SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'PGO'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A8U_A_BEZA295_0
(CHLOROPEROXIDASE T)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		5 / 10 GLY A  26
PHE A  27
SER A  96
PHE A 159
HIS A 247
 PGO  A 601 ( 3.7A)
PGO  A 609 (-4.9A)
PGO  A 601 (-2.5A)
None
PGO  A 601 ( 4.7A)
 0.84A 1a8uA-1womA:
32.1		 1a8uA-1womA:
25.60
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.
1A8U_B_BEZB294_0
(CHLOROPEROXIDASE T)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		5 / 10 GLY A  26
PHE A  27
SER A  96
PHE A 159
HIS A 247
 PGO  A 601 ( 3.7A)
PGO  A 609 (-4.9A)
PGO  A 601 (-2.5A)
None
PGO  A 601 ( 4.7A)
 0.86A 1a8uB-1womA:
32.4		 1a8uB-1womA:
25.60
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.
1BX4_A_ADNA355_1
(PROTEIN (ADENOSINE
KINASE))		 3bf5 RIBOKINASE RELATED
PROTEIN
(Thermoplasma
acidophilum) 		6 / 12 THR A 196
GLY A 198
ALA A 225
GLY A 226
ALA A 254
ILE A 258
 PGO  A 290 (-4.0A)
PGO  A 290 (-3.8A)
PGO  A 290 ( 4.1A)
PGO  A 290 ( 4.6A)
PGO  A 290 ( 3.8A)
None
 0.76A 1bx4A-3bf5A:
21.1		 1bx4A-3bf5A:
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.
1JNO_A_DVAA6_0
(GRAMICIDIN A)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		3 / 3 ALA A  36
VAL A  33
TRP A  34
 PGO  A 604 ( 3.9A)
PGO  A 604 (-4.8A)
None
 0.82A 1jnoA-1womA:
undetectable		 1jnoA-1womA:
18.33
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.
1JNO_B_DVAB6_0
(GRAMICIDIN A)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		3 / 3 ALA A  36
VAL A  33
TRP A  34
 PGO  A 604 ( 3.9A)
PGO  A 604 (-4.8A)
None
 0.82A 1jnoB-1womA:
undetectable		 1jnoB-1womA:
18.33
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.
1JO3_A_DVAA6_0
(GRAMICIDIN B)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		3 / 3 ALA A  36
VAL A  33
TRP A  34
 PGO  A 604 ( 3.9A)
PGO  A 604 (-4.8A)
None
 0.91A 1jo3A-1womA:
undetectable		 1jo3A-1womA:
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.
1JO3_B_DVAB6_0
(GRAMICIDIN B)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		3 / 3 ALA A  36
VAL A  33
TRP A  34
 PGO  A 604 ( 3.9A)
PGO  A 604 (-4.8A)
None
 0.91A 1jo3B-1womA:
undetectable		 1jo3B-1womA:
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.
1LIK_A_ADNA799_1
(ADENOSINE KINASE)		 3bf5 RIBOKINASE RELATED
PROTEIN
(Thermoplasma
acidophilum) 		5 / 10 THR A 196
GLY A 198
ALA A 225
ALA A 254
ILE A 258
 PGO  A 290 (-4.0A)
PGO  A 290 (-3.8A)
PGO  A 290 ( 4.1A)
PGO  A 290 ( 3.8A)
None
 0.66A 1likA-3bf5A:
23.8		 1likA-3bf5A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MAG_A_DVAA6_0
(GRAMICIDIN A)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		3 / 3 ALA A  36
VAL A  33
TRP A  34
 PGO  A 604 ( 3.9A)
PGO  A 604 (-4.8A)
None
 0.92A 1magA-1womA:
undetectable		 1magA-1womA:
18.33
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.
1MAG_B_DVAB6_0
(GRAMICIDIN A)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		3 / 3 ALA A  36
VAL A  33
TRP A  34
 PGO  A 604 ( 3.9A)
PGO  A 604 (-4.8A)
None
 0.92A 1magB-1womA:
undetectable		 1magB-1womA:
18.33
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.
1MJQ_B_SAMB200_0
(METHIONINE REPRESSOR)		 5i2g DIOL DEHYDRATASE
(Roseburia
inulinivorans) 		5 / 11 GLU A 440
GLY A 437
GLU A 527
LEU A 276
HIS A 283
 PGO  A 901 (-2.8A)
PGO  A 901 (-3.3A)
None
None
PGO  A 901 (-4.0A)
 1.46A 1mjqA-5i2gA:
0.1
1mjqB-5i2gA:
undetectable		 1mjqA-5i2gA:
10.49
1mjqB-5i2gA:
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.
