SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'GLN'


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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DTL_A_BEPA206_1
(CARDIAC TROPONIN C)		 4gow CALMODULIN
(Homo
sapiens) 		4 / 8 MET D  36
GLN D  41
PRO D  43
GLU D  47
 MET  D  36 ( 0.0A)
GLN  D  41 ( 0.6A)
PRO  D  43 ( 1.1A)
GLU  D  47 ( 0.5A)
 1.06A 1dtlA-4gowD:
12.2		 1dtlA-4gowD:
53.29
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.
1DY4_A_SNPA437_1
(EXOGLUCANASE 1)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		8 / 12 ALA A 144
TYR A 146
TYR A 170
ASP A 172
GLN A 174
GLU A 196
ASP A 198
GLU A 201
 ALA  A 144 ( 0.0A)
TYR  A 146 ( 1.3A)
TYR  A 170 ( 1.3A)
ASP  A 172 ( 0.5A)
GLN  A 174 ( 0.5A)
GLU  A 196 ( 0.6A)
ASP  A 198 (-0.6A)
GLU  A 201 (-0.5A)
 0.36A 1dy4A-5w0aA:
48.5		 1dy4A-5w0aA:
11.70
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.
1FBM_B_RTLB951_0
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		 2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN
(Bacillus
thuringiensis) 		4 / 4 THR A  95
LEU A 220
LEU A  60
GLN A  56
 THR  A  95 ( 0.8A)
LEU  A 220 ( 0.6A)
LEU  A  60 ( 0.5A)
GLN  A  56 ( 0.6A)
 0.74A 1fbmA-2rciA:
undetectable		 1fbmA-2rciA:
11.50
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.
1FBM_B_RTLB951_3
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		 2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN
(Bacillus
thuringiensis) 		4 / 5 THR A  95
LEU A 220
LEU A  60
GLN A  56
 THR  A  95 ( 0.8A)
LEU  A 220 ( 0.6A)
LEU  A  60 ( 0.5A)
GLN  A  56 ( 0.6A)
 0.74A 1fbmE-2rciA:
undetectable		 1fbmE-2rciA:
11.50
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.
1FFY_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		5 / 12 HIS B  48
GLY B  50
GLY B 198
ASP B 200
GLN B 201
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
GLY  B 198 ( 0.0A)
ASP  B 200 ( 0.6A)
GLN  B 201 ( 0.6A)
 0.59A 1ffyA-4oudB:
5.1		 1ffyA-4oudB:
17.01
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		 5gru DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		6 / 12 TYR H 170
GLN H 223
PHE H 232
ASN L  36
ALA L  97
TRP L 106
 TYR  H 170 ( 1.3A)
GLN  H 223 ( 0.6A)
PHE  H 232 ( 1.3A)
ASN  L  36 ( 0.6A)
ALA  L  97 ( 0.0A)
TRP  L 106 ( 0.5A)
 0.74A 1h8sA-5gruH:
21.4		 1h8sA-5gruH:
29.10
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		 5gru DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		6 / 12 TYR L 157
GLN L 210
PHE L 219
VAL H  37
ALA H  97
TRP H 119
 TYR  L 157 ( 1.3A)
GLN  L 210 ( 0.6A)
PHE  L 219 ( 1.3A)
VAL  H  37 ( 0.6A)
ALA  H  97 ( 0.0A)
TRP  H 119 ( 0.5A)
 0.72A 1h8sA-5gruL:
13.9		 1h8sA-5gruL:
26.82
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.
1HO5_B_ADNB2604_1
(5'-NUCLEOTIDASE)		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		5 / 10 ASN A 432
SER A 154
GLY A 130
ARG A 358
GLY A 131
 None
GLN  A 501 (-2.9A)
GLN  A 501 (-3.2A)
GLN  A 501 (-2.5A)
GLN  A 501 ( 4.5A)
 1.36A 1ho5B-2f2aA:
undetectable		 1ho5B-2f2aA:
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.
1HXB_A_ROCA100_4
(HIV-1 PROTEASE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		4 / 4 GLY A 190
ASP A 150
GLY A 428
THR A 215
 None
GLN  A 501 ( 4.7A)
None
None
 1.07A 1hxbB-4n0iA:
undetectable		 1hxbB-4n0iA:
12.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHO_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		5 / 9 GLY A 328
GLY A 101
PHE A 100
GLU A  99
GLY A 103
 None
None
None
None
GLN  A 501 (-3.8A)
 1.18A 1jhoA-4n0iA:
undetectable		 1jhoA-4n0iA:
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.
1JHR_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		5 / 9 GLY A 328
GLY A 101
PHE A 100
GLU A  99
GLY A 103
 None
None
None
None
GLN  A 501 (-3.8A)
 1.16A 1jhrA-4n0iA:
undetectable		 1jhrA-4n0iA:
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.
1JHY_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		5 / 9 GLY A 328
GLY A 101
PHE A 100
GLU A  99
GLY A 103
 None
None
None
None
GLN  A 501 (-3.8A)
 1.16A 1jhyA-4n0iA:
undetectable		 1jhyA-4n0iA:
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		 4g4p AMINO ACID ABC
TRANSPORTER, AMINO
ACID-BINDING/PERMEAS
E PROTEIN
(Enterococcus
faecalis) 		5 / 12 ALA A 135
GLY A 110
LEU A 113
THR A 139
LEU A 145
 None
None
None
GLN  A 302 (-4.3A)
None
 1.17A 1jipA-4g4pA:
undetectable		 1jipA-4g4pA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JZS_A_MRCA1301_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		7 / 11 GLY B  39
HIS B  48
HIS B  51
GLY B 198
ASP B 200
GLN B 201
ILE B 228
 GLY  B  39 ( 0.0A)
HIS  B  48 ( 1.0A)
HIS  B  51 ( 1.0A)
GLY  B 198 ( 0.0A)
ASP  B 200 ( 0.6A)
GLN  B 201 ( 0.6A)
ILE  B 228 ( 0.7A)
 0.67A 1jzsA-4oudB:
1.1		 1jzsA-4oudB:
19.13
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.
1L4N_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		5 / 9 GLY A 328
GLY A 101
PHE A 100
GLU A  99
GLY A 103
 None
None
None
None
GLN  A 501 (-3.8A)
 1.13A 1l4nA-4n0iA:
undetectable		 1l4nA-4n0iA:
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.
1L5K_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		5 / 9 GLY A 328
GLY A 101
PHE A 100
GLU A  99
GLY A 103
 None
None
None
None
GLN  A 501 (-3.8A)
 1.16A 1l5kA-4n0iA:
undetectable		 1l5kA-4n0iA:
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.
1L5L_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		5 / 9 GLY A 328
GLY A 101
PHE A 100
GLU A  99
GLY A 103
 None
None
None
None
GLN  A 501 (-3.8A)
 1.14A 1l5lA-4n0iA:
undetectable		 1l5lA-4n0iA:
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.
1L5M_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		5 / 9 GLY A 328
GLY A 101
PHE A 100
GLU A  99
GLY A 103
 None
None
None
None
GLN  A 501 (-3.8A)
 1.15A 1l5mA-4n0iA:
undetectable		 1l5mA-4n0iA:
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.
1LIN_A_TFPA155_1
(CALMODULIN)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		4 / 7 GLN A 261
GLU A 193
PHE A 364
ALA A 343
 GLN  A 261 (-0.6A)
GLU  A 193 ( 0.5A)
PHE  A 364 ( 1.3A)
ALA  A 343 ( 0.0A)
 1.36A 1linA-4hneA:
undetectable		 1linA-4hneA:
16.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		7 / 12 PHE A 100
PRO A 102
GLY A 129
GLY A 131
THR A 150
PHE A 180
PRO A 198
 SAM  A 301 ( 3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
None
SAM  A 301 (-3.5A)
GLN  A 400 (-4.9A)
 1.42A 1nv8A-1sg9A:
39.7		 1nv8A-1sg9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		12 / 12 PHE A 100
PRO A 102
THR A 106
ILE A 128
GLY A 129
GLY A 131
THR A 150
VAL A 152
PHE A 180
ASN A 197
PRO A 199
ALA A 218
 SAM  A 301 ( 3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
None
SAM  A 301 (-4.3A)
SAM  A 301 (-3.5A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
SAM  A 301 (-3.3A)
 0.19A 1nv8A-1sg9A:
39.7		 1nv8A-1sg9A:
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		4 / 8 GLU A 293
GLN A 297
HIS A 241
SER A 273
 GLU  A 293 (-0.6A)
GLN  A 297 ( 0.6A)
HIS  A 241 ( 1.0A)
SER  A 273 ( 0.0A)
 1.22A 1nx9A-1rrvA:
3.4		 1nx9A-1rrvA:
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		4 / 8 GLU A 293
GLN A 297
HIS A 241
SER A 273
 GLU  A 293 (-0.6A)
GLN  A 297 ( 0.6A)
HIS  A 241 ( 1.0A)
SER  A 273 ( 0.0A)
 1.24A 1nx9B-1rrvA:
3.3		 1nx9B-1rrvA:
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		4 / 8 GLU A 293
GLN A 297
HIS A 241
SER A 273
 GLU  A 293 (-0.6A)
GLN  A 297 ( 0.6A)
HIS  A 241 ( 1.0A)
SER  A 273 ( 0.0A)
 1.23A 1nx9C-1rrvA:
3.4		 1nx9C-1rrvA:
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		4 / 8 GLU A 293
GLN A 297
HIS A 241
SER A 273
 GLU  A 293 (-0.6A)
GLN  A 297 ( 0.6A)
HIS  A 241 ( 1.0A)
SER  A 273 ( 0.0A)
 1.23A 1nx9D-1rrvA:
3.8		 1nx9D-1rrvA:
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.
1P6K_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		4 / 5 GLY A 379
GLN A 185
VAL A 384
SER A 181
 GLY  A 379 ( 0.0A)
GLN  A 185 ( 0.6A)
VAL  A 384 ( 0.6A)
SER  A 181 ( 0.0A)
 1.40A 1p6kB-4mwtA:
undetectable		 1p6kB-4mwtA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		5 / 11 SER A 154
GLY A 148
VAL A 189
SER A 131
ILE A  55
 GLN  A 501 (-1.2A)
None
None
None
None
 1.13A 1pk9C-4n0iA:
undetectable		 1pk9C-4n0iA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QU2_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		5 / 12 GLY B  50
HIS B  48
GLY B 198
ASP B 200
GLN B 201
 GLY  B  50 ( 0.0A)
HIS  B  48 ( 1.0A)
GLY  B 198 ( 0.0A)
ASP  B 200 ( 0.6A)
GLN  B 201 ( 0.6A)
 1.02A 1qu2A-4oudB:
5.1		 1qu2A-4oudB:
17.01
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.
1QU2_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		6 / 12 HIS B  48
GLY B  50
HIS B  51
GLY B 198
ASP B 200
GLN B 201
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
HIS  B  51 ( 1.0A)
GLY  B 198 ( 0.0A)
ASP  B 200 ( 0.6A)
GLN  B 201 ( 0.6A)
 0.82A 1qu2A-4oudB:
5.1		 1qu2A-4oudB:
17.01
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.
1QU3_A_MRCA993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		5 / 12 HIS B  48
GLY B  50
HIS B  51
ASP B 200
GLN B 201
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
HIS  B  51 ( 1.0A)
ASP  B 200 ( 0.6A)
GLN  B 201 ( 0.6A)
 0.88A 1qu3A-4oudB:
undetectable		 1qu3A-4oudB:
17.01
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.
1QZZ_A_ACTA421_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		4 / 8 ASP A 125
GLY A 130
GLY A 153
GLY A 152
 None
GLN  A 501 (-3.2A)
None
None
 0.59A 1qzzA-2f2aA:
undetectable		 1qzzA-2f2aA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS6_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		4 / 5 GLY A 379
GLN A 185
VAL A 384
SER A 181
 GLY  A 379 ( 0.0A)
GLN  A 185 ( 0.6A)
VAL  A 384 ( 0.6A)
SER  A 181 ( 0.0A)
 1.42A 1rs6B-4mwtA:
undetectable		 1rs6B-4mwtA:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SG9_A_SAMA301_0
(HEMK PROTEIN)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		6 / 12 PHE A 100
PRO A 102
GLY A 131
THR A 150
PHE A 180
PRO A 198
 SAM  A 301 ( 3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.8A)
None
SAM  A 301 (-3.5A)
GLN  A 400 (-4.9A)
 1.45A 1sg9A-1sg9A:
46.2		 1sg9A-1sg9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SG9_A_SAMA301_0
(HEMK PROTEIN)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		12 / 12 PHE A 100
PRO A 102
ILE A 128
GLY A 131
ILE A 135
THR A 150
VAL A 152
SER A 153
GLU A 179
PHE A 180
ASN A 197
PRO A 199
 SAM  A 301 ( 3.4A)
SAM  A 301 (-3.6A)
None
SAM  A 301 ( 3.8A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-4.3A)
None
None
SAM  A 301 (-3.5A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
 0.05A 1sg9A-1sg9A:
46.2		 1sg9A-1sg9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SG9_B_SAMB302_1
(HEMK PROTEIN)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		3 / 3 ASP A 151
PHE A 180
ASN A 197
 SAM  A 301 (-2.9A)
SAM  A 301 (-3.5A)
GLN  A 400 ( 3.1A)
 0.10A 1sg9B-1sg9A:
43.8		 1sg9B-1sg9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SG9_C_SAMC303_0
(HEMK PROTEIN)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		12 / 12 PHE A 100
PRO A 102
ILE A 128
GLY A 131
ALA A 134
VAL A 152
SER A 153
GLU A 179
PHE A 180
ASN A 197
PRO A 199
ALA A 218
 SAM  A 301 ( 3.4A)
SAM  A 301 (-3.6A)
None
SAM  A 301 ( 3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-4.3A)
None
None
SAM  A 301 (-3.5A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
SAM  A 301 (-3.3A)
 0.15A 1sg9C-1sg9A:
43.7		 1sg9C-1sg9A:
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 7 GLN A 140
ALA A 117
PHE A 130
ARG A 145
 GLN  A 140 ( 0.6A)
ALA  A 117 ( 0.0A)
PHE  A 130 ( 1.3A)
ARG  A 145 ( 0.6A)
 1.22A 1t9wA-1omoA:
undetectable		 1t9wA-1omoA:
15.54
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.
1TBF_A_VIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 4rhy HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE
(Mycobacterium
tuberculosis) 		5 / 9 LEU A 152
LEU A  28
ALA A  38
LEU A  75
GLN A  34
 LEU  A 152 ( 0.6A)
LEU  A  28 ( 0.6A)
ALA  A  38 ( 0.0A)
LEU  A  75 ( 0.6A)
GLN  A  34 ( 0.6A)
 1.25A 1tbfA-4rhyA:
undetectable		 1tbfA-4rhyA:
20.47
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.
