetectable		 4mf6A-5cm6A:
27.25
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.
4OAD_A_CLMA205_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		5 / 12 PRO A 199
ARG A 179
ALA A 184
GLY A 185
LEU A 188
 None
PYR  A 402 (-2.8A)
None
None
None
 1.42A 4oadA-4petA:
undetectable		 4oadA-4petA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OAD_A_CLMA205_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Pseudoalteromona
s
atlantica) 		5 / 12 PRO A 193
ARG A 173
ALA A 178
GLY A 179
LEU A 182
 None
PYR  A 401 (-2.9A)
None
None
None
 1.43A 4oadA-5cm6A:
undetectable		 4oadA-5cm6A:
17.32
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.
4PFJ_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA
(Methylobacillus
flagellatus) 		5 / 12 LEU C  81
THR C 142
GLU C  44
ASP C 227
HIS C 201
 PYR  C2001 (-4.7A)
None
None
None
None
 1.29A 4pfjA-5ks8C:
undetectable		 4pfjA-5ks8C:
21.98
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.
4QTU_D_SAMD301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE
(Desulfovibrio
africanus) 		4 / 5 GLN A  88
LEU A 121
ASP A 126
ASP A 328
 None
PYR  A2239 ( 4.7A)
None
None
 1.23A 4qtuD-2c3oA:
2.5		 4qtuD-2c3oA:
10.48
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.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		5 / 10 TYR A 102
LEU A 246
LEU A  38
ALA A  57
GLY A  50
 PYR  A 402 (-4.4A)
PYR  A 402 ( 4.6A)
None
None
None
 1.47A 4rn6A-4petA:
undetectable		 4rn6A-4petA:
20.72
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.
4S0V_A_SUVA2001_1
(HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE)		 4jx6 PYRUVATE CARBOXYLASE
(Rhizobium
etli) 		5 / 12 THR A 882
VAL A 881
THR A 588
VAL A 591
GLU A 582
 PYR  A1101 (-4.4A)
None
None
None
None
 1.31A 4s0vA-4jx6A:
undetectable		 4s0vA-4jx6A:
21.57
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.
4WCX_C_SAMC503_0
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		 4oe7 PROBABLE
2-KETO-3-DEOXY-GALAC
TONATE ALDOLASE YAGE
(Escherichia
coli) 		5 / 12 GLY A  57
GLU A  59
LEU A 299
LEU A 303
ALA A 226
 PYR  A 410 ( 3.4A)
None
None
None
None
 1.08A 4wcxC-4oe7A:
12.3		 4wcxC-4oe7A:
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.
4X3U_B_SVRB102_1
(CHROMOBOX PROTEIN
HOMOLOG 7)		 2r94 2-KETO-3-DEOXY-(6-PH
OSPHO-)GLUCONATE
ALDOLASE
(Thermoproteus
tenax) 		3 / 3 LYS A 173
ARG A  86
VAL A  87
 PYR  A 999 (-1.5A)
None
None
 1.04A 4x3uA-2r94A:
undetectable
4x3uB-2r94A:
undetectable		 4x3uA-2r94A:
12.93
4x3uB-2r94A:
12.93
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.
4XI3_B_29SB601_2
(ESTROGEN RECEPTOR)		 1igw ISOCITRATE LYASE
(Escherichia
coli) 		4 / 5 LEU A 229
MET A 175
LEU A 171
HIS A 184
 None
None
None
PYR  A1444 (-4.5A)
 1.37A 4xi3B-1igwA:
0.0		 4xi3B-1igwA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 3oyz MALATE SYNTHASE
(Haloferax
volcanii) 		5 / 12 GLU A 190
GLY A 189
TYR A 232
ILE A 157
SER A 159
 None
PYR  A 435 (-3.2A)
None
None
None
 1.45A 4xudA-3oyzA:
undetectable		 4xudA-3oyzA:
19.72
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.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)		 2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE
(Desulfovibrio
africanus) 		5 / 12 PHE A 124
PRO A  32
THR A  31
ARG A 114
GLY A 839
 None
None
PYR  A2239 (-3.6A)
PYR  A2239 (-3.0A)
TPP  A2236 (-3.3A)
 1.17A 4ydqB-2c3oA:
2.1		 4ydqB-2c3oA:
17.70
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.