1NG8_A_DVAA6_0
(GRAMICIDIN A)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		3 / 3 ALA A  36
VAL A  33
TRP A  34
 PGO  A 604 ( 3.9A)
PGO  A 604 (-4.8A)
None
 0.85A 1ng8A-1womA:
undetectable		 1ng8A-1womA:
7.19
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.
1NG8_B_DVAB6_0
(GRAMICIDIN A)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		3 / 3 ALA A  36
VAL A  33
TRP A  34
 PGO  A 604 ( 3.9A)
PGO  A 604 (-4.8A)
None
 0.85A 1ng8B-1womA:
undetectable		 1ng8B-1womA:
7.19
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.
1NRM_A_DVAA6_0
(GRAMICIDIN A)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		3 / 3 ALA A  36
VAL A  33
TRP A  34
 PGO  A 604 ( 3.9A)
PGO  A 604 (-4.8A)
None
 0.89A 1nrmA-1womA:
undetectable		 1nrmA-1womA:
18.33
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.
1NRM_B_DVAB6_0
(GRAMICIDIN A)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		3 / 3 ALA A  36
VAL A  33
TRP A  34
 PGO  A 604 ( 3.9A)
PGO  A 604 (-4.8A)
None
 0.89A 1nrmB-1womA:
undetectable		 1nrmB-1womA:
18.33
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.
1NRU_A_DVAA6_0
(GRAMICIDIN A)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		3 / 3 ALA A  36
VAL A  33
TRP A  34
 PGO  A 604 ( 3.9A)
PGO  A 604 (-4.8A)
None
 0.89A 1nruA-1womA:
undetectable		 1nruA-1womA:
18.33
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.
1NRU_B_DVAB6_0
(GRAMICIDIN A)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		3 / 3 ALA A  36
VAL A  33
TRP A  34
 PGO  A 604 ( 3.9A)
PGO  A 604 (-4.8A)
None
 0.89A 1nruB-1womA:
undetectable		 1nruB-1womA:
18.33
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.
1PG2_A_ADNA552_1
(METHIONYL-TRNA
SYNTHETASE)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		5 / 11 ALA A  24
HIS A 247
GLY A 120
HIS A  95
ILE A 101
 None
PGO  A 601 ( 4.7A)
None
PGO  A 601 ( 4.8A)
None
 1.01A 1pg2A-1womA:
2.3		 1pg2A-1womA:
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.
1XF1_A_ACTA1107_0
(C5A PEPTIDASE)		 3vpq GLUTATHIONE
S-TRANSFERASE SIGMA
(Bombyx
mori) 		4 / 5 LEU A 137
GLY A 142
HIS A 143
ILE A 144
 None
PGO  A 311 (-3.2A)
PGO  A 311 ( 4.1A)
None
 0.81A 1xf1A-3vpqA:
undetectable		 1xf1A-3vpqA:
12.26
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.
1XF1_B_ACTB1108_0
(C5A PEPTIDASE)		 3vpq GLUTATHIONE
S-TRANSFERASE SIGMA
(Bombyx
mori) 		4 / 6 LEU A 137
GLY A 142
HIS A 143
ILE A 144
 None
PGO  A 311 (-3.2A)
PGO  A 311 ( 4.1A)
None
 0.85A 1xf1B-3vpqA:
undetectable		 1xf1B-3vpqA:
12.26
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.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 9 LEU A  19
VAL A  27
LEU A  79
LEU A  91
LEU A  95
 4RB  A 401 ( 3.9A)
4RB  A 401 ( 4.4A)
PGO  A 501 ( 4.6A)
None
4RB  A 401 (-4.4A)
 0.47A 1xkkA-3bqrA:
20.9		 1xkkA-3bqrA:
24.86
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.
2C49_B_ADNB1301_1
(SUGAR KINASE MJ0406)		 3bf5 RIBOKINASE RELATED
PROTEIN
(Thermoplasma
acidophilum) 		5 / 7 HIS A   9
ASP A  13
GLY A  37
GLY A  38
ASN A  42
 PGO  A 288 ( 4.9A)
None
None
None
None
 0.72A 2c49B-3bf5A:
31.2		 2c49B-3bf5A:
27.55
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.