1UHO_A_VDNA1000_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		6 / 10 TYR A 159
HIS A 160
PHE A 340
GLN A 369
GLY A 371
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
PHE  A 340 (-1.3A)
GLN  A 369 (-0.6A)
GLY  A 371 ( 0.0A)
PHE  A 372 (-1.3A)
 0.37A 1uhoA-3sl5A:
36.4		 1uhoA-3sl5A:
28.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VQ1_A_SAMA301_1
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		3 / 3 GLY A 129
ASP A 151
ASN A 197
 SAM  A 301 (-3.3A)
SAM  A 301 (-2.9A)
GLN  A 400 ( 3.1A)
 0.10A 1vq1A-1sg9A:
39.6		 1vq1A-1sg9A:
95.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_B_SAMB3141_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2ixq PROTEIN AFAD
(Escherichia
coli) 		5 / 12 PRO A  86
GLY A  68
GLY A  69
GLY A  71
GLN A  44
 PRO  A  86 ( 1.0A)
GLY  A  68 ( 0.0A)
GLY  A  69 ( 0.0A)
GLY  A  71 ( 0.0A)
GLN  A  44 ( 0.6A)
 1.04A 1wg8B-2ixqA:
undetectable		 1wg8B-2ixqA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRL_C_TFPC208_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		4 / 5 PHE A 351
LEU A  96
MET A 129
SER A 154
 None
None
None
GLN  A 501 (-2.9A)
 1.06A 1wrlC-2f2aA:
undetectable		 1wrlC-2f2aA:
12.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XLX_A_CIOA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 12 HIS A 315
LEU A 399
THR A 333
SER A 368
GLN A 369
 HIS  A 315 ( 1.0A)
LEU  A 399 ( 0.6A)
THR  A 333 ( 0.8A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
 1.31A 1xlxA-3sl5A:
51.0		 1xlxA-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XLX_A_CIOA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
HIS A 204
MET A 273
LEU A 319
ASN A 321
THR A 333
ILE A 336
MET A 337
SER A 368
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
HIS  A 204 ( 1.0A)
MET  A 273 (-0.0A)
LEU  A 319 ( 0.6A)
ASN  A 321 (-0.6A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.54A 1xlxA-3sl5A:
51.0		 1xlxA-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XLX_B_CIOB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		11 / 12 TYR A 159
HIS A 160
HIS A 204
MET A 273
THR A 333
ILE A 336
MET A 337
PHE A 340
MET A 357
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
HIS  A 204 ( 1.0A)
MET  A 273 (-0.0A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.54A 1xlxB-3sl5A:
51.1		 1xlxB-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_A_ROFA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 5 MET A 273
ASN A 321
THR A 333
MET A 337
GLN A 369
 MET  A 273 (-0.0A)
ASN  A 321 (-0.6A)
THR  A 333 ( 0.8A)
MET  A 337 ( 0.0A)
GLN  A 369 (-0.6A)
 0.26A 1xmuA-3sl5A:
51.4		 1xmuA-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 5 ASN A 321
THR A 333
MET A 337
GLN A 369
PHE A 372
 ASN  A 321 (-0.6A)
THR  A 333 ( 0.8A)
MET  A 337 ( 0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.51A 1xmuB-3sl5A:
51.1		 1xmuB-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOM_A_CIOA603_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
ILE A 336
MET A 337
PHE A 340
MET A 357
SER A 368
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.57A 1xomA-3sl5A:
53.0		 1xomA-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOM_B_CIOB601_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
MET A 273
LEU A 319
THR A 333
ILE A 336
MET A 337
PHE A 340
MET A 357
SER A 368
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
LEU  A 319 ( 0.6A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.59A 1xomB-3sl5A:
52.8		 1xomB-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_A_ROFA502_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		3 / 3 ASN A 321
TRP A 332
GLN A 369
 ASN  A 321 (-0.6A)
TRP  A 332 ( 0.5A)
GLN  A 369 (-0.6A)
 0.25A 1xoqA-3sl5A:
53.5		 1xoqA-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		3 / 3 MET A 273
ASN A 321
GLN A 369
 MET  A 273 (-0.0A)
ASN  A 321 (-0.6A)
GLN  A 369 (-0.6A)
 0.31A 1xoqB-3sl5A:
53.4		 1xoqB-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		11 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
MET A 337
PHE A 340
MET A 357
GLN A 369
PHE A 372
ILE A 376
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
MET  A 337 ( 0.0A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
ILE  A 376 (-0.6A)
 0.48A 1xosA-3sl5A:
51.3		 1xosA-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		10 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
MET A 337
PHE A 340
SER A 355
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
MET  A 337 ( 0.0A)
PHE  A 340 (-1.3A)
SER  A 355 ( 0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 1.02A 1xosA-3sl5A:
51.3		 1xosA-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOT_A_VDNA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
MET A 273
LEU A 319
ILE A 336
MET A 337
SER A 355
MET A 357
SER A 368
GLN A 369
PHE A 372
ILE A 376
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
LEU  A 319 ( 0.6A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
SER  A 355 ( 0.0A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
ILE  A 376 (-0.6A)
 0.74A 1xotA-3sl5A:
50.9		 1xotA-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOT_B_VDNB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		11 / 12 TYR A 159
HIS A 160
MET A 273
LEU A 319
ASN A 321
ILE A 336
MET A 337
SER A 355
MET A 357
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
LEU  A 319 ( 0.6A)
ASN  A 321 (-0.6A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
SER  A 355 ( 0.0A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.59A 1xotB-3sl5A:
50.9		 1xotB-3sl5A:
84.81
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.
1ZZQ_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		4 / 5 GLY A 379
GLN A 185
VAL A 384
SER A 181
 GLY  A 379 ( 0.0A)
GLN  A 185 ( 0.6A)
VAL  A 384 ( 0.6A)
SER  A 181 ( 0.0A)
 1.41A 1zzqB-4mwtA:
undetectable		 1zzqB-4mwtA:
20.86
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.
1ZZU_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		4 / 5 GLY A 379
GLN A 185
VAL A 384
SER A 181
 GLY  A 379 ( 0.0A)
GLN  A 185 ( 0.6A)
VAL  A 384 ( 0.6A)
SER  A 181 ( 0.0A)
 1.42A 1zzuB-4mwtA:
undetectable		 1zzuB-4mwtA:
20.86
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.
2A8T_B_ADNB252_1
(U8 SNORNA-BINDING
PROTEIN X29)		 4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT
(Bacillus
anthracis) 		4 / 8 GLY A  17
ASN A  42
SER A  43
GLN A  47
 GLY  A  17 ( 0.0A)
ASN  A  42 ( 0.6A)
SER  A  43 ( 0.0A)
GLN  A  47 (-0.6A)
 0.93A 2a8tB-4dlkA:
undetectable		 2a8tB-4dlkA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXK_A_IMNA2001_1
(SERUM ALBUMIN)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		4 / 8 PHE A 365
ALA A 427
LEU A 361
ASP A 150
 None
None
None
GLN  A 501 ( 4.7A)
 1.14A 2bxkA-4n0iA:
undetectable		 2bxkA-4n0iA:
21.74
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.
2DR2_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 11 GLY L 109
THR L  93
GLN L  40
GLN H 172
PHE H 221
 GLY  L 109 ( 0.0A)
THR  L  93 ( 0.8A)
GLN  L  40 ( 0.6A)
GLN  H 172 ( 0.6A)
PHE  H 221 ( 1.3A)
 1.38A 2dr2A-5gruL:
undetectable		 2dr2A-5gruL:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G72_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		4 / 6 TYR A 286
GLY A 103
TYR A 285
ASP A  98
 None
GLN  A 501 (-3.8A)
GLN  A 501 (-4.3A)
None
 1.23A 2g72A-4n0iA:
undetectable		 2g72A-4n0iA:
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		3 / 3 ASN A 341
TYR A 415
SER A 289
 None
None
GLN  A 501 ( 4.3A)
 0.41A 2gvcB-4n0iA:
undetectable		 2gvcB-4n0iA:
23.19
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.
2GVC_E_MMZE501_1
(MONOOXYGENASE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		3 / 3 ASN A 341
TYR A 415
SER A 289
 None
None
GLN  A 501 ( 4.3A)
 0.42A 2gvcE-4n0iA:
undetectable		 2gvcE-4n0iA:
23.19
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.
2H42_A_VIAA901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 11 TYR A 159
HIS A 160
PHE A 340
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
PHE  A 340 (-1.3A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.50A 2h42A-3sl5A:
36.2		 2h42A-3sl5A:
29.28
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.
2H42_C_VIAC903_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 12 TYR A 159
LEU A 319
PHE A 340
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
LEU  A 319 ( 0.6A)
PHE  A 340 (-1.3A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.43A 2h42C-3sl5A:
35.9		 2h42C-3sl5A:
29.28
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.
2HKK_A_ALEA300_1
(CARBONIC ANHYDRASE 2)		 3r6y ASPARTASE
(Bacillus
sp.
YM55-1) 		4 / 6 ASN A 368
ILE A 375
GLN A 371
THR A  37
 ASN  A 368 ( 0.6A)
ILE  A 375 ( 0.7A)
GLN  A 371 ( 0.6A)
THR  A  37 ( 0.8A)
 1.26A 2hkkA-3r6yA:
undetectable		 2hkkA-3r6yA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HKK_A_ALEA300_1
(CARBONIC ANHYDRASE 2)		 4ikn AP-3 COMPLEX SUBUNIT
MU-1
(Rattus
norvegicus) 		4 / 6 HIS A 313
ASN A 374
ILE A 190
GLN A 415
 HIS  A 313 ( 1.0A)
ASN  A 374 ( 0.6A)
ILE  A 190 ( 0.7A)
GLN  A 415 ( 0.6A)
 1.16A 2hkkA-4iknA:
undetectable		 2hkkA-4iknA:
22.55
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.
2HW2_A_RFPA1200_1
(RIFAMPIN ADP-RIBOSYL
TRANSFERASE)		 6gct NEUTRAL AMINO ACID
TRANSPORTER B(0)
(Homo
sapiens) 		5 / 12 ALA A 429
GLY A 434
THR A 384
MET A 267
LEU A 107
 GLN  A 601 (-4.5A)
GLN  A 601 ( 4.8A)
None
None
None
 1.08A 2hw2A-6gctA:
undetectable		 2hw2A-6gctA:
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.
2J0D_A_ERYA1498_0
(CYTOCHROME P450 3A4)		 6gct NEUTRAL AMINO ACID
TRANSPORTER B(0)
(Homo
sapiens) 		5 / 12 SER A 424
ILE A 442
PHE A 393
ALA A 390
ALA A 142
 None
None
None
GLN  A 601 ( 4.1A)
None
 1.15A 2j0dA-6gctA:
undetectable		 2j0dA-6gctA:
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.
2JN3_A_JN3A131_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		4 / 6 LEU A 313
ASN A 319
GLN A 270
PHE A 281
 LEU  A 313 ( 0.5A)
ASN  A 319 ( 0.6A)
GLN  A 270 ( 0.6A)
PHE  A 281 ( 1.3A)
 1.21A 2jn3A-3gnrA:
undetectable		 2jn3A-3gnrA:
13.78
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.
2NV4_A_SAMA201_0
(UPF0066 PROTEIN
AF_0241)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		5 / 12 ALA A 350
GLN A 426
ASP A 182
PRO A 356
LEU A 184
 ALA  A 350 ( 0.0A)
GLN  A 426 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 356 ( 1.1A)
LEU  A 184 ( 0.6A)
 1.32A 2nv4A-4hneA:
undetectable		 2nv4A-4hneA:
19.95
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.
2NXE_A_SAMA302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		5 / 12 PHE A 100
ASP A 127
GLY A 129
GLY A 131
ASN A 197
 SAM  A 301 ( 3.4A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
GLN  A 400 ( 3.1A)
 0.34A 2nxeA-1sg9A:
16.5		 2nxeA-1sg9A:
25.51
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.
2NXE_B_SAMB303_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		5 / 12 PHE A 100
ASP A 127
GLY A 129
GLY A 131
ASN A 197
 SAM  A 301 ( 3.4A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
GLN  A 400 ( 3.1A)
 0.39A 2nxeB-1sg9A:
16.7		 2nxeB-1sg9A:
25.51
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.
2OKC_B_SAMB500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 4zef AMINO ACID ABC
TRANSPORTER AMINO
ACID-BINDING/PERMEAS
E
(Enterococcus
faecalis) 		4 / 6 THR A 328
ARG A 333
ASP A 416
THR A 399
 GLN  A 501 (-4.1A)
GLN  A 501 (-2.9A)
GLN  A 501 ( 4.9A)
None
 1.15A 2okcB-4zefA:
undetectable		 2okcB-4zefA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2P16_A_GG2A298_2
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		 5l5n PLEXIN-A4
(Mus
musculus) 		3 / 3 ARG A 365
GLU A 416
GLN A 361
 ARG  A 365 ( 0.6A)
GLU  A 416 ( 0.5A)
GLN  A 361 ( 0.6A)
 0.82A 2p16A-5l5nA:
undetectable		 2p16A-5l5nA:
11.17
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.
2QQC_E_AG2E671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 1ixl HYPOTHETICAL PROTEIN
PH1136
(Pyrococcus
horikoshii) 		4 / 7 GLN A   6
LEU A  61
LEU A  54
GLY A  53
 GLN  A   6 ( 0.6A)
LEU  A  61 ( 0.6A)
LEU  A  54 ( 0.6A)
GLY  A  53 ( 0.0A)
 0.91A 2qqcD-1ixlA:
0.0
2qqcE-1ixlA:
undetectable		 2qqcD-1ixlA:
20.59
2qqcE-1ixlA:
12.21
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.
2W3B_B_FOLB401_1
(DIHYDROFOLATE
REDUCTASE)		 5wo6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6
(Rattus
norvegicus) 		3 / 3 GLU A 249
GLN A 305
ARG A 304
 GLU  A 249 ( 0.6A)
GLN  A 305 ( 0.6A)
ARG  A 304 ( 0.6A)
 0.79A 2w3bB-5wo6A:
undetectable		 2w3bB-5wo6A:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_B_P1ZB1358_1
(PROSTAGLANDIN
REDUCTASE 2)		 4g4p AMINO ACID ABC
TRANSPORTER, AMINO
ACID-BINDING/PERMEAS
E PROTEIN
(Enterococcus
faecalis) 		4 / 6 ASP A 108
TYR A 181
TYR A 206
LEU A 111
 None
None
GLN  A 302 (-4.8A)
None
 1.15A 2w98A-4g4pA:
undetectable
2w98B-4g4pA:
undetectable		 2w98A-4g4pA:
20.86
2w98B-4g4pA:
20.86
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.