4ZJQ_D_ERYD1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		5 / 12 MET A 249
ILE A  84
ARG A 179
GLU A 216
GLU A 241
 None
None
PYR  A 402 (-2.8A)
CA  A 403 ( 2.1A)
CA  A 403 ( 2.5A)
 1.38A 4zjqD-4petA:
undetectable		 4zjqD-4petA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJQ_D_ERYD1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Pseudoalteromona
s
atlantica) 		5 / 12 MET A 243
ILE A  78
ARG A 173
GLU A 210
GLU A 235
 None
None
PYR  A 401 (-2.9A)
NA  A 402 ( 3.2A)
NA  A 402 ( 2.5A)
 1.34A 4zjqD-5cm6A:
undetectable		 4zjqD-5cm6A:
15.96
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.
5CVT_B_ACTB200_0
(N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
MUTASE)		 4zbt ACETOACETATE
DECARBOXYLASE
(Streptomyces
bingchenggensis) 		3 / 3 ASN A 108
ALA A 110
ARG A 114
 None
None
PYR  A 301 (-3.7A)
 0.46A 5cvtB-4zbtA:
undetectable		 5cvtB-4zbtA:
23.51
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 1w3i 2-KETO-3-DEOXY
GLUCONATE ALDOLASE
(Sulfolobus
solfataricus) 		5 / 11 THR A  43
TYR A 132
GLY A 179
TYR A 130
ALA A 198
 PYR  A1295 (-4.2A)
None
PYR  A1295 ( 4.6A)
PYR  A1295 (-4.2A)
PYR  A1295 ( 4.8A)
 1.29A 5e3iB-1w3iA:
undetectable		 5e3iB-1w3iA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 2r94 2-KETO-3-DEOXY-(6-PH
OSPHO-)GLUCONATE
ALDOLASE
(Thermoproteus
tenax) 		5 / 11 THR A  61
ARG A 255
TYR A 150
GLY A 197
TYR A 148
 PYR  A 999 (-4.3A)
None
None
PYR  A 999 (-4.6A)
PYR  A 999 (-4.5A)
 1.31A 5e3iB-2r94A:
undetectable		 5e3iB-2r94A:
22.25
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.
5E4D_B_BEZB201_0
(HYDROXYNITRILE LYASE)		 1uhd ASPARTATE
1-DECARBOXYLASE
ALPHA CHAIN
(Helicobacter
pylori) 		5 / 11 VAL A 105
VAL A 107
ILE A  26
ILE A  68
LEU A  32
 None
None
PYR  A  25 (-4.1A)
None
None
 1.10A 5e4dB-1uhdA:
undetectable		 5e4dB-1uhdA:
19.62
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.
5FLC_C_RAPC999_1
(SERINE/THREONINE-PRO
TEIN KINASE MTOR
FKBP)		 5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT
2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
BETA SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 8 GLU A 292
GLY B  91
THR A 257
TYR A 253
 None
TPP  B 402 (-3.4A)
PYR  A 701 (-3.0A)
None
 0.96A 5flcB-5b47A:
undetectable		 5flcB-5b47A:
19.71
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.
5FLC_G_RAPG999_1
(SERINE/THREONINE-PRO
TEIN KINASE MTOR
FKBP)		 5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT
2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
BETA SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 8 GLU A 292
GLY B  91
THR A 257
TYR A 253
 None
TPP  B 402 (-3.4A)
PYR  A 701 (-3.0A)
None
 0.96A 5flcF-5b47A:
undetectable		 5flcF-5b47A:
19.71
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.
5HFJ_E_SAME301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 4yj5 PYRUVATE KINASE PKM
(Homo
sapiens) 		5 / 12 ALA A 327
SER A 333
THR A 341
GLU A 364
SER A 362
 PYR  A 601 ( 4.5A)
None
None
None
None
 1.24A 5hfjE-4yj5A:
undetectable		 5hfjE-4yj5A:
17.91
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.
