SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'TLA'


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.
1BKF_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 9 TYR A 147
ASP A 158
PHE A 166
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 1.10A 1bkfA-5xb0A:
15.4		 1bkfA-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BKF_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 9 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 0.66A 1bkfA-5xb0A:
15.4		 1bkfA-5xb0A:
32.12
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.
1C9H_A_RAPA108_1
(FKBP12.6)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 12 TYR A 147
ASP A 158
PHE A 166
ILE A 172
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
None
None
None
 1.10A 1c9hA-5xb0A:
14.8		 1c9hA-5xb0A:
29.93
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.
1C9H_A_RAPA108_1
(FKBP12.6)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 12 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.68A 1c9hA-5xb0A:
14.8		 1c9hA-5xb0A:
29.93
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		 5aho 5' EXONUCLEASE
APOLLO
(Homo
sapiens) 		4 / 8 ASP A 145
ASP A 120
HIS A  31
HIS A 276
 None
ZN  A1320 (-2.5A)
ZN  A1321 (-3.3A)
TLA  A1319 ( 3.9A)
 1.00A 1ei6C-5ahoA:
undetectable		 1ei6C-5ahoA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		 5aho 5' EXONUCLEASE
APOLLO
(Homo
sapiens) 		5 / 8 ASP A 145
THR A 147
ASP A 120
HIS A  36
HIS A 276
 None
TLA  A1319 ( 4.7A)
ZN  A1320 (-2.5A)
ZN  A1320 ( 3.4A)
TLA  A1319 ( 3.9A)
 1.42A 1ei6C-5ahoA:
undetectable		 1ei6C-5ahoA:
22.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FAP_A_RAPA108_1
(FK506-BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 12 TYR A 147
ASP A 158
PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.04A 1fapA-5xb0A:
15.6		 1fapA-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FAP_A_RAPA108_1
(FK506-BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 12 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.66A 1fapA-5xb0A:
15.6		 1fapA-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FAP_A_RAPA108_1
(FK506-BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 12 TYR A 147
VAL A 171
TRP A 175
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 0.95A 1fapA-5xb0A:
15.6		 1fapA-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FKB_A_RAPA108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 12 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 0.66A 1fkbA-5xb0A:
15.4		 1fkbA-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FKB_A_RAPA108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 12 TYR A 147
PHE A 166
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 1.03A 1fkbA-5xb0A:
15.4		 1fkbA-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FKB_A_RAPA108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 12 TYR A 147
VAL A 171
TRP A 175
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 1.04A 1fkbA-5xb0A:
15.4		 1fkbA-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FKF_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 11 PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.09A 1fkfA-5xb0A:
15.3		 1fkfA-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FKF_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.63A 1fkfA-5xb0A:
15.3		 1fkfA-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FKJ_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 11 PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.09A 1fkjA-5xb0A:
15.3		 1fkjA-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FKJ_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.63A 1fkjA-5xb0A:
15.3		 1fkjA-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FKL_A_RAPA108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 12 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.70A 1fklA-5xb0A:
15.5		 1fklA-5xb0A:
31.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FKL_A_RAPA108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 12 TYR A 147
PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.01A 1fklA-5xb0A:
15.5		 1fklA-5xb0A:
31.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FKL_A_RAPA108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 12 TYR A 147
VAL A 171
TRP A 175
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 1.06A 1fklA-5xb0A:
15.5		 1fklA-5xb0A:
31.39
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.
1FM6_D_BRLD503_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 3dme CONSERVED EXPORTED
PROTEIN
(Bordetella
pertussis) 		5 / 12 GLY A 232
SER A  48
HIS A  52
TYR A 248
LEU A 256
 FAD  A 500 ( 4.6A)
FAD  A 500 ( 2.9A)
TLA  A 999 ( 3.7A)
TLA  A 999 (-4.7A)
None
 1.32A 1fm6D-3dmeA:
undetectable		 1fm6D-3dmeA:
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.