2WEY_A_EV1A1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		8 / 12 TYR A 159
HIS A 160
LEU A 319
ILE A 336
GLU A 339
MET A 357
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
LEU  A 319 ( 0.6A)
ILE  A 336 ( 0.4A)
GLU  A 339 ( 0.5A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 1.01A 2weyA-3sl5A:
37.9		 2weyA-3sl5A:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEY_A_EV1A1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		8 / 12 TYR A 159
HIS A 160
LEU A 319
ILE A 336
GLU A 339
PHE A 340
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
LEU  A 319 ( 0.6A)
ILE  A 336 ( 0.4A)
GLU  A 339 ( 0.5A)
PHE  A 340 (-1.3A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.83A 2weyA-3sl5A:
37.9		 2weyA-3sl5A:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEY_B_EV1B1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		4 / 8 ILE A 336
MET A 357
GLN A 369
PHE A 372
 ILE  A 336 ( 0.4A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.86A 2weyB-3sl5A:
37.4		 2weyB-3sl5A:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEY_B_EV1B1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		4 / 8 ILE A 336
PHE A 340
GLN A 369
PHE A 372
 ILE  A 336 ( 0.4A)
PHE  A 340 (-1.3A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.54A 2weyB-3sl5A:
37.4		 2weyB-3sl5A:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XNR_A_ACTA1001_0
(NUCLEAR
POLYADENYLATED
RNA-BINDING PROTEIN
3)		 5wm9 RV0078
(Mycobacterium
tuberculosis) 		3 / 3 SER A  12
ARG A  11
GLN A   8
 SER  A  12 ( 0.0A)
ARG  A  11 (-0.6A)
GLN  A   8 ( 0.6A)
 0.98A 2xnrA-5wm9A:
undetectable		 2xnrA-5wm9A:
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.
2YA7_C_ZMRC1776_2
(NEURAMINIDASE A)		 1l4a S-SNAP25 FUSION
PROTEIN
S-SYNTAXIN
SYNAPTOBREVIN
(Doryteuthis
pealeii) 		4 / 6 ASP A  73
ILE A  69
GLN C  56
GLU B 231
 ASP  A  73 ( 0.6A)
ILE  A  69 ( 0.7A)
GLN  C  56 ( 0.6A)
GLU  B 231 ( 0.5A)
 1.42A 2ya7C-1l4aA:
undetectable		 2ya7C-1l4aA:
9.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.09A 2zj0A-2nvvA:
2.5		 2zj0A-2nvvA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 0.99A 2zj0B-2nvvA:
2.2		 2zj0B-2nvvA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.04A 2zj0C-2nvvA:
undetectable		 2zj0C-2nvvA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZUL_A_SAMA376_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		5 / 12 PHE A 100
ALA A 134
ASN A 197
PRO A 199
PHE A 228
 SAM  A 301 ( 3.4A)
SAM  A 301 ( 4.0A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
None
 1.06A 2zulA-1sg9A:
18.5		 2zulA-1sg9A:
23.35
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.
2ZUL_A_SAMA376_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		6 / 12 PHE A 100
GLY A 129
GLY A 131
ALA A 134
ASN A 197
PRO A 199
 SAM  A 301 ( 3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
SAM  A 301 ( 4.0A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
 0.49A 2zulA-1sg9A:
18.5		 2zulA-1sg9A:
23.35
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.
2ZW9_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		5 / 12 SER A 154
GLY A 101
ASP A  98
ASN A 341
TYR A 285
 GLN  A 501 (-1.2A)
None
None
None
GLN  A 501 (-4.3A)
 1.18A 2zw9A-4n0iA:
undetectable		 2zw9A-4n0iA:
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.
3AI8_B_HNQB255_1
(CATHEPSIN B)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		4 / 6 GLN A 330
GLY A 705
HIS A 350
TRP A 328
 GLN  A 330 ( 0.6A)
GLY  A 705 ( 0.0A)
HIS  A 350 ( 1.0A)
TRP  A 328 ( 0.5A)
 1.46A 3ai8B-1v0fA:
undetectable		 3ai8B-1v0fA:
17.52
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.
3B2R_A_VDNA1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		6 / 12 TYR A 159
HIS A 160
LEU A 319
PHE A 340
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
LEU  A 319 ( 0.6A)
PHE  A 340 (-1.3A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.55A 3b2rA-3sl5A:
31.7		 3b2rA-3sl5A:
29.28
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.
3B2R_B_VDNB1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 11 TYR A 159
HIS A 160
LEU A 319
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
LEU  A 319 ( 0.6A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.45A 3b2rB-3sl5A:
31.6		 3b2rB-3sl5A:
29.28
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.
3BJW_B_SVRB512_2
(PHOSPHOLIPASE A2)		 2j5b TYROSYL-TRNA
SYNTHETASE
(Acanthamoeba
polyphaga
mimivirus) 		4 / 7 ILE A  30
GLN A  64
GLY A  62
LEU A   8
 ILE  A  30 ( 0.7A)
GLN  A  64 ( 0.6A)
GLY  A  62 ( 0.0A)
LEU  A   8 ( 0.6A)
 0.88A 3bjwB-2j5bA:
undetectable		 3bjwB-2j5bA:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_H_SVRH511_3
(PHOSPHOLIPASE A2)		 2j5b TYROSYL-TRNA
SYNTHETASE
(Acanthamoeba
polyphaga
mimivirus) 		4 / 7 ILE A  30
GLN A  64
GLY A  62
LEU A   8
 ILE  A  30 ( 0.7A)
GLN  A  64 ( 0.6A)
GLY  A  62 ( 0.0A)
LEU  A   8 ( 0.6A)
 0.92A 3bjwH-2j5bA:
undetectable		 3bjwH-2j5bA:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BSZ_E_RTLE177_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE
(Saccharomyces
cerevisiae) 		5 / 11 LEU A 293
ALA A 244
LEU A 278
HIS A 269
GLN A 267
 LEU  A 293 ( 0.5A)
ALA  A 244 ( 0.0A)
LEU  A 278 ( 0.5A)
HIS  A 269 ( 1.0A)
GLN  A 267 ( 0.6A)
 1.30A 3bszE-4g9kA:
undetectable		 3bszE-4g9kA:
16.77
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.
3CE6_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.10A 3ce6A-2nvvA:
2.6		 3ce6A-2nvvA:
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.
3CE6_B_ADNB500_2
(ADENOSYLHOMOCYSTEINA
SE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.09A 3ce6B-2nvvA:
undetectable		 3ce6B-2nvvA:
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.
3CE6_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.11A 3ce6C-2nvvA:
undetectable		 3ce6C-2nvvA:
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.
3CE6_D_ADND500_2
(ADENOSYLHOMOCYSTEINA
SE)		 5e37 EF-HAND
DOMAIN-CONTAINING
THIOREDOXIN
(Chlamydomonas
reinhardtii) 		4 / 5 LEU A 264
GLN A 271
THR A 272
LEU A 220
 LEU  A 264 ( 0.5A)
GLN  A 271 ( 0.6A)
THR  A 272 ( 0.8A)
LEU  A 220 ( 0.6A)
 1.21A 3ce6D-5e37A:
undetectable		 3ce6D-5e37A:
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.
3DDY_A_RBFA187_1
(LUMAZINE PROTEIN)		 6cgu CADHERIN-6
(Mus
musculus) 		5 / 12 THR A 198
ILE A 148
GLN A 150
ASN A 202
ILE A 203
 THR  A 198 ( 0.8A)
ILE  A 148 ( 0.6A)
GLN  A 150 ( 0.6A)
ASN  A 202 ( 0.6A)
ILE  A 203 ( 0.7A)
 1.10A 3ddyA-6cguA:
undetectable		 3ddyA-6cguA:
21.05
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.
3DH0_B_SAMB300_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 GLY A 132
GLY A 134
GLN A 136
ALA A 155
LEU A 191
 GLY  A 132 ( 0.0A)
GLY  A 134 (-0.0A)
GLN  A 136 (-0.6A)
ALA  A 155 ( 0.0A)
LEU  A 191 ( 0.6A)
 1.10A 3dh0B-1omoA:
5.5		 3dh0B-1omoA:
21.15
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.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		5 / 12 PHE A 100
ALA A 134
ASN A 197
PRO A 199
PHE A 228
 SAM  A 301 ( 3.4A)
SAM  A 301 ( 4.0A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
None
 1.03A 3dmfA-1sg9A:
18.5		 3dmfA-1sg9A:
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.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		6 / 12 PHE A 100
GLY A 129
GLY A 131
ALA A 134
ASN A 197
PRO A 199
 SAM  A 301 ( 3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
SAM  A 301 ( 4.0A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
 0.48A 3dmfA-1sg9A:
18.5		 3dmfA-1sg9A:
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.
3DMH_A_SAMA384_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		5 / 12 PHE A 100
ALA A 134
ASN A 197
PRO A 199
PHE A 228
 SAM  A 301 ( 3.4A)
SAM  A 301 ( 4.0A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
None
 1.00A 3dmhA-1sg9A:
12.8		 3dmhA-1sg9A:
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.
3DMH_A_SAMA384_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		6 / 12 PHE A 100
GLY A 129
GLY A 131
ALA A 134
ASN A 197
PRO A 199
 SAM  A 301 ( 3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
SAM  A 301 ( 4.0A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
 0.45A 3dmhA-1sg9A:
12.8		 3dmhA-1sg9A:
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.
3DZY_D_BRLD478_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		4 / 4 ILE A 141
GLN A 196
ILE A 187
LEU A 105
 ILE  A 141 ( 0.7A)
GLN  A 196 ( 0.6A)
ILE  A 187 ( 0.6A)
LEU  A 105 ( 0.6A)
 1.25A 3dzyD-5nksA:
undetectable		 3dzyD-5nksA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_C_SAMC300_1
(PUTATIVE RRNA
METHYLASE)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		3 / 3 ASN A 305
ASP A 332
GLN A 330
 ASN  A 305 (-0.6A)
ASP  A 332 ( 0.5A)
GLN  A 330 ( 0.6A)
 0.81A 3eeyC-4mwtA:
undetectable		 3eeyC-4mwtA:
19.18
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.
3EEY_C_SAMC300_1
(PUTATIVE RRNA
METHYLASE)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		3 / 3 ASN A 366
ASP A 378
GLN A 320
 ASN  A 366 ( 0.6A)
ASP  A 378 ( 0.6A)
GLN  A 320 ( 0.6A)
 0.84A 3eeyC-5hiuA:
undetectable		 3eeyC-5hiuA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_D_SAMD300_1
(PUTATIVE RRNA
METHYLASE)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		3 / 3 ASN A 305
ASP A 332
GLN A 330
 ASN  A 305 (-0.6A)
ASP  A 332 ( 0.5A)
GLN  A 330 ( 0.6A)
 0.80A 3eeyD-4mwtA:
undetectable		 3eeyD-4mwtA:
19.18
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.
3EEY_E_SAME300_1
(PUTATIVE RRNA
METHYLASE)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		3 / 3 ASN A 305
ASP A 332
GLN A 330
 ASN  A 305 (-0.6A)
ASP  A 332 ( 0.5A)
GLN  A 330 ( 0.6A)
 0.80A 3eeyE-4mwtA:
undetectable		 3eeyE-4mwtA:
19.18
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.
3EEY_E_SAME300_1
(PUTATIVE RRNA
METHYLASE)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		3 / 3 ASN A 366
ASP A 378
GLN A 320
 ASN  A 366 ( 0.6A)
ASP  A 378 ( 0.6A)
GLN  A 320 ( 0.6A)
 0.82A 3eeyE-5hiuA:
undetectable		 3eeyE-5hiuA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL4_A_ROCA100_2
(PROTEASE)		 1ct9 ASPARAGINE
SYNTHETASE B
(Escherichia
coli) 		5 / 9 ARG A  49
ALA A 122
ILE A 142
GLY A 119
ILE A  77
 GLN  A1106 (-3.8A)
None
None
None
None
 1.04A 3el4B-1ct9A:
undetectable		 3el4B-1ct9A:
10.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		4 / 7 TYR A 285
GLY A 152
TYR A 171
ARG A 358
 GLN  A 501 (-4.3A)
GLN  A 501 (-3.6A)
None
None
 0.84A 3elzA-4n0iA:
undetectable		 3elzA-4n0iA:
14.07
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.
3ELZ_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4g4p AMINO ACID ABC
TRANSPORTER, AMINO
ACID-BINDING/PERMEAS
E PROTEIN
(Enterococcus
faecalis) 		5 / 10 TYR A 106
ILE A 238
ILE A  48
GLY A  89
LEU A 226
 None
None
None
GLN  A 302 (-4.9A)
None
 1.11A 3elzB-4g4pA:
undetectable		 3elzB-4g4pA:
21.37
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.
3EM0_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4g4p AMINO ACID ABC
TRANSPORTER, AMINO
ACID-BINDING/PERMEAS
E PROTEIN
(Enterococcus
faecalis) 		5 / 10 TYR A 106
ILE A 238
ILE A  48
GLY A  89
LEU A 226
 None
None
None
GLN  A 302 (-4.9A)
None
 1.20A 3em0A-4g4pA:
undetectable		 3em0A-4g4pA:
21.37
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.
3EM6_A_017A200_1
(PROTEASE)		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		5 / 8 ASP A 174
GLY A 176
ASP A 211
GLY A 435
LEU A 436
 GLN  A 501 (-4.5A)
GLN  A 501 (-3.5A)
None
None
None
 1.33A 3em6A-2f2aA:
undetectable		 3em6A-2f2aA:
13.12
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.
3FI0_G_TRPG1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		4 / 8 GLY L 109
ILE L  38
VAL H 178
GLN H 172
 GLY  L 109 ( 0.0A)
ILE  L  38 ( 0.7A)
VAL  H 178 ( 0.6A)
GLN  H 172 ( 0.6A)
 0.63A 3fi0G-5gruL:
undetectable		 3fi0G-5gruL:
20.70
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.
3G1U_A_ADNA438_2
(ADENOSYLHOMOCYSTEINA
SE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 4 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.07A 3g1uA-2nvvA:
undetectable		 3g1uA-2nvvA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_C_ADNC438_2
(ADENOSYLHOMOCYSTEINA
SE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.08A 3g1uC-2nvvA:
undetectable		 3g1uC-2nvvA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G2O_A_SAMA500_1
(PCZA361.24)		 4lnf GLUTAMINE SYNTHETASE
(Bacillus
subtilis) 		3 / 3 ARG A 321
GLU A 189
ASP A 158
 None
GLN  A 503 ( 2.7A)
None
 0.81A 3g2oA-4lnfA:
undetectable		 3g2oA-4lnfA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 2pk2 CYCLIN-T1, PROTEIN
TAT
(Homo
sapiens;
Equine
infectious
anemia
virus) 		3 / 3 ASP A  32
LEU A  35
GLN A 190
 ASP  A  32 ( 0.6A)
LEU  A  35 ( 0.6A)
GLN  A 190 ( 0.6A)
 0.59A 3g4lA-2pk2A:
undetectable		 3g4lA-2pk2A:
21.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		3 / 3 ASP A 318
LEU A 319
GLN A 369
 ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
GLN  A 369 (-0.6A)
 0.34A 3g4lA-3sl5A:
53.4		 3g4lA-3sl5A:
98.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_C_ROFC903_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		3 / 3 SER A 368
GLN A 369
PHE A 372
 SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.45A 3g4lC-3sl5A:
53.0		 3g4lC-3sl5A:
98.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TRP A 332
THR A 333
ILE A 336
MET A 337
SER A 368
GLN A 369
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
 0.33A 3g4lD-3sl5A:
52.9		 3g4lD-3sl5A:
98.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.06A 3glqA-2nvvA:
undetectable		 3glqA-2nvvA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.10A 3glqB-2nvvA:
undetectable		 3glqB-2nvvA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_D_486D2_1
(GLUCOCORTICOID
RECEPTOR)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 12 GLY A 134
GLN A 200
VAL A 201
MET A 168
LEU A 137
 GLY  A 134 ( 0.0A)
GLN  A 200 ( 0.6A)
VAL  A 201 ( 0.6A)
PRO  A 197 ( 3.9A)
LEU  A 137 ( 0.6A)
 1.48A 3h52D-2nvvA:
undetectable		 3h52D-2nvvA:
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.