5JW1_B_CELB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2r94 2-KETO-3-DEOXY-(6-PH
OSPHO-)GLUCONATE
ALDOLASE
(Thermoproteus
tenax) 		5 / 12 LEU A  36
ALA A  84
GLY A  60
ALA A  59
LEU A  68
 None
None
PYR  A 999 (-3.0A)
None
None
 1.07A 5jw1B-2r94A:
0.5		 5jw1B-2r94A:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M50_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA
(Methylobacillus
flagellatus) 		5 / 12 LEU C 125
SER C 105
THR C 142
GLY C  48
LEU C  81
 None
None
None
PYR  C2001 (-3.5A)
PYR  C2001 (-4.7A)
 1.33A 5m50E-5ks8C:
undetectable		 5m50E-5ks8C:
22.17
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.
5M5K_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA
(Methylobacillus
flagellatus) 		5 / 12 LEU C  81
THR C 142
GLU C  44
ASP C 227
HIS C 201
 PYR  C2001 (-4.7A)
None
None
None
None
 1.28A 5m5kA-5ks8C:
undetectable		 5m5kA-5ks8C:
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.
5M66_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA
(Methylobacillus
flagellatus) 		5 / 12 LEU C  81
THR C 142
GLU C  44
ASP C 227
HIS C 201
 PYR  C2001 (-4.7A)
None
None
None
None
 1.19A 5m66B-5ks8C:
undetectable		 5m66B-5ks8C:
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.
5MUG_A_VIVA301_1
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		3 / 3 SER A 281
SER A 285
PHE A  49
 None
None
PYR  A 402 (-4.2A)
 0.78A 5mugA-4petA:
undetectable		 5mugA-4petA:
20.99
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.
5N4T_B_BEZB306_0
(BETA-LACTAMASE VIM-2)		 4ew7 CONJUGATIVE
TRANSFER: REGULATION
(Salmonella
enterica) 		3 / 3 HIS A  87
ASN A 108
ALA A  90
 None
None
PYR  A 203 ( 3.9A)
 0.69A 5n4tB-4ew7A:
undetectable		 5n4tB-4ew7A:
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.
5V96_A_ADNA502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA
(Methylobacillus
flagellatus) 		5 / 12 LEU C  81
THR C 142
GLU C  44
ASP C 227
HIS C 201
 PYR  C2001 (-4.7A)
None
None
None
None
 1.25A 5v96A-5ks8C:
undetectable		 5v96A-5ks8C:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V96_B_ADNB502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA
(Methylobacillus
flagellatus) 		5 / 12 LEU C  81
THR C 142
GLU C  44
ASP C 227
HIS C 201
 PYR  C2001 (-4.7A)
None
None
None
None
 1.25A 5v96B-5ks8C:
undetectable		 5v96B-5ks8C:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V96_C_ADNC502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA
(Methylobacillus
flagellatus) 		5 / 12 LEU C  81
THR C 142
GLU C  44
ASP C 227
HIS C 201
 PYR  C2001 (-4.7A)
None
None
None
None
 1.24A 5v96C-5ks8C:
undetectable		 5v96C-5ks8C:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V96_D_ADND502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA
(Methylobacillus
flagellatus) 		5 / 12 LEU C  81
THR C 142
GLU C  44
ASP C 227
HIS C 201
 PYR  C2001 (-4.7A)
None
None
None
None
 1.24A 5v96D-5ks8C:
undetectable		 5v96D-5ks8C:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		3 / 3 ARG A 504
ARG A 469
ARG A 332
 None
PYR  A1601 ( 3.9A)
None
 0.72A 5vcgA-1i7qA:
0.0		 5vcgA-1i7qA:
23.43
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.