1GTI_F_CCSF47_0
(GLUTATHIONE
S-TRANSFERASE)		 5um0 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Neisseria
gonorrhoeae) 		4 / 5 THR A  20
LEU A  92
GLY A  94
LYS A  97
 TLA  A 300 (-3.9A)
None
None
TLA  A 300 (-2.9A)
 1.23A 1gtiF-5um0A:
undetectable		 1gtiF-5um0A:
19.28
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.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 5aho 5' EXONUCLEASE
APOLLO
(Homo
sapiens) 		5 / 7 GLY A 102
PRO A 101
ASP A 275
SER A 103
HIS A  99
 EDO  A1316 (-3.4A)
None
TLA  A1322 (-4.3A)
None
ZN  A1321 ( 3.4A)
 1.44A 1gxsA-5ahoA:
undetectable
1gxsB-5ahoA:
1.9		 1gxsA-5ahoA:
20.22
1gxsB-5ahoA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GXS_C_BEZC602_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 5aho 5' EXONUCLEASE
APOLLO
(Homo
sapiens) 		5 / 9 GLY A 102
PRO A 101
ASP A 275
SER A 103
HIS A  99
 EDO  A1316 (-3.4A)
None
TLA  A1322 (-4.3A)
None
ZN  A1321 ( 3.4A)
 1.41A 1gxsC-5ahoA:
undetectable
1gxsD-5ahoA:
undetectable		 1gxsC-5ahoA:
20.22
1gxsD-5ahoA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_A_LPRA801_2
(ANGIOTENSIN
CONVERTING ENZYME)		 5kyv LUCIFERIN
4-MONOOXYGENASE
(Photinus
pyralis) 		4 / 4 ARG A 337
ALA A 285
SER A 284
TYR A 255
 None
None
TLA  A 602 ( 4.8A)
None
 1.42A 1j36A-5kyvA:
0.0		 1j36A-5kyvA:
23.42
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.
1J36_B_LPRB802_2
(ANGIOTENSIN
CONVERTING ENZYME)		 5kyv LUCIFERIN
4-MONOOXYGENASE
(Photinus
pyralis) 		4 / 4 ARG A 337
ALA A 285
SER A 284
TYR A 255
 None
None
TLA  A 602 ( 4.8A)
None
 1.42A 1j36B-5kyvA:
0.0		 1j36B-5kyvA:
23.42
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.
1LII_A_ADNA699_1
(ADENOSINE KINASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 12 ILE A 349
LEU A  25
GLY A 350
THR A  21
LEU A 374
 None
None
TLA  A 527 (-3.3A)
None
None
 0.99A 1liiA-2pyxA:
3.9		 1liiA-2pyxA:
21.86
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.
1N4H_A_REAA500_1
(NUCLEAR RECEPTOR
ROR-BETA)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 11 ILE A 336
ALA A 334
ARG A 354
LEU A 305
ALA A 286
 None
None
TLA  A1363 (-2.8A)
None
None
 1.25A 1n4hA-4aukA:
undetectable		 1n4hA-4aukA:
21.72
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.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)		 5aho 5' EXONUCLEASE
APOLLO
(Homo
sapiens) 		3 / 3 ASP A  35
HIS A  99
ASP A 145
 TLA  A1319 ( 2.7A)
ZN  A1321 ( 3.4A)
None
 0.85A 1nw5A-5ahoA:
undetectable		 1nw5A-5ahoA:
21.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PBK_A_RAPA225_1
(FKBP25)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 12 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.70A 1pbkA-5xb0A:
15.2		 1pbkA-5xb0A:
31.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PBK_A_RAPA225_1
(FKBP25)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 12 VAL A 171
ILE A 172
TRP A 175
ALA A 203
ILE A 207
PHE A 215
 TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.23A 1pbkA-5xb0A:
15.2		 1pbkA-5xb0A:
31.03
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.