3H9U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		5 / 10 LEU A 156
GLN A 207
THR A 206
GLY A 134
HIS A 135
 LEU  A 156 ( 0.5A)
GLN  A 207 ( 0.6A)
THR  A 206 ( 0.8A)
GLY  A 134 (-0.0A)
HIS  A 135 ( 1.0A)
 1.31A 3h9uD-4w65A:
undetectable		 3h9uD-4w65A:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HZN_G_ACTG225_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3sag EXOSOME COMPONENT 10
(Homo
sapiens) 		3 / 3 PRO A 580
LEU A 581
GLN A 505
 PRO  A 580 ( 1.1A)
LEU  A 581 ( 0.6A)
GLN  A 505 ( 0.6A)
 0.69A 3hznG-3sagA:
undetectable
3hznH-3sagA:
undetectable		 3hznG-3sagA:
17.87
3hznH-3sagA:
17.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IAK_A_EV1A415_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		8 / 9 TYR A 159
ASN A 321
ILE A 336
PHE A 340
MET A 357
GLN A 369
PHE A 372
ILE A 376
 TYR  A 159 (-1.3A)
ASN  A 321 (-0.6A)
ILE  A 336 ( 0.4A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
ILE  A 376 (-0.6A)
 0.53A 3iakA-3sl5A:
51.9		 3iakA-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IAK_A_EV1A415_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		8 / 9 TYR A 159
MET A 273
ASN A 321
ILE A 336
PHE A 340
MET A 357
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
MET  A 273 (-0.0A)
ASN  A 321 (-0.6A)
ILE  A 336 ( 0.4A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.73A 3iakA-3sl5A:
51.9		 3iakA-3sl5A:
94.56
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.
3JWQ_A_VIAA901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 9 TYR A 159
HIS A 160
MET A 357
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 1.01A 3jwqA-3sl5A:
39.2		 3jwqA-3sl5A:
28.41
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.
3JWQ_B_VIAB901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 11 TYR A 159
HIS A 160
MET A 357
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.94A 3jwqB-3sl5A:
39.0
3jwqC-3sl5A:
39.2		 3jwqB-3sl5A:
28.41
3jwqC-3sl5A:
28.41
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.
3JWQ_C_VIAC901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 7 TYR A 159
HIS A 160
MET A 357
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.91A 3jwqC-3sl5A:
39.2		 3jwqC-3sl5A:
28.41
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.
3JWQ_D_VIAD901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		6 / 11 TYR A 159
HIS A 160
PHE A 340
MET A 357
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 1.01A 3jwqA-3sl5A:
39.2
3jwqD-3sl5A:
38.8		 3jwqA-3sl5A:
28.41
3jwqD-3sl5A:
28.41
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.
3JZJ_A_ACRA405_1
(ACARBOSE/MALTOSE
BINDING PROTEIN GACH)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		5 / 12 GLU A 292
GLY A 172
ARG A 358
GLY A 152
ARG A 156
 None
None
None
GLN  A 501 (-3.6A)
None
 1.44A 3jzjA-4n0iA:
1.8		 3jzjA-4n0iA:
21.24
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.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		4 / 4 GLY A 190
ASP A 150
GLY A 428
THR A 215
 None
GLN  A 501 ( 4.7A)
None
None
 1.02A 3k4vC-4n0iA:
undetectable		 3k4vC-4n0iA:
11.57
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.
3KO0_P_TFPP201_1
(PROTEIN S100-A4)		 1wdn GLUTAMINE BINDING
PROTEIN
(Escherichia
coli) 		4 / 7 GLY A  89
GLY A 119
PHE A  27
PHE A 221
 None
GLN  A 227 (-3.9A)
None
None
 0.85A 3ko0M-1wdnA:
undetectable
3ko0P-1wdnA:
undetectable		 3ko0M-1wdnA:
20.09
3ko0P-1wdnA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N58_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.09A 3n58A-2nvvA:
2.2		 3n58A-2nvvA:
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.
3N58_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3rab PROTEIN (RAB3A)
(Rattus
norvegicus) 		4 / 5 LEU A 131
GLN A 174
THR A 175
GLU A 160
 LEU  A 131 ( 0.6A)
GLN  A 174 ( 0.6A)
THR  A 175 ( 0.8A)
GLU  A 160 ( 0.5A)
 1.12A 3n58C-3rabA:
2.9		 3n58C-3rabA:
14.85
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.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		6 / 12 THR A 106
GLY A 129
ILE A 135
ASP A 151
ASN A 197
PRO A 199
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.8A)
SAM  A 301 (-2.9A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
 0.90A 3q87B-1sg9A:
18.2		 3q87B-1sg9A:
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.
3RGL_A_GLYA301_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)		 1tza APAG PROTEIN
(Shewanella
oneidensis) 		4 / 8 ALA A  66
GLY A  65
THR A  48
GLN A  64
 ALA  A  66 ( 0.0A)
GLY  A  65 ( 0.0A)
THR  A  48 ( 0.8A)
GLN  A  64 ( 0.6A)
 0.92A 3rglA-1tzaA:
undetectable		 3rglA-1tzaA:
18.85
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.
3RV5_A_DXCA91_0
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		3 / 3 PHE A 371
GLN A 219
PHE A 314
 PHE  A 371 ( 1.3A)
GLN  A 219 ( 0.6A)
PHE  A 314 ( 1.3A)
 0.84A 3rv5A-2ogsA:
0.0		 3rv5A-2ogsA:
11.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RV5_A_DXCA91_0
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		3 / 3 PHE A 167
GLN A 180
PHE A 109
 PHE  A 167 ( 1.3A)
GLN  A 180 ( 0.6A)
PHE  A 109 ( 1.3A)
 0.80A 3rv5A-5nksA:
undetectable		 3rv5A-5nksA:
10.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SI7_A_ACTA5_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 1szb MANNOSE BINDING
LECTIN-ASSOCIATED
SERINE PROTEASE-2
RELATED PROTEIN,
MAP19 (19KDA)
(Homo
sapiens) 		3 / 3 LYS A 110
SER A  79
GLN A  77
 LYS  A 110 ( 0.0A)
SER  A  79 ( 0.0A)
GLN  A  77 ( 0.6A)
 1.12A 3si7A-1szbA:
undetectable		 3si7A-1szbA:
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.
3SMT_A_ACTA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3)		 1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE
(Homo
sapiens) 		3 / 3 PHE A 262
SER A 283
GLN A 285
 PHE  A 262 ( 1.3A)
SER  A 283 ( 0.0A)
GLN  A 285 ( 0.6A)
 0.62A 3smtA-1wojA:
undetectable		 3smtA-1wojA:
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.
3SMT_A_ACTA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		3 / 3 PHE A 359
SER A 324
GLN A 320
 PHE  A 359 ( 1.3A)
SER  A 324 ( 0.0A)
GLN  A 320 ( 0.6A)
 0.85A 3smtA-5hiuA:
undetectable		 3smtA-5hiuA:
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.
3SU9_A_ACTA426_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT
(Bacillus
anthracis) 		3 / 3 GLN A 158
GLU A 182
LYS A 147
 GLN  A 158 (-0.6A)
GLU  A 182 (-0.6A)
LYS  A 147 (-0.0A)
 1.18A 3su9A-4dlkA:
undetectable		 3su9A-4dlkA:
22.78
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.
3T8N_D_EDTD135_0
(STEROID
DELTA-ISOMERASE)		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		5 / 11 GLY A 130
GLY A 152
PRO A 151
PRO A 182
ASP A 425
 GLN  A 501 (-3.2A)
None
None
None
GLN  A 501 (-2.6A)
 1.39A 3t8nD-2f2aA:
0.0
3t8nF-2f2aA:
0.0		 3t8nD-2f2aA:
13.88
3t8nF-2f2aA:
13.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TVX_A_PNXA902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		9 / 9 TYR A 159
LEU A 319
ASN A 321
PRO A 322
THR A 333
ILE A 336
MET A 357
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
LEU  A 319 ( 0.6A)
ASN  A 321 (-0.6A)
PRO  A 322 (-1.1A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.46A 3tvxA-3sl5A:
51.5		 3tvxA-3sl5A:
85.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		7 / 7 TYR A 159
ASN A 321
ILE A 336
PHE A 340
MET A 357
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
ASN  A 321 (-0.6A)
ILE  A 336 ( 0.4A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.52A 3tvxB-3sl5A:
51.6		 3tvxB-3sl5A:
85.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UCJ_A_AZMA229_2
(CARBONIC ANHYDRASE)		 1ryn PROTEIN CRS2
(Zea
mays) 		3 / 3 GLN A  44
PHE A  45
TYR A  82
 GLN  A  44 ( 0.6A)
PHE  A  45 ( 1.3A)
TYR  A  82 ( 1.3A)
 0.97A 3ucjB-1rynA:
undetectable		 3ucjB-1rynA:
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.
3UCJ_B_AZMB229_1
(CARBONIC ANHYDRASE)		 1ryn PROTEIN CRS2
(Zea
mays) 		3 / 3 GLN A  44
PHE A  45
TYR A  82
 GLN  A  44 ( 0.6A)
PHE  A  45 ( 1.3A)
TYR  A  82 ( 1.3A)
 0.97A 3ucjA-1rynA:
undetectable		 3ucjA-1rynA:
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.
3V4T_E_ACTE503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		3 / 3 GLN A 207
THR A  50
ASN A 183
 GLN  A 207 ( 0.6A)
THR  A  50 ( 0.8A)
ASN  A 183 ( 0.6A)
 0.90A 3v4tE-1wqaA:
undetectable		 3v4tE-1wqaA:
24.90
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.
3VYW_A_SAMA501_0
(MNMC2)		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		5 / 12 GLY A 153
GLY A 130
TYR A 422
ASN A 424
ALA A 159
 None
GLN  A 501 (-3.2A)
None
None
None
 1.12A 3vywA-2f2aA:
undetectable		 3vywA-2f2aA:
20.73
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.
3VYW_B_SAMB401_0
(MNMC2)		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		5 / 12 GLY A 153
GLY A 130
TYR A 422
ASN A 424
ALA A 159
 None
GLN  A 501 (-3.2A)
None
None
None
 1.16A 3vywB-2f2aA:
undetectable		 3vywB-2f2aA:
20.73
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.
3VYW_D_SAMD401_0
(MNMC2)		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		5 / 12 GLY A 153
GLY A 130
TYR A 422
ASN A 424
ALA A 159
 None
GLN  A 501 (-3.2A)
None
None
None
 1.15A 3vywD-2f2aA:
undetectable		 3vywD-2f2aA:
20.73
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.
3W9T_B_W9TB504_1
(HEMOLYTIC LECTIN
CEL-III)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 5 GLU A 167
GLY A 170
TYR A 230
GLN A 172
 GLU  A 167 ( 0.6A)
GLY  A 170 ( 0.0A)
TYR  A 230 (-1.3A)
GLN  A 172 ( 0.6A)
 1.46A 3w9tB-5d7wA:
undetectable		 3w9tB-5d7wA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A6N_A_T1CA392_1
(TETX2 PROTEIN)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		5 / 11 GLN A 665
PHE A 152
GLY A 696
ALA A 215
GLY A 211
 GLN  A 665 ( 0.6A)
PHE  A 152 ( 1.3A)
GLY  A 696 ( 0.0A)
ALA  A 215 ( 0.0A)
GLY  A 211 ( 0.0A)
 1.24A 4a6nA-4flxA:
undetectable		 4a6nA-4flxA:
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.
4A99_D_MIYD393_1
(TETX2 PROTEIN)		 4zke SUPERKILLER PROTEIN
7
(Saccharomyces
cerevisiae) 		4 / 5 ILE A 257
GLN A 558
ILE A 557
TYR A 556
 ILE  A 257 ( 0.4A)
GLN  A 558 ( 0.6A)
ILE  A 557 ( 0.4A)
TYR  A 556 ( 1.3A)
 1.25A 4a99D-4zkeA:
undetectable		 4a99D-4zkeA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AE1_B_NCAB1536_0
(DIPHTHERIA TOXIN)		 4lnf GLUTAMINE SYNTHETASE
(Bacillus
subtilis) 		4 / 5 HIS A 188
GLY A 155
TYR A 156
GLU A 196
 None
None
GLN  A 503 (-4.7A)
PO4  A 504 ( 2.8A)
 1.19A 4ae1B-4lnfA:
undetectable		 4ae1B-4lnfA:
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.
4AZV_A_SAMA1474_1
(WBDD)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		4 / 6 GLN A 466
ARG A 165
ASP A 384
GLN A 397
 GLN  A 466 ( 0.6A)
ARG  A 165 ( 0.6A)
ASP  A 384 ( 0.5A)
GLN  A 397 ( 0.6A)
 1.31A 4azvA-5gprA:
undetectable		 4azvA-5gprA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B9Z_A_ACRA1818_2
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 5svd NUCLEOLAR PROTEIN 9
(Saccharomyces
cerevisiae) 		4 / 5 PHE A 351
PHE A 291
TRP A 321
GLN A 305
 PHE  A 351 ( 1.3A)
PHE  A 291 ( 1.3A)
TRP  A 321 ( 0.5A)
GLN  A 305 ( 0.6A)
 1.44A 4b9zA-5svdA:
0.0		 4b9zA-5svdA:
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.