2HA4_A_ACHA546_0
(ACETYLCHOLINESTERASE)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		4 / 8 TYR A  52
TYR A 125
HIS A  95
GLY A 120
 None
None
PGO  A 601 ( 4.8A)
None
 1.11A 2ha4A-1womA:
11.4		 2ha4A-1womA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		4 / 7 TYR A  52
TYR A 125
HIS A  95
GLY A 120
 None
None
PGO  A 601 ( 4.8A)
None
 1.10A 2ha4B-1womA:
11.5		 2ha4B-1womA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HMY_B_SAMB328_0
(PROTEIN
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI))		 3ixq RIBOSE-5-PHOSPHATE
ISOMERASE A
(Methanocaldococc
us
jannaschii) 		5 / 12 PHE A  82
GLY A  84
GLY A  29
ILE A  80
LEU A  17
 None
PGO  A 233 (-3.3A)
PGO  A 232 (-3.4A)
None
None
 1.01A 2hmyB-3ixqA:
undetectable		 2hmyB-3ixqA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		4 / 7 ALA A 222
TYR A 125
MET A 118
HIS A 247
 None
None
None
PGO  A 601 ( 4.7A)
 1.48A 2pncA-1womA:
undetectable		 2pncA-1womA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFS_A_J01A600_1
(ORF12)		 1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT
(Klebsiella
oxytoca) 		5 / 10 SER A 377
ALA A 142
GLY A 363
SER A 361
PHE A 166
 None
None
PGO  A2602 ( 4.2A)
None
None
 1.39A 2xfsA-1uc4A:
0.0		 2xfsA-1uc4A:
22.53
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.
3AI8_B_HNQB255_1
(CATHEPSIN B)		 5i2g DIOL DEHYDRATASE
(Roseburia
inulinivorans) 		4 / 6 GLN A 554
GLY A 692
HIS A 166
CYH A 438
 None
None
PGO  A 901 (-4.0A)
PGO  A 901 (-3.6A)
 1.40A 3ai8B-5i2gA:
undetectable		 3ai8B-5i2gA:
15.82
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.
3AQI_B_CHDB6_0
(FERROCHELATASE)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		5 / 12 MET A 251
LEU A 176
PHE A 180
ILE A 221
SER A  32
 PGO  A 604 (-4.6A)
None
None
None
None
 1.29A 3aqiB-1womA:
0.0		 3aqiB-1womA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 3pas TETR FAMILY
TRANSCRIPTION
REGULATOR
(Marinobacter
hydrocarbonoclas
ticus) 		5 / 12 GLN A  87
LEU A  84
LEU A  80
ALA A  70
ALA A 132
 None
None
None
None
PGO  A 216 ( 4.6A)
 1.11A 3b0wA-3pasA:
2.2		 3b0wA-3pasA:
23.83
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.
3BOG_C_DHIC8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 3ixq RIBOSE-5-PHOSPHATE
ISOMERASE A
(Methanocaldococc
us
jannaschii) 		3 / 3 SER A  56
GLY A  27
GLY A  29
 None
None
PGO  A 232 (-3.4A)
 0.48A 3bogA-3ixqA:
undetectable
3bogC-3ixqA:
undetectable		 3bogA-3ixqA:
undetectable
3bogC-3ixqA:
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.
3ELZ_A_CHDA150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2e7y TRNASE Z
(Thermotoga
maritima) 		5 / 12 TRP A  14
VAL A  51
VAL A  38
LEU A  34
THR A  33
 PGO  A 601 (-3.8A)
None
None
None
PGO  A 601 (-3.8A)
 1.20A 3elzA-2e7yA:
undetectable		 3elzA-2e7yA:
21.43
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.
3G1U_C_ADNC438_2
(ADENOSYLHOMOCYSTEINA
SE)		 1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT
(Klebsiella
oxytoca) 		4 / 5 GLN A 169
THR A 199
THR A 222
HIS A 143
 None
None
NH4  A2605 (-4.2A)
PGO  A2602 (-4.0A)
 1.13A 3g1uC-1uc4A:
undetectable		 3g1uC-1uc4A:
21.82
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		 1ex0 COAGULATION FACTOR
XIII A CHAIN
(Homo
sapiens) 		4 / 6 SER A 263
ALA A 264
ARG A 260
LEU A 325
 None
None
PGO  A1340 (-4.3A)
None
 0.85A 3ravA-1ex0A:
undetectable		 3ravA-1ex0A:
14.22
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.