1PKV_A_RBFA100_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 2jfw GLUTAMATE RACEMASE
(Enterococcus
faecium) 		5 / 11 CYH A  77
ILE A  97
THR A 215
ILE A  75
VAL A  74
 TLA  A1272 ( 4.2A)
None
None
None
None
 1.20A 1pkvA-2jfwA:
undetectable
1pkvB-2jfwA:
undetectable		 1pkvA-2jfwA:
17.53
1pkvB-2jfwA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PKV_B_RBFB101_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 2jfw GLUTAMATE RACEMASE
(Enterococcus
faecium) 		5 / 11 ILE A  75
VAL A  74
CYH A  77
ILE A  97
THR A 215
 None
None
TLA  A1272 ( 4.2A)
None
None
 1.15A 1pkvA-2jfwA:
undetectable
1pkvB-2jfwA:
undetectable		 1pkvA-2jfwA:
17.53
1pkvB-2jfwA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q0Y_H_MOIH401_1
(FAB 9B1, HEAVY CHAIN
FAB 9B1, LIGHT CHAIN)		 5mux 2-METHYLCITRATE
DEHYDRATASE
(Bacillus
subtilis) 		4 / 7 GLU A 282
ILE A 321
TRP A 102
LEU A  98
 TLA  A 501 (-3.4A)
None
None
None
 1.36A 1q0yH-5muxA:
undetectable
1q0yL-5muxA:
undetectable		 1q0yH-5muxA:
20.88
1q0yL-5muxA:
17.45
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.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		4 / 6 TYR A  23
HIS A 320
GLU A 362
PRO A 363
 None
TLA  A 501 (-4.3A)
None
None
 1.39A 1q13A-3ekgA:
5.5		 1q13A-3ekgA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q6I_A_FK5A301_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 9 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.67A 1q6iA-5xb0A:
20.7		 1q6iA-5xb0A:
28.89
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.
1Q6I_B_FK5B401_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 10 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.58A 1q6iB-5xb0A:
20.5		 1q6iB-5xb0A:
28.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TCO_C_FK5C509_2
(FK506-BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 11 PHE A 166
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.07A 1tcoC-5xb0A:
15.0		 1tcoC-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TCO_C_FK5C509_2
(FK506-BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.77A 1tcoC-5xb0A:
15.0		 1tcoC-5xb0A:
32.12
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 5kds F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU A 771
HIS A 756
HIS A 760
GLU A 757
 TLA  A1102 ( 2.5A)
ZN  A1101 (-3.3A)
ZN  A1101 ( 3.3A)
ZN  A1101 ( 4.3A)
 0.78A 1v7zA-5kdsA:
undetectable		 1v7zA-5kdsA:
18.75
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 5kds F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU A 771
HIS A 756
HIS A 760
GLU A 757
 TLA  A1102 ( 2.5A)
ZN  A1101 (-3.3A)
ZN  A1101 ( 3.3A)
ZN  A1101 ( 4.3A)
 0.79A 1v7zB-5kdsA:
undetectable		 1v7zB-5kdsA:
18.75
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 5kds F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU A 771
HIS A 756
HIS A 760
GLU A 757
 TLA  A1102 ( 2.5A)
ZN  A1101 (-3.3A)
ZN  A1101 ( 3.3A)
ZN  A1101 ( 4.3A)
 0.79A 1v7zC-5kdsA:
undetectable		 1v7zC-5kdsA:
18.75
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.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)		 5kds F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU A 771
HIS A 756
HIS A 760
GLU A 757
 TLA  A1102 ( 2.5A)
ZN  A1101 (-3.3A)
ZN  A1101 ( 3.3A)
ZN  A1101 ( 4.3A)
 0.81A 1v7zD-5kdsA:
undetectable		 1v7zD-5kdsA:
18.75
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 5kds F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU A 771
HIS A 756
HIS A 760
GLU A 757
 TLA  A1102 ( 2.5A)
ZN  A1101 (-3.3A)
ZN  A1101 ( 3.3A)
ZN  A1101 ( 4.3A)
 0.81A 1v7zE-5kdsA:
undetectable		 1v7zE-5kdsA:
18.75
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 5kds F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU A 771
HIS A 756
HIS A 760
GLU A 757
 TLA  A1102 ( 2.5A)
ZN  A1101 (-3.3A)
ZN  A1101 ( 3.3A)
ZN  A1101 ( 4.3A)
 0.80A 1v7zF-5kdsA:
undetectable		 1v7zF-5kdsA:
18.75
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.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)		 5unc PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE
(Streptomyces
platensis) 		4 / 8 TYR A 231
PHE A 137
ALA A 250
HIS A 252
 None
None
TLA  A 401 (-3.5A)
None
 1.02A 1x8vA-5uncA:
undetectable		 1x8vA-5uncA:
23.18
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.