4BB2_B_STRB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 4zke SUPERKILLER PROTEIN
7
(Saccharomyces
cerevisiae) 		5 / 11 GLN A 568
THR A 681
PHE A 715
ILE A 710
HIS A 678
 GLN  A 568 ( 0.6A)
THR  A 681 ( 0.8A)
PHE  A 715 ( 1.3A)
ILE  A 710 ( 0.7A)
HIS  A 678 ( 1.0A)
 1.03A 4bb2A-4zkeA:
undetectable
4bb2B-4zkeA:
undetectable		 4bb2A-4zkeA:
23.00
4bb2B-4zkeA:
5.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BUP_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4lnf GLUTAMINE SYNTHETASE
(Bacillus
subtilis) 		3 / 3 HIS A 245
GLU A 189
ASN A 240
 PO4  A 504 ( 3.1A)
GLN  A 503 ( 2.7A)
GLN  A 503 (-4.6A)
 1.04A 4bupB-4lnfA:
undetectable		 4bupB-4lnfA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C49_B_HCYB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		5 / 12 SER A 385
GLN A 196
THR A 253
ILE A 391
HIS A  73
 SER  A 385 ( 0.0A)
GLN  A 196 ( 0.6A)
THR  A 253 ( 0.8A)
ILE  A 391 ( 0.6A)
HIS  A  73 ( 1.0A)
 1.33A 4c49B-5nksA:
undetectable		 4c49B-5nksA:
22.46
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.
4C49_C_HCYC1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 4zke SUPERKILLER PROTEIN
7
(Saccharomyces
cerevisiae) 		5 / 12 GLN A 568
THR A 681
PHE A 715
ILE A 710
HIS A 678
 GLN  A 568 ( 0.6A)
THR  A 681 ( 0.8A)
PHE  A 715 ( 1.3A)
ILE  A 710 ( 0.7A)
HIS  A 678 ( 1.0A)
 1.06A 4c49C-4zkeA:
undetectable		 4c49C-4zkeA:
23.27
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.
4CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3r6y ASPARTASE
(Bacillus
sp.
YM55-1) 		5 / 11 GLN A 139
THR A 141
ALA A 144
LEU A  49
ASN A 136
 GLN  A 139 ( 0.6A)
THR  A 141 ( 0.8A)
ALA  A 144 ( 0.0A)
LEU  A  49 ( 0.6A)
ASN  A 136 ( 0.6A)
 1.24A 4claA-3r6yA:
undetectable		 4claA-3r6yA:
20.15
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.
4DCM_A_SAMA401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		8 / 11 PHE A 100
ASP A 127
GLY A 129
GLY A 131
ILE A 135
ASP A 151
ASN A 197
PRO A 199
 SAM  A 301 ( 3.4A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-4.8A)
SAM  A 301 (-2.9A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
 0.57A 4dcmA-1sg9A:
17.2		 4dcmA-1sg9A:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DRH_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 5c6d UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7
(Homo
sapiens) 		5 / 12 HIS A 704
GLN A 574
VAL A 570
ILE A 569
ILE A 620
 HIS  A 704 ( 1.0A)
GLN  A 574 ( 0.6A)
VAL  A 570 ( 0.6A)
ILE  A 569 ( 0.7A)
ILE  A 620 ( 0.7A)
 1.31A 4drhA-5c6dA:
undetectable		 4drhA-5c6dA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DRH_D_RAPD201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 5c6d UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7
(Homo
sapiens) 		5 / 12 HIS A 704
GLN A 574
VAL A 570
ILE A 569
ILE A 620
 HIS  A 704 ( 1.0A)
GLN  A 574 ( 0.6A)
VAL  A 570 ( 0.6A)
ILE  A 569 ( 0.7A)
ILE  A 620 ( 0.7A)
 1.23A 4drhD-5c6dA:
undetectable		 4drhD-5c6dA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		4 / 4 GLU A 316
ASP A 211
ARG A 323
THR A 175
 None
None
None
GLN  A 501 (-4.2A)
 1.35A 4ej1A-2f2aA:
0.8		 4ej1A-2f2aA:
15.78
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.
4EJ1_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		4 / 4 GLU A 292
ASP A 187
ARG A 299
THR A 151
 None
None
None
GLN  A 501 (-4.4A)
 1.31A 4ej1A-4n0iA:
undetectable		 4ej1A-4n0iA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		4 / 7 GLY A 153
GLY A 131
MET A 421
ASN A 424
 None
GLN  A 501 ( 4.5A)
None
None
 0.88A 4fgkB-2f2aA:
undetectable		 4fgkB-2f2aA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		4 / 5 GLY A 153
GLY A 131
MET A 421
ASN A 424
 None
GLN  A 501 ( 4.5A)
None
None
 0.90A 4fglC-2f2aA:
undetectable		 4fglC-2f2aA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		4 / 6 GLY A 153
GLY A 131
MET A 421
ASN A 424
 None
GLN  A 501 ( 4.5A)
None
None
 0.86A 4fglD-2f2aA:
undetectable		 4fglD-2f2aA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FU9_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2pk2 CYCLIN-T1, PROTEIN
TAT
(Homo
sapiens;
Equine
infectious
anemia
virus) 		3 / 3 GLN A  39
THR A 185
THR A 186
 GLN  A  39 ( 0.6A)
THR  A 185 ( 0.8A)
THR  A 186 ( 0.8A)
 0.70A 4fu9A-2pk2A:
undetectable		 4fu9A-2pk2A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FU9_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 3cbt PHOSPHATASE SC4828
(Streptomyces
coelicolor) 		3 / 3 GLN A 172
THR A  87
THR A  90
 GLN  A 172 ( 0.6A)
THR  A  87 ( 0.8A)
THR  A  90 ( 0.8A)
 0.74A 4fu9A-3cbtA:
undetectable		 4fu9A-3cbtA:
19.85
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.
4FUF_A_ACTA310_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2pk2 CYCLIN-T1, PROTEIN
TAT
(Homo
sapiens;
Equine
infectious
anemia
virus) 		3 / 3 GLN A  39
THR A 185
THR A 186
 GLN  A  39 ( 0.6A)
THR  A 185 ( 0.8A)
THR  A 186 ( 0.8A)
 0.68A 4fufA-2pk2A:
undetectable		 4fufA-2pk2A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FUF_A_ACTA310_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 3cbt PHOSPHATASE SC4828
(Streptomyces
coelicolor) 		3 / 3 GLN A 172
THR A  87
THR A  90
 GLN  A 172 ( 0.6A)
THR  A  87 ( 0.8A)
THR  A  90 ( 0.8A)
 0.72A 4fufA-3cbtA:
undetectable		 4fufA-3cbtA:
19.85
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.
4G1B_C_ECNC403_1
(FLAVOHEMOGLOBIN)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		5 / 9 ILE A 109
GLN A 115
LEU A 114
VAL A 215
LEU A 129
 ILE  A 109 ( 0.4A)
GLN  A 115 ( 0.6A)
LEU  A 114 ( 0.6A)
VAL  A 215 ( 0.6A)
LEU  A 129 ( 0.6A)
 1.22A 4g1bC-1fxjA:
2.9		 4g1bC-1fxjA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GC9_A_SAMA401_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		5 / 12 GLY A 129
GLY A 131
ILE A 135
ASN A 197
PRO A 199
 SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-4.8A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
 0.50A 4gc9A-1sg9A:
9.7		 4gc9A-1sg9A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		4 / 7 PHE C 215
TYR C 211
GLN C 195
PHE C 312
 PHE  C 215 ( 1.3A)
TYR  C 211 ( 1.3A)
GLN  C 195 ( 0.6A)
PHE  C 312 ( 1.3A)
 1.39A 4grqA-3ghgC:
undetectable
4grqC-3ghgC:
undetectable		 4grqA-3ghgC:
13.33
4grqC-3ghgC:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		5 / 12 VAL A 226
PRO A 215
THR A 175
SER A 154
GLY A 177
 None
None
GLN  A 501 (-4.2A)
GLN  A 501 (-2.9A)
GLN  A 501 (-4.1A)
 1.46A 4hvcA-2f2aA:
undetectable		 4hvcA-2f2aA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HXY_B_ACAB502_1
(PLM1)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		4 / 7 VAL A  31
GLN A  33
TYR A  36
MET A  70
 VAL  A  31 ( 0.6A)
GLN  A  33 ( 0.6A)
TYR  A  36 ( 1.3A)
MET  A  70 ( 0.0A)
 1.16A 4hxyB-3wd7A:
undetectable		 4hxyB-3wd7A:
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.
4I41_A_MIXA500_2
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 1ted PKS18
(Mycobacterium
tuberculosis) 		4 / 4 LEU A 352
LEU A 182
GLN A 336
GLU A 357
 LEU  A 352 ( 0.6A)
LEU  A 182 ( 0.6A)
GLN  A 336 ( 0.6A)
GLU  A 357 ( 0.6A)
 1.21A 4i41A-1tedA:
undetectable		 4i41A-1tedA:
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.
4II8_A_010A210_0
(LYSOZYME C)		 2pk2 CYCLIN-T1, PROTEIN
TAT
(Homo
sapiens;
Equine
infectious
anemia
virus) 		4 / 7 ASP A  47
GLN A  50
ASN A  43
ILE A  63
 ASP  A  47 ( 0.6A)
GLN  A  50 ( 0.6A)
ASN  A  43 ( 0.6A)
ILE  A  63 ( 0.7A)
 1.23A 4ii8A-2pk2A:
undetectable		 4ii8A-2pk2A:
15.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4II8_A_010A210_0
(LYSOZYME C)		 3cb7 LYS-RICH LYSOZYME 2
(Musca
domestica) 		6 / 7 GLU A  36
ASP A  54
GLN A  59
ASN A  61
TRP A  65
TRP A 109
 GLU  A  36 (-0.6A)
ASP  A  54 (-0.5A)
GLN  A  59 (-0.6A)
ASN  A  61 (-0.6A)
TRP  A  65 (-0.5A)
TRP  A 109 ( 0.5A)
 0.32A 4ii8A-3cb7A:
19.0		 4ii8A-3cb7A:
37.21
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.
4J4V_A_SVRA301_1
(NUCLEOCAPSID PROTEIN)		 3i4k MUCONATE LACTONIZING
ENZYME
(Corynebacterium
glutamicum) 		5 / 11 GLY A 310
GLN A 316
PRO A 333
PHE A 345
ILE A 341
 GLY  A 310 ( 0.0A)
GLN  A 316 ( 0.6A)
PRO  A 333 ( 1.1A)
PHE  A 345 ( 1.3A)
ILE  A 341 ( 0.3A)
 1.13A 4j4vA-3i4kA:
undetectable		 4j4vA-3i4kA:
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.
4J4V_D_SVRD301_1
(NUCLEOCAPSID PROTEIN)		 3i4k MUCONATE LACTONIZING
ENZYME
(Corynebacterium
glutamicum) 		5 / 11 ALA A 119
GLN A 316
PRO A 333
PHE A 345
ILE A 341
 ALA  A 119 ( 0.0A)
GLN  A 316 ( 0.6A)
PRO  A 333 ( 1.1A)
PHE  A 345 ( 1.3A)
ILE  A 341 ( 0.3A)
 1.43A 4j4vD-3i4kA:
undetectable
4j4vE-3i4kA:
undetectable		 4j4vD-3i4kA:
21.29
4j4vE-3i4kA:
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.
4J4V_D_SVRD301_1
(NUCLEOCAPSID PROTEIN)		 3i4k MUCONATE LACTONIZING
ENZYME
(Corynebacterium
glutamicum) 		5 / 11 GLY A 310
GLN A 316
PRO A 333
PHE A 345
ILE A 341
 GLY  A 310 ( 0.0A)
GLN  A 316 ( 0.6A)
PRO  A 333 ( 1.1A)
PHE  A 345 ( 1.3A)
ILE  A 341 ( 0.3A)
 1.27A 4j4vD-3i4kA:
undetectable
4j4vE-3i4kA:
undetectable		 4j4vD-3i4kA:
21.29
4j4vE-3i4kA:
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.
4K87_A_ADNA602_1
(PROLINE--TRNA LIGASE)		 3c3n DIHYDROOROTATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 8 PHE A  13
GLN A 271
GLY A 249
THR A 193
 PHE  A  13 ( 1.3A)
GLN  A 271 ( 0.6A)
GLY  A 249 ( 0.0A)
THR  A 193 ( 0.8A)
 0.99A 4k87A-3c3nA:
undetectable		 4k87A-3c3nA:
21.96
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.
4KCN_B_MTLB806_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE
(Saccharomyces
cerevisiae) 		4 / 7 ASN A 406
GLN A 371
PHE A 369
ASN A 434
 ASN  A 406 ( 0.6A)
GLN  A 371 ( 0.6A)
PHE  A 369 ( 1.3A)
ASN  A 434 ( 0.6A)
 1.36A 4kcnB-4g9kA:
undetectable		 4kcnB-4g9kA:
20.24
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.
4KOE_H_TR6H101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA4)		 5f1q PERIPLASMIC
DIPEPTIDE TRANSPORT
PROTEIN
(Yersinia
pestis) 		4 / 7 SER A 184
GLY A 525
GLY A  50
GLU A  36
 None
GLN  A 608 (-3.8A)
GLN  A 608 ( 3.2A)
None
 0.79A 4koeA-5f1qA:
3.2
4koeB-5f1qA:
3.1
4koeD-5f1qA:
undetectable		 4koeA-5f1qA:
23.29
4koeB-5f1qA:
23.29
4koeD-5f1qA:
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.
4KQI_A_NIOA403_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		5 / 9 GLY A 328
GLY A 101
PHE A 100
GLU A  99
GLY A 103
 None
None
None
None
GLN  A 501 (-3.8A)
 1.14A 4kqiA-4n0iA:
undetectable		 4kqiA-4n0iA:
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.
4L6V_1_PQN12001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		 4g4p AMINO ACID ABC
TRANSPORTER, AMINO
ACID-BINDING/PERMEAS
E PROTEIN
(Enterococcus
faecalis) 		5 / 11 MET A  90
PHE A  71
GLY A  28
ALA A  77
GLY A  70
 None
GLN  A 302 (-3.8A)
None
None
None
 1.20A 4l6v1-4g4pA:
undetectable
4l6v6-4g4pA:
undetectable		 4l6v1-4g4pA:
14.59
4l6v6-4g4pA:
17.62
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.
4LB0_A_ACTA401_0
(UNCHARACTERIZED
PROTEIN)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		5 / 9 SER A 154
GLY A 153
TYR A 182
GLY A 152
THR A 151
 GLN  A 501 (-1.2A)
GLN  A 501 (-4.1A)
GLN  A 501 (-4.5A)
GLN  A 501 (-3.6A)
GLN  A 501 (-4.4A)
 1.47A 4lb0A-4n0iA:
undetectable		 4lb0A-4n0iA:
21.41
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.
4LVC_A_ADNA501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.02A 4lvcA-2nvvA:
2.4		 4lvcA-2nvvA:
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.
4LVC_C_ADNC501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 1wdn GLUTAMINE BINDING
PROTEIN
(Escherichia
coli) 		4 / 5 GLN A 184
THR A 118
HIS A 156
LEU A  90
 None
GLN  A 227 (-4.2A)
GLN  A 227 (-4.0A)
None
 1.36A 4lvcC-1wdnA:
undetectable		 4lvcC-1wdnA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LVC_C_ADNC501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.02A 4lvcC-2nvvA:
2.0		 4lvcC-2nvvA:
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.