5YF0_A_SAMA505_0
(CARNOSINE
N-METHYLTRANSFERASE)		 2o9a ACETATE OPERON
REPRESSOR
(Escherichia
coli) 		5 / 12 GLY A  66
GLY A  68
MET A  62
PHE A 117
THR A 110
 PYR  A 905 (-3.2A)
None
None
None
EDO  A 901 (-4.6A)
 1.37A 5yf0A-2o9aA:
undetectable		 5yf0A-2o9aA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJS_A_SALA603_0
(VICILIN-LIKE
ANTIMICROBIAL
PEPTIDES 2-2)		 4jx6 PYRUVATE CARBOXYLASE
(Rhizobium
etli) 		5 / 11 PHE A 654
ASN A 624
ARG A 621
MET A 618
GLY A 586
 KCX  A 718 ( 4.0A)
None
PYR  A1101 (-4.0A)
None
PYR  A1101 ( 3.9A)
 1.49A 5yjsA-4jx6A:
undetectable		 5yjsA-4jx6A:
6.80
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.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA
(Methylobacillus
flagellatus) 		5 / 12 LEU C  81
THR C 142
GLU C  44
ASP C 227
HIS C 201
 PYR  C2001 (-4.7A)
None
None
None
None
 1.26A 6aphA-5ks8C:
undetectable		 6aphA-5ks8C:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQG_A_ERMA1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		 5lu4 PYRUVATE, PHOSPHATE
DIKINASE,
CHLOROPLASTIC
(Flaveria
trinervia) 		5 / 12 GLY A 557
ALA A 555
SER A 767
GLU A 748
ASN A 771
 None
None
None
MG  A 904 ( 2.7A)
PYR  A 903 (-3.8A)
 1.05A 6bqgA-5lu4A:
undetectable		 6bqgA-5lu4A:
7.62
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.
6C2M_C_SUEC1203_1
(NS3 PROTEASE)		 4yj5 PYRUVATE KINASE PKM
(Homo
sapiens) 		5 / 9 VAL A  71
ILE A 267
LYS A 266
ARG A  73
ASP A 113
 None
None
None
PYR  A 601 ( 4.7A)
MG  A 602 (-3.4A)
 1.27A 6c2mC-4yj5A:
undetectable		 6c2mC-4yj5A:
8.89
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.
6EU9_B_REAB601_1
(RETINOIC ACID
RECEPTOR)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		5 / 10 ARG A 352
VAL A 387
LEU A 390
SER A 391
GLY A 367
 PYR  A 702 ( 3.9A)
None
None
None
PYR  A 702 (-3.9A)
 1.21A 6eu9B-3r75A:
undetectable		 6eu9B-3r75A:
8.99
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.
6FGD_A_ACTA812_0
(GEPHYRIN)		 3oyz MALATE SYNTHASE
(Haloferax
volcanii) 		4 / 6 GLU A  51
ARG A  84
VAL A 191
PRO A 231
 MG  A 500 ( 4.5A)
PYR  A 435 ( 3.2A)
PYR  A 435 (-3.5A)
PYR  A 435 (-4.1A)
 1.27A 6fgdA-3oyzA:
undetectable		 6fgdA-3oyzA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GBN_B_ADNB501_1
(-)		 5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA
(Methylobacillus
flagellatus) 		5 / 12 LEU C  81
THR C 142
GLU C  44
ASP C 227
HIS C 201
 PYR  C2001 (-4.7A)
None
None
None
None
 1.27A 6gbnB-5ks8C:
undetectable		 6gbnB-5ks8C:
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.
6GBN_C_ADNC501_1
(-)		 5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA
(Methylobacillus
flagellatus) 		5 / 12 LEU C  81
THR C 142
GLU C  44
ASP C 227
HIS C 201
 PYR  C2001 (-4.7A)
None
None
None
None
 1.27A 6gbnC-5ks8C:
undetectable		 6gbnC-5ks8C:
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.
6GNF_C_QPSC602_1
(-)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		5 / 10 THR A 244
GLY A 153
LEU A 246
TYR A 101
HIS A  97
 PYR  A 402 ( 4.1A)
None
PYR  A 402 ( 4.6A)
None
None
 1.23A 6gnfC-4petA:
undetectable		 6gnfC-4petA:
20.66
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.