3SUD_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 PHE A 254
TYR A 248
GLY A 251
GLY A 204
ALA A 201
 PGO  A 390 (-4.8A)
None
None
None
None
 1.10A 3sudB-1rrmA:
undetectable		 3sudB-1rrmA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_C_SUEC1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 3vpq GLUTATHIONE
S-TRANSFERASE SIGMA
(Bombyx
mori) 		4 / 5 PHE A 128
ILE A 136
LEU A 133
LYS A 132
 None
PGO  A 303 ( 4.3A)
None
PGO  A 309 (-2.7A)
 1.26A 3sueC-3vpqA:
undetectable		 3sueC-3vpqA:
18.45
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		5 / 12 ARG A 179
SER A  96
PHE A 180
PHE A 196
ALA A 195
 PGO  A 604 (-4.5A)
PGO  A 601 (-2.5A)
None
None
None
 1.33A 3ua1A-1womA:
0.0		 3ua1A-1womA:
20.08
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.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 3ixq RIBOSE-5-PHOSPHATE
ISOMERASE A
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A 180
ILE A 178
GLU A 106
ASP A  86
PHE A 133
 None
None
CL  A 231 ( 3.0A)
PGO  A 233 (-3.4A)
None
 1.42A 4b9zA-3ixqA:
undetectable		 4b9zA-3ixqA:
15.18
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.
4IFG_A_1E8A601_1
(CALMODULIN-DOMAIN
PROTEIN KINASE 1)		 3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3
(Homo
sapiens) 		8 / 12 GLY A  20
VAL A  27
ALA A  40
LEU A  79
LEU A  91
GLY A  99
GLU A 100
ILE A 160
 4RB  A 401 (-3.6A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
PGO  A 501 ( 4.6A)
None
None
4RB  A 401 (-3.8A)
4RB  A 401 (-3.5A)
 0.46A 4ifgA-3bqrA:
25.0		 4ifgA-3bqrA:
23.83
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.
4LVC_B_ADNB501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 4fvl COLLAGENASE 3
(Homo
sapiens) 		4 / 5 GLN A 401
THR A 394
LEU A 373
LEU A 375
 PGO  A 522 (-2.9A)
None
None
None
 0.85A 4lvcB-4fvlA:
undetectable		 4lvcB-4fvlA:
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.
4NJI_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT
(Klebsiella
oxytoca) 		5 / 12 GLU A 329
GLU A 170
GLU A 168
LYS A 255
GLN A 293
 None
PGO  A2602 ( 2.6A)
None
None
None
 1.44A 4njiB-1uc4A:
1.3		 4njiB-1uc4A:
16.97
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.
4NJK_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT
(Klebsiella
oxytoca) 		5 / 12 GLU A 329
GLU A 170
GLU A 168
LYS A 255
GLN A 293
 None
PGO  A2602 ( 2.6A)
None
None
None
 1.43A 4njkB-1uc4A:
1.3		 4njkB-1uc4A:
16.97
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.
4PFJ_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		4 / 6 GLU A 147
THR A 149
GLN A 101
THR A 199
 None
PGO  A 390 ( 4.3A)
None
None
 1.03A 4pfjB-1rrmA:
3.7		 4pfjB-1rrmA:
23.75
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.
4R1Z_B_AERB601_1
(CYP17A1 PROTEIN)		 3wic GLUCOSE
1-DEHYDROGENASE
(Thermoplasma
volcanium) 		4 / 7 ALA A  70
GLY A 121
ALA A 120
GLU A 119
 None
None
PGO  A1003 ( 3.8A)
None
 0.87A 4r1zB-3wicA:
undetectable		 4r1zB-3wicA:
21.82
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.
4X1K_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 5i2g DIOL DEHYDRATASE
(Roseburia
inulinivorans) 		4 / 4 ASN A 756
SER A 819
ALA A 816
VAL A 696
 None
None
None
PGO  A 901 (-4.3A)
 1.16A 4x1kC-5i2gA:
undetectable		 4x1kC-5i2gA:
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.
4XDT_A_ACTA409_0
(FAD:PROTEIN FMN
TRANSFERASE)		 1hqs ISOCITRATE
DEHYDROGENASE
(Bacillus
subtilis) 		4 / 5 ILE A 383
VAL A 367
ILE A 363
VAL A 382
 PGO  A 902 ( 4.3A)
None
None
None
 0.74A 4xdtA-1hqsA:
0.0		 4xdtA-1hqsA:
23.41
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.