4M2X_A_TMQA202_2
(DIHYDROFOLATE
REDUCTASE)		 5d7w SERRALYSIN
(Serratia
marcescens) 		3 / 3 TRP A  46
GLN A  54
THR A  45
 TRP  A  46 ( 0.5A)
GLN  A  54 ( 0.6A)
THR  A  45 ( 0.8A)
 0.87A 4m2xA-5d7wA:
undetectable		 4m2xA-5d7wA:
16.63
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.
4M2X_G_TMQG202_1
(DIHYDROFOLATE
REDUCTASE)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		6 / 12 ASP A  87
GLN A  91
PRO A 463
VAL A 461
ILE A 104
THR A 335
 ASP  A  87 ( 0.5A)
GLN  A  91 ( 0.6A)
PRO  A 463 ( 1.1A)
VAL  A 461 ( 0.6A)
ILE  A 104 ( 0.6A)
THR  A 335 ( 0.8A)
 1.21A 4m2xG-5nksA:
undetectable		 4m2xG-5nksA:
13.74
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.
4MA8_C_Z80C301_1
(MAJOR PRION PROTEIN)		 1txu RAB5 GDP/GTP
EXCHANGE FACTOR
(Homo
sapiens) 		4 / 5 LEU A 146
GLY A 153
ILE A 211
GLN A 210
 LEU  A 146 ( 0.6A)
GLY  A 153 ( 0.0A)
ILE  A 211 ( 0.7A)
GLN  A 210 ( 0.6A)
 1.08A 4ma8C-1txuA:
2.1		 4ma8C-1txuA:
15.81
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.
4MJ8_A_SPMA202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 1txu RAB5 GDP/GTP
EXCHANGE FACTOR
(Homo
sapiens) 		4 / 8 GLU A 232
GLN A 239
ILE A 242
LEU A 331
 GLU  A 232 ( 0.5A)
GLN  A 239 ( 0.6A)
ILE  A 242 ( 0.7A)
LEU  A 331 ( 0.6A)
 0.76A 4mj8A-1txuA:
undetectable		 4mj8A-1txuA:
19.42
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.
4NC3_A_ERMA1202_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 4non FERROUS IRON UPTAKE
TRANSPORTER PROTEIN
B
(Streptococcus
thermophilus) 		4 / 6 LEU A  95
ASN A  84
GLN A 100
LEU A 101
 LEU  A  95 ( 0.6A)
ASN  A  84 ( 0.6A)
GLN  A 100 ( 0.6A)
LEU  A 101 ( 0.6A)
 1.27A 4nc3A-4nonA:
undetectable		 4nc3A-4nonA:
20.70
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.
4O5F_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		5 / 12 GLN A  91
LEU A 427
THR A 335
LEU A  76
GLY A  92
 GLN  A  91 ( 0.6A)
LEU  A 427 ( 0.6A)
THR  A 335 ( 0.8A)
LEU  A  76 ( 0.6A)
GLY  A  92 ( 0.0A)
 1.27A 4o5fA-5nksA:
undetectable
4o5fB-5nksA:
undetectable		 4o5fA-5nksA:
20.29
4o5fB-5nksA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		5 / 12 VAL A 226
PRO A 215
THR A 175
SER A 154
GLY A 177
 None
None
GLN  A 501 (-4.2A)
GLN  A 501 (-2.9A)
GLN  A 501 (-4.1A)
 1.43A 4olfA-2f2aA:
undetectable		 4olfA-2f2aA:
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.
4OLT_A_GCSA306_1
(CHITOSANASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		3 / 3 SER B 293
ASP B 290
GLN B 300
 SER  B 293 ( 0.0A)
ASP  B 290 ( 0.6A)
GLN  B 300 ( 0.6A)
 0.88A 4oltA-4oudB:
undetectable
4oltB-4oudB:
undetectable		 4oltA-4oudB:
20.60
4oltB-4oudB:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_B_ADNB501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 1ryn PROTEIN CRS2
(Zea
mays) 		3 / 3 PRO A  99
LEU A  98
GLN A 192
 PRO  A  99 ( 1.1A)
LEU  A  98 ( 0.5A)
GLN  A 192 ( 0.6A)
 0.53A 4pevB-1rynA:
5.0		 4pevB-1rynA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_B_ADNB501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		3 / 3 PRO A 283
LEU A 282
GLN A 289
 PRO  A 283 ( 1.1A)
LEU  A 282 ( 0.6A)
GLN  A 289 ( 0.6A)
 0.58A 4pevB-4hneA:
undetectable		 4pevB-4hneA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QTU_B_SAMB301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		4 / 5 TYR A 165
GLN A 162
SER A 132
ASP A 207
 TYR  A 165 ( 1.3A)
GLN  A 162 ( 0.6A)
SER  A 132 ( 0.0A)
ASP  A 207 ( 0.6A)
 1.06A 4qtuB-3wd7A:
undetectable		 4qtuB-3wd7A:
19.32
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.
4QWP_B_GCSB304_1
(CHITOSANASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		3 / 3 GLN B 300
SER B 293
ASP B 290
 GLN  B 300 ( 0.6A)
SER  B 293 ( 0.0A)
ASP  B 290 ( 0.6A)
 0.96A 4qwpA-4oudB:
undetectable
4qwpB-4oudB:
undetectable		 4qwpA-4oudB:
20.15
4qwpB-4oudB:
20.15
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.
4QWP_B_GCSB305_1
(CHITOSANASE)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		3 / 3 GLY A  89
PRO A  88
GLN A  93
 GLY  A  89 ( 0.0A)
PRO  A  88 ( 1.1A)
GLN  A  93 ( 0.6A)
 0.52A 4qwpB-4w65A:
undetectable		 4qwpB-4w65A:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTB_A_SAMA501_1
(HYDG PROTEIN)		 4xm4 MEX67
(Chaetomium
thermophilum) 		3 / 3 GLU A 511
ARG A 522
GLN A 516
 GLU  A 511 ( 0.5A)
ARG  A 522 ( 0.6A)
GLN  A 516 ( 0.6A)
 0.93A 4rtbA-4xm4A:
undetectable		 4rtbA-4xm4A:
22.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		 1fgv H52 FV (HEAVY CHAIN)
H52 FV (LIGHT CHAIN)
(Homo
sapiens;
Homo
sapiens) 		8 / 12 HIS H  35
GLY H 101
PHE H 111
GLN L  89
GLN L  90
GLY L  91
LEU L  94
PRO L  96
 HIS  H  35 ( 1.0A)
GLY  H 101 ( 0.0A)
PHE  H 111 ( 1.3A)
GLN  L  89 ( 0.6A)
GLN  L  90 ( 0.6A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
 0.85A 4uilH-1fgvH:
20.2
4uilL-1fgvH:
5.2		 4uilH-1fgvH:
53.23
4uilL-1fgvH:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		 1fgv H52 FV (HEAVY CHAIN)
H52 FV (LIGHT CHAIN)
(Homo
sapiens;
Homo
sapiens) 		8 / 12 HIS H  35
SER H  59
PHE H 111
GLN L  89
GLN L  90
GLY L  91
LEU L  94
PRO L  96
 HIS  H  35 ( 1.0A)
SER  H  59 ( 0.0A)
PHE  H 111 ( 1.3A)
GLN  L  89 ( 0.6A)
GLN  L  90 ( 0.6A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
 1.00A 4uilH-1fgvH:
20.2
4uilL-1fgvH:
5.2		 4uilH-1fgvH:
53.23
4uilL-1fgvH:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 12 PHE L 103
GLN H 223
GLN H 224
GLY H 225
LEU H 228
 PHE  L 103 ( 1.3A)
GLN  H 223 ( 0.6A)
GLN  H 224 ( 0.6A)
GLY  H 225 ( 0.0A)
LEU  H 228 ( 0.6A)
 0.62A 4uilH-5gruL:
18.6
4uilL-5gruL:
19.3		 4uilH-5gruL:
35.54
4uilL-5gruL:
66.36
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.
4WNW_A_RTZA602_1
(CYTOCHROME P450 2D6)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		5 / 12 LEU A 212
LEU A 173
GLN A 185
THR A 193
PHE A 170
 LEU  A 212 ( 0.6A)
LEU  A 173 ( 0.5A)
GLN  A 185 ( 0.6A)
THR  A 193 ( 0.8A)
PHE  A 170 ( 1.3A)
 1.22A 4wnwA-5hiuA:
undetectable		 4wnwA-5hiuA:
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.
4WS0_A_URFA301_1
(URACIL-DNA
GLYCOSYLASE)		 3r6y ASPARTASE
(Bacillus
sp.
YM55-1) 		4 / 7 GLY A 354
GLN A 355
SER A 351
ASN A 359
 GLY  A 354 ( 0.0A)
GLN  A 355 ( 0.6A)
SER  A 351 ( 0.0A)
ASN  A 359 ( 0.6A)
 0.95A 4ws0A-3r6yA:
undetectable		 4ws0A-3r6yA:
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.
4WS1_A_URFA301_1
(URACIL-DNA
GLYCOSYLASE)		 3r6y ASPARTASE
(Bacillus
sp.
YM55-1) 		4 / 8 GLY A 354
GLN A 355
SER A 351
ASN A 359
 GLY  A 354 ( 0.0A)
GLN  A 355 ( 0.6A)
SER  A 351 ( 0.0A)
ASN  A 359 ( 0.6A)
 0.94A 4ws1A-3r6yA:
undetectable		 4ws1A-3r6yA:
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		5 / 12 PHE A 416
PHE A 405
GLN A 419
ILE A 420
VAL A 199
 PHE  A 416 ( 1.3A)
PHE  A 405 ( 1.3A)
GLN  A 419 ( 0.6A)
ILE  A 420 ( 0.7A)
VAL  A 199 ( 0.6A)
 1.50A 4yfbF-4hneA:
undetectable		 4yfbF-4hneA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		5 / 12 PHE A 416
PHE A 405
GLN A 419
ILE A 420
VAL A 199
 PHE  A 416 ( 1.3A)
PHE  A 405 ( 1.3A)
GLN  A 419 ( 0.6A)
ILE  A 420 ( 0.7A)
VAL  A 199 ( 0.6A)
 1.49A 4yfbI-4hneA:
undetectable		 4yfbI-4hneA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		5 / 12 PHE A 416
PHE A 405
GLN A 419
ILE A 420
VAL A 199
 PHE  A 416 ( 1.3A)
PHE  A 405 ( 1.3A)
GLN  A 419 ( 0.6A)
ILE  A 420 ( 0.7A)
VAL  A 199 ( 0.6A)
 1.48A 4yfbL-4hneA:
undetectable		 4yfbL-4hneA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 6gct NEUTRAL AMINO ACID
TRANSPORTER B(0)
(Homo
sapiens) 		5 / 12 LEU A 439
GLY A 427
ILE A 453
GLY A 434
GLY A 435
 None
None
None
GLN  A 601 ( 4.8A)
GLN  A 601 (-3.4A)
 1.02A 4yvgA-6gctA:
undetectable		 4yvgA-6gctA:
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.
4Z53_H_TR6H101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 5f1q PERIPLASMIC
DIPEPTIDE TRANSPORT
PROTEIN
(Yersinia
pestis) 		4 / 7 GLY A 525
GLY A  50
GLU A  36
SER A 184
 GLN  A 608 (-3.8A)
GLN  A 608 ( 3.2A)
None
None
 0.77A 4z53A-5f1qA:
3.5
4z53B-5f1qA:
3.2		 4z53A-5f1qA:
23.47
4z53B-5f1qA:
23.47
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.
4ZDY_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1wdn GLUTAMINE BINDING
PROTEIN
(Escherichia
coli) 		5 / 12 GLY A 119
TYR A  86
ILE A 216
GLY A  26
HIS A 156
 GLN  A 227 (-3.9A)
None
None
None
GLN  A 227 (-4.0A)
 1.18A 4zdyA-1wdnA:
undetectable		 4zdyA-1wdnA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJQ_D_ERYD1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 4lnf GLUTAMINE SYNTHETASE
(Bacillus
subtilis) 		5 / 12 PHE A 136
ASP A 198
ARG A 335
GLU A 333
GLU A 132
 None
PO4  A 504 ( 4.9A)
GLN  A 503 ( 4.8A)
MG  A 502 (-2.3A)
PO4  A 504 ( 2.3A)
 0.93A 4zjqD-4lnfA:
2.7		 4zjqD-4lnfA:
17.06
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.
4ZZC_A_ACTA401_0
(PROTON-GATED ION
CHANNEL)		 1wdn GLUTAMINE BINDING
PROTEIN
(Escherichia
coli) 		4 / 6 ILE A  69
PHE A  81
ARG A  75
ILE A  54
 None
None
GLN  A 227 (-3.0A)
None
 1.30A 4zzcA-1wdnA:
undetectable
4zzcB-1wdnA:
undetectable		 4zzcA-1wdnA:
21.78
4zzcB-1wdnA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZZC_B_ACTB401_0
(PROTON-GATED ION
CHANNEL)		 1wdn GLUTAMINE BINDING
PROTEIN
(Escherichia
coli) 		4 / 6 ILE A  69
PHE A  81
ARG A  75
ILE A  54
 None
None
GLN  A 227 (-3.0A)
None
 1.32A 4zzcB-1wdnA:
undetectable
4zzcC-1wdnA:
undetectable		 4zzcB-1wdnA:
21.78
4zzcC-1wdnA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		4 / 7 SER A 231
ASP A 174
ARG A 180
GLY A 190
 None
GLN  A 501 (-4.5A)
None
None
 1.00A 5btfA-2f2aA:
undetectable
5btfC-2f2aA:
undetectable
5btfD-2f2aA:
undetectable		 5btfA-2f2aA:
21.97
5btfC-2f2aA:
21.97
5btfD-2f2aA:
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.
5CDQ_F_MFXF2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
(Staphylococcus
aureus) 		4 / 6 SER A 231
ASP A 174
ARG A 180
GLY A 190
 None
GLN  A 501 (-4.5A)
None
None
 0.83A 5cdqA-2f2aA:
0.6
5cdqC-2f2aA:
undetectable
5cdqD-2f2aA:
undetectable		 5cdqA-2f2aA:
22.59
5cdqC-2f2aA:
22.59
5cdqD-2f2aA:
16.87
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.
5ESL_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1wdn GLUTAMINE BINDING
PROTEIN
(Escherichia
coli) 		5 / 12 GLY A 119
TYR A  86
ILE A 216
GLY A  26
HIS A 156
 GLN  A 227 (-3.9A)
None
None
None
GLN  A 227 (-4.0A)
 1.18A 5eslA-1wdnA:
undetectable		 5eslA-1wdnA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHZ_A_REAA602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		5 / 12 ILE A 180
ARG A 176
THR A 151
PHE A 100
MET A 102
 None
None
GLN  A 501 (-4.4A)
None
None
 1.22A 5fhzA-4n0iA:
undetectable		 5fhzA-4n0iA:
23.35
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.