6GNF_C_QPSC602_1
(-)		 5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Pseudoalteromona
s
atlantica) 		5 / 10 THR A 238
GLY A 147
LEU A 240
TYR A  95
HIS A  91
 PYR  A 401 (-3.8A)
None
PYR  A 401 (-4.6A)
PYR  A 401 (-4.6A)
None
 1.26A 6gnfC-5cm6A:
undetectable		 6gnfC-5cm6A:
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.
6GNG_A_QPSA601_1
(-)		 4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7
(Colwellia
psychrerythraea) 		5 / 12 GLY A 185
LEU A 188
THR A 244
GLY A 243
ASN A 316
 None
None
PYR  A 402 ( 4.1A)
None
None
 1.12A 6gngA-4petA:
undetectable		 6gngA-4petA:
19.65
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.
6GTQ_A_ACTA205_0
(N-ACETYLTRANSFERASE)		 2o9a ACETATE OPERON
REPRESSOR
(Escherichia
coli) 		4 / 4 ALA A  67
ALA A 130
ALA A 143
ALA A  29
 PYR  A 905 (-4.0A)
PYR  A 905 ( 4.9A)
None
None
 0.79A 6gtqA-2o9aA:
0.5
6gtqB-2o9aA:
0.2		 6gtqA-2o9aA:
18.23
6gtqB-2o9aA:
18.23
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.
6GTQ_A_ACTA205_0
(N-ACETYLTRANSFERASE)		 2o9a ACETATE OPERON
REPRESSOR
(Escherichia
coli) 		4 / 4 ALA A 143
ALA A  29
ALA A  67
ALA A 130
 None
None
PYR  A 905 (-4.0A)
PYR  A 905 ( 4.9A)
 0.81A 6gtqA-2o9aA:
0.5
6gtqB-2o9aA:
0.2		 6gtqA-2o9aA:
18.23
6gtqB-2o9aA:
18.23
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.
6MB5_A_NMYA301_0
(AAC(3)-IIIB PROTEIN)		 4yj5 PYRUVATE KINASE PKM
(Homo
sapiens) 		5 / 11 ASP A 296
ASN A 273
ASP A 250
GLY A 116
ASP A 225
 PYR  A 601 (-3.5A)
None
None
None
None
 1.32A 6mb5A-4yj5A:
undetectable		 6mb5A-4yj5A:
10.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_A_DCFA401_1
(ADENOSINE DEAMINASE)		 3h3j L-LACTATE
DEHYDROGENASE 1
(Staphylococcus
aureus) 		4 / 4 HIS A 179
LEU A 120
TYR A  21
GLY A 239
 PYR  A 501 ( 3.9A)
None
None
None
 1.24A 6n91A-3h3jA:
undetectable		 6n91A-3h3jA:
15.34
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.
6N91_B_DCFB401_1
(ADENOSINE DEAMINASE)		 3h3j L-LACTATE
DEHYDROGENASE 1
(Staphylococcus
aureus) 		4 / 4 HIS A 179
LEU A 120
TYR A  21
GLY A 239
 PYR  A 501 ( 3.9A)
None
None
None
 1.24A 6n91B-3h3jA:
undetectable		 6n91B-3h3jA:
15.34
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.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 5lu4 PYRUVATE, PHOSPHATE
DIKINASE,
CHLOROPLASTIC
(Flaveria
trinervia) 		5 / 12 ILE A 815
TYR A 854
LEU A 773
GLY A 769
ALA A 752
 None
None
None
PYR  A 903 (-3.2A)
None
 0.99A 6r2eE-5lu4A:
undetectable		 6r2eE-5lu4A:
16.70
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.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 5lu4 PYRUVATE, PHOSPHATE
DIKINASE,
CHLOROPLASTIC
(Flaveria
trinervia) 		5 / 12 ILE A 815
TYR A 854
LEU A 773
GLY A 769
ALA A 752
 None
None
None
PYR  A 903 (-3.2A)
None
 1.05A 6r2eH-5lu4A:
undetectable		 6r2eH-5lu4A:
16.70