4YMG_B_SAMB1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT
(Klebsiella
oxytoca) 		5 / 12 TYR A 364
SER A 365
SER A 202
ALA A 174
ASN A 182
 None
None
PGO  A2602 ( 4.6A)
None
None
 1.29A 4ymgB-1uc4A:
undetectable		 4ymgB-1uc4A:
18.73
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.
5E4D_B_BEZB201_0
(HYDROXYNITRILE LYASE)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		5 / 11 VAL A  91
VAL A 117
VAL A  93
PHE A  23
LEU A 265
 None
None
None
None
PGO  A 611 (-4.4A)
 1.10A 5e4dB-1womA:
undetectable		 5e4dB-1womA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		 5i2g DIOL DEHYDRATASE
(Roseburia
inulinivorans) 		5 / 9 HIS A 283
GLY A 163
GLY A 282
ASP A 452
HIS A 166
 PGO  A 901 (-4.0A)
None
None
PGO  A 901 (-3.5A)
PGO  A 901 (-4.0A)
 1.40A 5f8yA-5i2gA:
undetectable		 5f8yA-5i2gA:
10.68
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		 5i2g DIOL DEHYDRATASE
(Roseburia
inulinivorans) 		5 / 8 HIS A 283
GLY A 163
GLY A 282
ASP A 452
HIS A 166
 PGO  A 901 (-4.0A)
None
None
PGO  A 901 (-3.5A)
PGO  A 901 (-4.0A)
 1.45A 5f8yA-5i2gA:
undetectable		 5f8yA-5i2gA:
10.68
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.
5F8Y_A_X6XA203_1
(GALNAC/GAL-SPECIFIC
LECTIN)		 5i2g DIOL DEHYDRATASE
(Roseburia
inulinivorans) 		5 / 9 HIS A 283
GLY A 163
GLY A 282
ASP A 452
HIS A 166
 PGO  A 901 (-4.0A)
None
None
PGO  A 901 (-3.5A)
PGO  A 901 (-4.0A)
 1.44A 5f8yA-5i2gA:
undetectable		 5f8yA-5i2gA:
10.68
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.
5F8Y_B_X6XB201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		 5i2g DIOL DEHYDRATASE
(Roseburia
inulinivorans) 		5 / 8 HIS A 283
GLY A 163
GLY A 282
ASP A 452
HIS A 166
 PGO  A 901 (-4.0A)
None
None
PGO  A 901 (-3.5A)
PGO  A 901 (-4.0A)
 1.49A 5f8yB-5i2gA:
undetectable		 5f8yB-5i2gA:
10.68
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.
5F8Y_B_X6XB202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		 5i2g DIOL DEHYDRATASE
(Roseburia
inulinivorans) 		5 / 9 HIS A 283
GLY A 163
GLY A 282
ASP A 452
HIS A 166
 PGO  A 901 (-4.0A)
None
None
PGO  A 901 (-3.5A)
PGO  A 901 (-4.0A)
 1.41A 5f8yB-5i2gA:
undetectable		 5f8yB-5i2gA:
10.68
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.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)		 5i2g DIOL DEHYDRATASE
(Roseburia
inulinivorans) 		5 / 12 LEU A 829
GLY A 337
VAL A 700
PHE A 344
SER A 380
 None
None
None
PGO  A 901 (-3.4A)
None
 1.04A 5f9zA-5i2gA:
undetectable		 5f9zA-5i2gA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		 3bf5 RIBOKINASE RELATED
PROTEIN
(Thermoplasma
acidophilum) 		3 / 3 MET A 106
HIS A   9
GLY A 109
 None
PGO  A 288 ( 4.9A)
None
 0.86A 5gwzB-3bf5A:
undetectable		 5gwzB-3bf5A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 7 GLY A  22
LEU A  79
ASP A 161
PHE A 162
 None
PGO  A 501 ( 4.6A)
GOL  A 503 ( 3.1A)
None
 0.82A 5hieB-3bqrA:
21.5		 5hieB-3bqrA:
26.43
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.
5KB6_A_ADNA401_1
(ADENOSINE KINASE)		 3bf5 RIBOKINASE RELATED
PROTEIN
(Thermoplasma
acidophilum) 		5 / 12 GLY A 198
ALA A 225
GLY A 226
ALA A 254
ILE A 258
 PGO  A 290 (-3.8A)
PGO  A 290 ( 4.1A)
PGO  A 290 ( 4.6A)
PGO  A 290 ( 3.8A)
None
 0.57A 5kb6A-3bf5A:
22.4		 5kb6A-3bf5A:
21.26
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.