5FHZ_B_REAB602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		5 / 9 ILE A 153
THR A 193
GLN A 146
LEU A 186
LEU A 257
 ILE  A 153 ( 0.6A)
THR  A 193 ( 0.8A)
GLN  A 146 ( 0.6A)
LEU  A 186 ( 0.5A)
LEU  A 257 ( 0.6A)
 1.37A 5fhzB-5hiuA:
undetectable		 5fhzB-5hiuA:
22.09
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.
5HBS_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 5l5n PLEXIN-A4
(Mus
musculus) 		4 / 8 LEU A 444
LEU A 493
THR A 471
GLN A 511
 LEU  A 444 ( 0.5A)
LEU  A 493 ( 0.5A)
THR  A 471 ( 0.8A)
GLN  A 511 ( 0.6A)
 1.19A 5hbsA-5l5nA:
undetectable		 5hbsA-5l5nA:
7.73
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.
5HG0_A_SAMA301_0
(PANTOTHENATE
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		5 / 12 HIS B  48
GLY B  50
GLN B 179
ASP B 200
THR B 229
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
GLN  B 179 ( 0.6A)
ASP  B 200 ( 0.6A)
THR  B 229 ( 0.8A)
 1.03A 5hg0A-4oudB:
6.8		 5hg0A-4oudB:
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.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		5 / 11 SER A 154
GLY A 148
VAL A 189
SER A 131
ILE A  55
 GLN  A 501 (-1.2A)
None
None
None
None
 1.17A 5i3cC-4n0iA:
undetectable		 5i3cC-4n0iA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IMS_B_ACTB713_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		3 / 3 GLY H 130
GLN H  13
LYS L  65
 GLY  H 130 ( 0.0A)
GLN  H  13 ( 0.6A)
LYS  L  65 ( 0.0A)
 0.94A 5imsB-5gruH:
undetectable		 5imsB-5gruH:
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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		 1it2 HEMOGLOBIN
(Eptatretus
burgeri) 		3 / 3 LYS A  78
GLN A  89
ASN A  88
 LYS  A  78 (-0.0A)
GLN  A  89 ( 0.6A)
ASN  A  88 ( 0.6A)
 0.99A 5l2tA-1it2A:
undetectable		 5l2tA-1it2A:
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.
5M5K_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lmi UNCHARACTERIZED
PROTEIN
(Kribbella
flavida) 		4 / 4 GLN A   6
THR A   7
THR A  17
LEU A  30
 GLN  A   6 ( 0.6A)
THR  A   7 ( 0.8A)
THR  A  17 ( 0.8A)
LEU  A  30 ( 0.6A)
 1.37A 5m5kA-4lmiA:
undetectable		 5m5kA-4lmiA:
16.03
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.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 3ik5 PROTEIN NEF
(Simian
immunodeficiency
virus) 		3 / 3 ALA A 116
GLN A 157
THR A 170
 ALA  A 116 ( 0.0A)
GLN  A 157 ( 0.6A)
THR  A 170 ( 0.8A)
 0.57A 5n0oA-3ik5A:
undetectable		 5n0oA-3ik5A:
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.
5N0R_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		4 / 4 SER A 235
ALA A 232
GLN A 155
THR A  44
 SER  A 235 ( 0.0A)
ALA  A 232 ( 0.0A)
GLN  A 155 ( 0.6A)
THR  A  44 ( 0.8A)
 1.46A 5n0rA-1wsvA:
undetectable		 5n0rA-1wsvA:
22.85
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.
5N0S_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		4 / 4 SER A 235
ALA A 232
GLN A 155
THR A  44
 SER  A 235 ( 0.0A)
ALA  A 232 ( 0.0A)
GLN  A 155 ( 0.6A)
THR  A  44 ( 0.8A)
 1.44A 5n0sA-1wsvA:
undetectable		 5n0sA-1wsvA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0W_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		4 / 4 SER A 235
ALA A 232
GLN A 155
THR A  44
 SER  A 235 ( 0.0A)
ALA  A 232 ( 0.0A)
GLN  A 155 ( 0.6A)
THR  A  44 ( 0.8A)
 1.46A 5n0wA-1wsvA:
undetectable		 5n0wA-1wsvA:
22.62
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.
5N0X_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		4 / 4 SER A 235
ALA A 232
GLN A 155
THR A  44
 SER  A 235 ( 0.0A)
ALA  A 232 ( 0.0A)
GLN  A 155 ( 0.6A)
THR  A  44 ( 0.8A)
 1.47A 5n0xA-1wsvA:
undetectable		 5n0xA-1wsvA:
22.62
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.
5NWU_A_ACAA18_1
(WTFP-TAG,GP41)		 2b92 INTERFERON-INDUCED
GUANYLATE-BINDING
PROTEIN 1
(Homo
sapiens) 		5 / 12 ALA A  59
GLY A  60
GLN A 254
GLU A 257
GLU A 256
 ALA  A  59 ( 0.0A)
GLY  A  60 ( 0.0A)
GLN  A 254 ( 0.6A)
GLU  A 257 ( 0.6A)
GLU  A 256 ( 0.6A)
 1.13A 5nwuA-2b92A:
undetectable		 5nwuA-2b92A:
7.59
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.
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)		 4lnf GLUTAMINE SYNTHETASE
(Bacillus
subtilis) 		5 / 12 LEU A 299
GLY A 241
GLU A 134
GLY A 243
ARG A 335
 None
None
GLN  A 503 (-3.0A)
GLN  A 503 ( 4.6A)
GLN  A 503 ( 4.8A)
 1.08A 5o4yD-4lnfA:
undetectable
5o4yE-4lnfA:
undetectable		 5o4yD-4lnfA:
2.11
5o4yE-4lnfA:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ODI_A_ACTA701_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 1ct9 ASPARAGINE
SYNTHETASE B
(Escherichia
coli) 		3 / 3 LYS A   1
LYS A 390
SER A 393
 GLN  A1106 (-4.9A)
None
None
 0.94A 5odiA-1ct9A:
undetectable		 5odiA-1ct9A:
21.19
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.
5OV9_B_CVIB603_0
(ACETYLCHOLINESTERASE)		 1szb MANNOSE BINDING
LECTIN-ASSOCIATED
SERINE PROTEASE-2
RELATED PROTEIN,
MAP19 (19KDA)
(Homo
sapiens) 		4 / 7 TYR A  59
GLN A  77
ASP A  50
TYR A 106
 TYR  A  59 ( 1.3A)
GLN  A  77 ( 0.6A)
ASP  A  50 ( 0.6A)
TYR  A 106 ( 1.3A)
 1.37A 5ov9B-1szbA:
undetectable		 5ov9B-1szbA:
17.54
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.
5QGG_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		4 / 4 VAL A 139
VAL A 108
TYR A 120
GLN A 122
 VAL  A 139 ( 0.6A)
VAL  A 108 ( 0.5A)
TYR  A 120 ( 1.3A)
GLN  A 122 ( 0.6A)
 1.05A 5qggA-5nksA:
undetectable		 5qggA-5nksA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGG_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6ezy -
(-) 		4 / 4 VAL A  57
VAL A  56
TYR A   6
GLN A  48
 VAL  A  57 ( 0.6A)
VAL  A  56 ( 0.6A)
TYR  A   6 ( 1.3A)
GLN  A  48 ( 0.6A)
 1.11A 5qggA-6ezyA:
undetectable		 5qggA-6ezyA:
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.
5QGJ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens;
Homo
sapiens) 		3 / 3 VAL B  60
VAL B  57
GLN A 127
 VAL  B  60 ( 0.6A)
VAL  B  57 ( 0.6A)
GLN  A 127 ( 0.6A)
 0.62A 5qgjA-6c0wB:
undetectable		 5qgjA-6c0wB:
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.
5QGM_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens;
Homo
sapiens) 		3 / 3 VAL B  60
VAL B  57
GLN A 127
 VAL  B  60 ( 0.6A)
VAL  B  57 ( 0.6A)
GLN  A 127 ( 0.6A)
 0.62A 5qgmA-6c0wB:
undetectable		 5qgmA-6c0wB:
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.
5QGN_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens;
Homo
sapiens) 		3 / 3 VAL B  60
VAL B  57
GLN A 127
 VAL  B  60 ( 0.6A)
VAL  B  57 ( 0.6A)
GLN  A 127 ( 0.6A)
 0.63A 5qgnA-6c0wB:
undetectable		 5qgnA-6c0wB:
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.
5QGO_A_ACTA302_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		4 / 4 VAL A 139
VAL A 108
TYR A 120
GLN A 122
 VAL  A 139 ( 0.6A)
VAL  A 108 ( 0.5A)
TYR  A 120 ( 1.3A)
GLN  A 122 ( 0.6A)
 1.04A 5qgoA-5nksA:
undetectable		 5qgoA-5nksA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGO_A_ACTA302_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6ezy -
(-) 		4 / 4 VAL A  57
VAL A  56
TYR A   6
GLN A  48
 VAL  A  57 ( 0.6A)
VAL  A  56 ( 0.6A)
TYR  A   6 ( 1.3A)
GLN  A  48 ( 0.6A)
 1.14A 5qgoA-6ezyA:
undetectable		 5qgoA-6ezyA:
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.
5QGP_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		4 / 4 VAL A 139
VAL A 108
TYR A 120
GLN A 122
 VAL  A 139 ( 0.6A)
VAL  A 108 ( 0.5A)
TYR  A 120 ( 1.3A)
GLN  A 122 ( 0.6A)
 1.05A 5qgpA-5nksA:
undetectable		 5qgpA-5nksA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGQ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		4 / 4 VAL A 139
VAL A 108
TYR A 120
GLN A 122
 VAL  A 139 ( 0.6A)
VAL  A 108 ( 0.5A)
TYR  A 120 ( 1.3A)
GLN  A 122 ( 0.6A)
 1.06A 5qgqA-5nksA:
undetectable		 5qgqA-5nksA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGY_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens;
Homo
sapiens) 		3 / 3 VAL B  60
VAL B  57
GLN A 127
 VAL  B  60 ( 0.6A)
VAL  B  57 ( 0.6A)
GLN  A 127 ( 0.6A)
 0.64A 5qgyA-6c0wB:
undetectable		 5qgyA-6c0wB:
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.
5QGZ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens;
Homo
sapiens) 		3 / 3 VAL B  60
VAL B  57
GLN A 127
 VAL  B  60 ( 0.6A)
VAL  B  57 ( 0.6A)
GLN  A 127 ( 0.6A)
 0.65A 5qgzA-6c0wB:
undetectable		 5qgzA-6c0wB:
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.
5QH0_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens;
Homo
sapiens) 		3 / 3 VAL B  60
VAL B  57
GLN A 127
 VAL  B  60 ( 0.6A)
VAL  B  57 ( 0.6A)
GLN  A 127 ( 0.6A)
 0.65A 5qh0A-6c0wB:
undetectable		 5qh0A-6c0wB:
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.
5QH2_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens;
Homo
sapiens) 		3 / 3 VAL B  60
VAL B  57
GLN A 127
 VAL  B  60 ( 0.6A)
VAL  B  57 ( 0.6A)
GLN  A 127 ( 0.6A)
 0.66A 5qh2A-6c0wB:
undetectable		 5qh2A-6c0wB:
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.
5QH3_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens;
Homo
sapiens) 		3 / 3 VAL B  60
VAL B  57
GLN A 127
 VAL  B  60 ( 0.6A)
VAL  B  57 ( 0.6A)
GLN  A 127 ( 0.6A)
 0.65A 5qh3A-6c0wB:
undetectable		 5qh3A-6c0wB:
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.
5QH5_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens;
Homo
sapiens) 		3 / 3 VAL B  60
VAL B  57
GLN A 127
 VAL  B  60 ( 0.6A)
VAL  B  57 ( 0.6A)
GLN  A 127 ( 0.6A)
 0.64A 5qh5A-6c0wB:
undetectable		 5qh5A-6c0wB:
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.
5QH6_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens;
Homo
sapiens) 		3 / 3 VAL B  60
VAL B  57
GLN A 127
 VAL  B  60 ( 0.6A)
VAL  B  57 ( 0.6A)
GLN  A 127 ( 0.6A)
 0.68A 5qh6A-6c0wB:
undetectable		 5qh6A-6c0wB:
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.
5QH7_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens;
Homo
sapiens) 		3 / 3 VAL B  60
VAL B  57
GLN A 127
 VAL  B  60 ( 0.6A)
VAL  B  57 ( 0.6A)
GLN  A 127 ( 0.6A)
 0.63A 5qh7A-6c0wB:
undetectable		 5qh7A-6c0wB:
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.
5QHA_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens;
Homo
sapiens) 		3 / 3 VAL B  60
VAL B  57
GLN A 127
 VAL  B  60 ( 0.6A)
VAL  B  57 ( 0.6A)
GLN  A 127 ( 0.6A)
 0.67A 5qhaA-6c0wB:
undetectable		 5qhaA-6c0wB:
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.
5QHB_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		4 / 4 VAL A 139
VAL A 108
TYR A 120
GLN A 122
 VAL  A 139 ( 0.6A)
VAL  A 108 ( 0.5A)
TYR  A 120 ( 1.3A)
GLN  A 122 ( 0.6A)
 1.08A 5qhbA-5nksA:
undetectable		 5qhbA-5nksA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QHH_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens;
Homo
sapiens) 		3 / 3 VAL B  60
VAL B  57
GLN A 127
 VAL  B  60 ( 0.6A)
VAL  B  57 ( 0.6A)
GLN  A 127 ( 0.6A)
 0.65A 5qhhA-6c0wB:
undetectable		 5qhhA-6c0wB:
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.
5UC3_A_486A801_2
(GLUCOCORTICOID
RECEPTOR)		 5l5n PLEXIN-A4
(Mus
musculus) 		4 / 5 LEU A 382
LEU A 412
MET A 417
GLN A 259
 LEU  A 382 ( 0.5A)
LEU  A 412 ( 0.5A)
MET  A 417 ( 0.0A)
GLN  A 259 ( 0.6A)
 1.46A 5uc3A-5l5nA:
undetectable		 5uc3A-5l5nA:
5.06
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.
5UHB_C_RFPC1201_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 LEU A 293
GLN A 296
SER A 290
ASN A 214
ILE A 216
 LEU  A 293 ( 0.6A)
GLN  A 296 ( 0.6A)
SER  A 290 (-0.0A)
ASN  A 214 ( 0.6A)
ILE  A 216 (-0.7A)
 1.21A 5uhbC-1omoA:
2.1		 5uhbC-1omoA:
15.80
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.
5UUN_A_ACTA309_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 4g4p AMINO ACID ABC
TRANSPORTER, AMINO
ACID-BINDING/PERMEAS
E PROTEIN
(Enterococcus
faecalis) 		4 / 4 LEU A 111
GLY A 110
SER A 204
SER A  91
 None
None
None
GLN  A 302 (-2.9A)
 1.28A 5uunA-4g4pA:
undetectable		 5uunA-4g4pA:
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.
5UUN_B_ACTB306_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 4g4p AMINO ACID ABC
TRANSPORTER, AMINO
ACID-BINDING/PERMEAS
E PROTEIN
(Enterococcus
faecalis) 		4 / 4 LEU A 111
GLY A 110
SER A 204
SER A  91
 None
None
None
GLN  A 302 (-2.9A)
 1.33A 5uunB-4g4pA:
undetectable		 5uunB-4g4pA:
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.
5VLM_C_CVIC301_1
(REGULATORY PROTEIN
TETR)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		4 / 7 GLN A 415
GLY A 413
ILE A 396
ASP A  57
 GLN  A 415 ( 0.6A)
GLY  A 413 ( 0.0A)
ILE  A 396 ( 0.7A)
ASP  A  57 ( 0.5A)
 1.16A 5vlmC-2vbfA:
undetectable		 5vlmC-2vbfA:
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.
5VUN_A_ACTA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		4 / 5 GLY A 379
GLN A 185
VAL A 384
SER A 181
 GLY  A 379 ( 0.0A)
GLN  A 185 ( 0.6A)
VAL  A 384 ( 0.6A)
SER  A 181 ( 0.0A)
 1.44A 5vunA-4mwtA:
undetectable		 5vunA-4mwtA:
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.
5WBV_A_SAMA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 4lnf GLUTAMINE SYNTHETASE
(Bacillus
subtilis) 		3 / 3 HIS A 245
GLU A 189
ASN A 240
 PO4  A 504 ( 3.1A)
GLN  A 503 ( 2.7A)
GLN  A 503 (-4.6A)
 0.98A 5wbvA-4lnfA:
undetectable		 5wbvA-4lnfA:
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.
5WBV_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 4lnf GLUTAMINE SYNTHETASE
(Bacillus
subtilis) 		3 / 3 HIS A 245
GLU A 189
ASN A 240
 PO4  A 504 ( 3.1A)
GLN  A 503 ( 2.7A)
GLN  A 503 (-4.6A)
 0.98A 5wbvB-4lnfA:
undetectable		 5wbvB-4lnfA:
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.
5X7P_B_ACRB1421_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		4 / 6 GLU A 246
TYR A 200
GLY A 225
GLY A 222
 GLN  A 400 ( 4.8A)
GLN  A 400 (-3.2A)
None
None
 0.74A 5x7pB-1sg9A:
undetectable		 5x7pB-1sg9A:
12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDH_A_DAHA60_1
(PUTATIVE CYTOCHROME
C)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		4 / 6 ASN A 206
VAL A 342
LEU A 315
GLN A 293
 ASN  A 206 ( 0.6A)
VAL  A 342 ( 0.5A)
LEU  A 315 ( 0.5A)
GLN  A 293 ( 0.6A)
 1.07A 5xdhA-4hneA:
undetectable
5xdhC-4hneA:
undetectable		 5xdhA-4hneA:
11.94
5xdhC-4hneA:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDH_C_DAHC60_1
(PUTATIVE CYTOCHROME
C)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		4 / 6 GLN A 293
ASN A 206
VAL A 342
LEU A 315
 GLN  A 293 ( 0.6A)
ASN  A 206 ( 0.6A)
VAL  A 342 ( 0.5A)
LEU  A 315 ( 0.5A)
 1.08A 5xdhA-4hneA:
undetectable
5xdhC-4hneA:
undetectable		 5xdhA-4hneA:
11.94
5xdhC-4hneA:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YW0_A_ACTA411_0
(UNCHARACTERIZED
PROTEIN KDOO)		 2cyy PUTATIVE HTH-TYPE
TRANSCRIPTIONAL
REGULATOR PH1519
(Pyrococcus
horikoshii) 		3 / 3 LYS A 108
LEU A  68
ARG A 110
 None
GLN  A1001 (-3.9A)
GLN  A1001 (-3.5A)
 0.75A 5yw0A-2cyyA:
undetectable		 5yw0A-2cyyA:
20.27
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.
5YW0_A_ACTA412_0
(UNCHARACTERIZED
PROTEIN KDOO)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		3 / 3 LYS A   1
ASN A 160
SER A 168
 GLN  A   1 ( 0.0A)
ASN  A 160 ( 0.6A)
SER  A 168 ( 0.0A)
 1.13A 5yw0A-5w0aA:
undetectable		 5yw0A-5w0aA:
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.
5ZJI_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 5f1q PERIPLASMIC
DIPEPTIDE TRANSPORT
PROTEIN
(Yersinia
pestis) 		5 / 10 PHE A  47
SER A  49
GLY A  50
ILE A 224
ALA A  55
 None
GLN  A 609 (-4.9A)
GLN  A 608 ( 3.2A)
None
None
 1.02A 5zjiA-5f1qA:
undetectable
5zjiJ-5f1qA:
undetectable		 5zjiA-5f1qA:
9.74
5zjiJ-5f1qA:
7.43
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.
6APH_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.05A 6aphA-2nvvA:
undetectable		 6aphA-2nvvA:
21.89
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.
6B89_B_NOVB403_1
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)		 2jrs RNA-BINDING PROTEIN
39
(Homo
sapiens) 		4 / 7 PHE A  75
ARG A  28
ALA A  84
GLN A  57
 PHE  A  75 ( 1.3A)
ARG  A  28 ( 0.6A)
ALA  A  84 ( 0.0A)
GLN  A  57 ( 0.6A)
 1.31A 6b89A-2jrsA:
undetectable		 6b89A-2jrsA:
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.
6CDU_A_EY4A502_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 7 ALA A 101
THR A 102
TYR A 103
GLN A 296
 ALA  A 101 ( 0.0A)
THR  A 102 ( 0.8A)
TYR  A 103 ( 1.3A)
GLN  A 296 ( 0.6A)
 0.68A 6cduA-1omoA:
0.0
6cduE-1omoA:
0.0		 6cduA-1omoA:
22.70
6cduE-1omoA:
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.
6CDU_E_EY4E500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 8 GLN A 296
ALA A 101
THR A 102
TYR A 103
 GLN  A 296 ( 0.6A)
ALA  A 101 ( 0.0A)
THR  A 102 ( 0.8A)
TYR  A 103 ( 1.3A)
 0.74A 6cduD-1omoA:
undetectable
6cduE-1omoA:
undetectable		 6cduD-1omoA:
22.70
6cduE-1omoA:
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.
6CDU_G_EY4G501_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 7 ILE A 286
GLN A 287
VAL A 309
ILE A 317
 ILE  A 286 ( 0.7A)
GLN  A 287 ( 0.6A)
VAL  A 309 ( 0.6A)
ILE  A 317 ( 0.7A)
 0.98A 6cduF-2nvvA:
undetectable
6cduG-2nvvA:
undetectable		 6cduF-2nvvA:
23.26
6cduG-2nvvA:
23.26
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.
6CDU_H_EY4H500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 7 GLN A 296
ALA A 101
THR A 102
TYR A 103
 GLN  A 296 ( 0.6A)
ALA  A 101 ( 0.0A)
THR  A 102 ( 0.8A)
TYR  A 103 ( 1.3A)
 0.67A 6cduH-1omoA:
undetectable
6cduI-1omoA:
undetectable		 6cduH-1omoA:
22.70
6cduI-1omoA:
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.
6D8P_A_ACTA810_0
(UNCHARACTERIZED
PROTEIN)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		4 / 6 TYR A 239
GLU A 242
GLN A 243
LYS A 246
 TYR  A 239 ( 1.3A)
GLU  A 242 ( 0.6A)
GLN  A 243 ( 0.6A)
LYS  A 246 ( 0.0A)
 1.02A 6d8pA-1fxjA:
0.0		 6d8pA-1fxjA:
18.22
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		4 / 6 TRP A  93
LEU A 223
TYR A 143
GLN A 137
 TRP  A  93 ( 0.5A)
LEU  A 223 ( 0.5A)
TYR  A 143 ( 1.3A)
GLN  A 137 ( 0.6A)
 1.39A 6djzC-3gnrA:
undetectable		 6djzC-3gnrA:
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.
6EBZ_B_DAHB123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 6gct NEUTRAL AMINO ACID
TRANSPORTER B(0)
(Homo
sapiens) 		5 / 11 PHE A 393
THR A 438
GLY A 434
ILE A 456
ILE A 453
 None
None
GLN  A 601 ( 4.8A)
None
None
 1.07A 6ebzB-6gctA:
undetectable		 6ebzB-6gctA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EBZ_C_DAHC123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 6gct NEUTRAL AMINO ACID
TRANSPORTER B(0)
(Homo
sapiens) 		5 / 11 PHE A 393
THR A 438
GLY A 434
ILE A 456
ILE A 453
 None
None
GLN  A 601 ( 4.8A)
None
None
 1.07A 6ebzC-6gctA:
undetectable		 6ebzC-6gctA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3N_A_ADNA505_2
(-)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 4 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.07A 6f3nA-2nvvA:
0.6		 6f3nA-2nvvA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3N_C_ADNC505_2
(-)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 4 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.07A 6f3nC-2nvvA:
undetectable		 6f3nC-2nvvA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3N_D_ADND506_2
(-)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 4 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.07A 6f3nD-2nvvA:
undetectable		 6f3nD-2nvvA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F6S_A_CXQA507_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 5 ALA A 383
TYR A 467
GLN A 382
ILE A 304
 ALA  A 383 ( 0.0A)
TYR  A 467 ( 1.3A)
GLN  A 382 ( 0.6A)
ILE  A 304 ( 0.7A)
 1.39A 6f6sA-2ogsA:
undetectable
6f6sB-2ogsA:
undetectable		 6f6sA-2ogsA:
10.41
6f6sB-2ogsA:
11.67
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.
6FBV_D_FI8D1904_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H
(Streptomyces
plicatus) 		4 / 8 ASP A 189
LYS A 187
VAL A  90
GLN A 106
 ASP  A 189 ( 0.6A)
LYS  A 187 ( 0.0A)
VAL  A  90 ( 0.6A)
GLN  A 106 ( 0.6A)
 1.24A 6fbvD-1c8xA:
0.0		 6fbvD-1c8xA:
12.06
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.
6G1P_A_ACTA403_0
(ADP-RIBOSYLHYDROLASE
LIKE 2)		 1gc7 RADIXIN
(Mus
musculus) 		3 / 3 TYR A 201
ASP A 197
GLN A 196
 TYR  A 201 ( 1.3A)
ASP  A 197 ( 0.6A)
GLN  A 196 ( 0.6A)
 0.61A 6g1pA-1gc7A:
0.0		 6g1pA-1gc7A:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G9B_B_IXXB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN
ENVELOPE
GLYCOPROTEIN)		 4rhy HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE
(Mycobacterium
tuberculosis) 		4 / 5 ARG A  77
ALA A  76
GLN A  34
ILE A  37
 ARG  A  77 ( 0.6A)
ALA  A  76 ( 0.0A)
GLN  A  34 ( 0.6A)
ILE  A  37 ( 0.7A)
 1.28A 6g9bA-4rhyA:
undetectable
6g9bB-4rhyA:
undetectable		 6g9bA-4rhyA:
20.93
6g9bB-4rhyA:
18.04
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.
6GB9_A_ACTA508_0
(MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		3 / 3 VAL A  24
ALA A 111
GLN A 296
 VAL  A  24 ( 0.6A)
ALA  A 111 ( 0.0A)
GLN  A 296 ( 0.6A)
 0.62A 6gb9A-1omoA:
undetectable		 6gb9A-1omoA:
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.
6GB9_A_ACTA508_0
(MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		3 / 3 VAL A 209
ALA A 211
GLN A 206
 VAL  A 209 ( 0.6A)
ALA  A 211 ( 0.0A)
GLN  A 206 ( 0.6A)
 0.69A 6gb9A-1rrvA:
4.4		 6gb9A-1rrvA:
26.16
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.
6GBN_A_ADNA501_2
(-)		 1wdn GLUTAMINE BINDING
PROTEIN
(Escherichia
coli) 		4 / 5 GLN A 184
THR A 118
HIS A 156
LEU A  90
 None
GLN  A 227 (-4.2A)
GLN  A 227 (-4.0A)
None
 1.39A 6gbnA-1wdnA:
undetectable		 6gbnA-1wdnA:
22.63
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.
6GBN_A_ADNA501_2
(-)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.02A 6gbnA-2nvvA:
undetectable		 6gbnA-2nvvA:
23.48
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.
6GBN_B_ADNB501_2
(-)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.03A 6gbnB-2nvvA:
undetectable		 6gbnB-2nvvA:
23.48
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.
6GBN_C_ADNC501_2
(-)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.02A 6gbnC-2nvvA:
undetectable		 6gbnC-2nvvA:
23.48
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.
6GBN_D_ADND501_2
(-)		 1wdn GLUTAMINE BINDING
PROTEIN
(Escherichia
coli) 		4 / 5 GLN A 184
THR A 118
HIS A 156
LEU A  90
 None
GLN  A 227 (-4.2A)
GLN  A 227 (-4.0A)
None
 1.40A 6gbnD-1wdnA:
undetectable		 6gbnD-1wdnA:
22.63
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.
6GBN_D_ADND501_2
(-)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 5 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.03A 6gbnD-2nvvA:
undetectable		 6gbnD-2nvvA:
23.48
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.
6HZP_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		 2qc5 STREPTOGRAMIN B
LACTONASE
(Staphylococcus
cohnii) 		4 / 8 ASN A 204
GLN A 247
ILE A 220
GLU A 259
 ASN  A 204 ( 0.6A)
GLN  A 247 ( 0.6A)
ILE  A 220 ( 0.7A)
GLU  A 259 ( 0.6A)
 1.08A 6hzpA-2qc5A:
undetectable		 6hzpA-2qc5A:
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.
6NMP_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1aoa T-FIMBRIN
(Homo
sapiens) 		4 / 5 LEU A 281
GLN A 308
PHE A 279
PHE A 292
 LEU  A 281 ( 0.6A)
GLN  A 308 ( 0.6A)
PHE  A 279 ( 1.3A)
PHE  A 292 ( 1.3A)
 1.29A 6nmpP-1aoaA:
0.1
6nmpW-1aoaA:
0.0		 6nmpP-1aoaA:
19.49
6nmpW-1aoaA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NQA_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		5 / 10 ASP A 127
GLY A 129
GLY A 131
ASN A 197
PHE A 228
 SAM  A 301 ( 4.9A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
GLN  A 400 ( 3.1A)
None
 1.12A 6nqaK-1sg9A:
8.0		 6nqaK-1sg9A:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NQA_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 1sg9 HEMK PROTEIN
(Thermotoga
maritima) 		5 / 10 THR A 106
ASP A 127
GLY A 129
ASN A 197
PHE A 228
 SAM  A 301 (-3.4A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.3A)
GLN  A 400 ( 3.1A)
None
 1.48A 6nqaK-1sg9A:
8.0		 6nqaK-1sg9A:
23.31