5KB6_A_ADNA401_1
(ADENOSINE KINASE)		 3bf5 RIBOKINASE RELATED
PROTEIN
(Thermoplasma
acidophilum) 		5 / 12 THR A 196
GLY A 198
ALA A 225
GLY A 226
ALA A 254
 PGO  A 290 (-4.0A)
PGO  A 290 (-3.8A)
PGO  A 290 ( 4.1A)
PGO  A 290 ( 4.6A)
PGO  A 290 ( 3.8A)
 0.51A 5kb6A-3bf5A:
22.4		 5kb6A-3bf5A:
21.26
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.
5KB6_B_ADNB401_1
(ADENOSINE KINASE)		 3bf5 RIBOKINASE RELATED
PROTEIN
(Thermoplasma
acidophilum) 		5 / 12 GLY A 198
ALA A 225
GLY A 226
ALA A 254
ILE A 258
 PGO  A 290 (-3.8A)
PGO  A 290 ( 4.1A)
PGO  A 290 ( 4.6A)
PGO  A 290 ( 3.8A)
None
 0.54A 5kb6B-3bf5A:
22.6		 5kb6B-3bf5A:
21.26
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.
5KB6_B_ADNB401_1
(ADENOSINE KINASE)		 3bf5 RIBOKINASE RELATED
PROTEIN
(Thermoplasma
acidophilum) 		5 / 12 THR A 196
GLY A 198
ALA A 225
GLY A 226
ALA A 254
 PGO  A 290 (-4.0A)
PGO  A 290 (-3.8A)
PGO  A 290 ( 4.1A)
PGO  A 290 ( 4.6A)
PGO  A 290 ( 3.8A)
 0.50A 5kb6B-3bf5A:
22.6		 5kb6B-3bf5A:
21.26
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.
5UC1_A_486A801_2
(GLUCOCORTICOID
RECEPTOR)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		3 / 3 TRP A 155
MET A 147
ASN A 151
 None
PGO  A 612 ( 4.2A)
None
 1.45A 5uc1B-1womA:
undetectable		 5uc1B-1womA:
13.70
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.
5V0V_A_8QSA615_1
(SERUM ALBUMIN)		 1hqs ISOCITRATE
DEHYDROGENASE
(Bacillus
subtilis) 		4 / 8 LEU A  42
VAL A 367
LEU A 418
ILE A 383
 None
None
None
PGO  A 902 ( 4.3A)
 1.02A 5v0vA-1hqsA:
undetectable		 5v0vA-1hqsA:
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.
5WWS_A_SAMA501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		5 / 12 ALA A 222
PRO A 223
GLY A 134
GLY A  26
LEU A 176
 None
None
None
PGO  A 601 ( 3.7A)
None
 0.93A 5wwsA-1womA:
undetectable		 5wwsA-1womA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WWS_A_SAMA501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		5 / 12 ALA A 222
PRO A 223
GLY A 135
GLY A  26
LEU A 176
 None
None
None
PGO  A 601 ( 3.7A)
None
 1.06A 5wwsA-1womA:
undetectable		 5wwsA-1womA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4fvl COLLAGENASE 3
(Homo
sapiens) 		4 / 6 PRO A 376
GLY A 374
LEU A 396
VAL A 379
 PGO  A 522 ( 4.6A)
None
None
None
 0.95A 5x80A-4fvlA:
undetectable
5x80B-4fvlA:
undetectable		 5x80A-4fvlA:
19.02
5x80B-4fvlA:
19.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		5 / 12 VAL A  33
PHE A  41
ILE A  21
VAL A  91
PHE A  23
 PGO  A 604 (-4.8A)
None
None
None
None
 1.36A 6ap6A-1womA:
39.6		 6ap6A-1womA:
38.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ
(Bacillus
subtilis) 		5 / 12 VAL A  33
PHE A  41
ILE A  21
VAL A  91
PHE A  23
 PGO  A 604 (-4.8A)
None
None
None
None
 1.36A 6ap6B-1womA:
39.6		 6ap6B-1womA:
38.97
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.
6HU9_N_PCFN606_0
(CYTOCHROME B)		 2e7y TRNASE Z
(Thermotoga
maritima) 		5 / 12 ALA A  26
THR A  33
PHE A  41
VAL A  44
TYR A 143
 None
PGO  A 601 (-3.8A)
None
None
None
 1.33A 6hu9N-2e7yA:
undetectable		 6hu9N-2e7yA:
19.74