1YAJ_F_BEZF5023_0
(CES1 PROTEIN)		 2egz 3-DEHYDROQUINATE
DEHYDRATASE
(Aquifex
aeolicus) 		4 / 6 LEU A 157
GLY A 183
SER A 188
ILE A 170
 None
None
None
TLA  A4988 (-3.8A)
 0.97A 1yajF-2egzA:
undetectable		 1yajF-2egzA:
19.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YAT_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 11 PHE A 166
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.01A 1yatA-5xb0A:
17.5		 1yatA-5xb0A:
32.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YAT_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.65A 1yatA-5xb0A:
17.5		 1yatA-5xb0A:
32.85
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.
1ZGY_A_BRLA503_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 3dme CONSERVED EXPORTED
PROTEIN
(Bordetella
pertussis) 		5 / 12 GLY A 232
SER A  48
HIS A  52
TYR A 248
LEU A 256
 FAD  A 500 ( 4.6A)
FAD  A 500 ( 2.9A)
TLA  A 999 ( 3.7A)
TLA  A 999 (-4.7A)
None
 1.25A 1zgyA-3dmeA:
undetectable		 1zgyA-3dmeA:
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.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3a3u MENAQUINONE
BIOSYNTHETIC ENZYME
(Thermus
thermophilus) 		5 / 12 VAL A 250
LEU A 253
LEU A 270
GLY A 177
ALA A 178
 None
None
None
TLA  A 401 ( 4.4A)
None
 1.01A 2aylA-3a3uA:
undetectable		 2aylA-3a3uA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AYL_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3a3u MENAQUINONE
BIOSYNTHETIC ENZYME
(Thermus
thermophilus) 		5 / 12 VAL A 250
LEU A 253
LEU A 270
GLY A 177
ALA A 178
 None
None
None
TLA  A 401 ( 4.4A)
None
 1.01A 2aylB-3a3uA:
undetectable		 2aylB-3a3uA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C49_B_ADNB1301_1
(SUGAR KINASE MJ0406)		 3os7 GALACTOSE
MUTAROTASE-LIKE
PROTEIN
(Clostridium
acetobutylicum) 		4 / 7 HIS A 184
ALA A 186
GLY A  72
ASN A  38
 TLA  A 401 (-3.9A)
None
None
None
 0.75A 2c49B-3os7A:
undetectable		 2c49B-3os7A:
22.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DG3_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 11 TYR A 147
ASP A 158
PHE A 166
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 1.11A 2dg3A-5xb0A:
15.2		 2dg3A-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DG3_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 0.67A 2dg3A-5xb0A:
15.2		 2dg3A-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DG3_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 11 TYR A 147
ASP A 158
VAL A 171
TRP A 175
ILE A 207
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
 1.34A 2dg3A-5xb0A:
15.2		 2dg3A-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DG4_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 0.70A 2dg4A-5xb0A:
14.9		 2dg4A-5xb0A:
31.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DG9_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 11 TYR A 147
ASP A 158
PHE A 166
ILE A 172
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
None
None
 1.18A 2dg9A-5xb0A:
15.0		 2dg9A-5xb0A:
31.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DG9_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 0.72A 2dg9A-5xb0A:
15.0		 2dg9A-5xb0A:
31.39
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.
2F9W_A_PAUA6002_0
(PANTOTHENATE KINASE)		 4mrq PHOSPHOMANNOMUTASE/P
HOSPHOGLUCOMUTASE
(Pseudomonas
aeruginosa) 		4 / 8 ARG A  15
GLY A  21
THR A  31
ILE A  35
 TLA  A 502 (-4.1A)
None
None
None
 0.93A 2f9wA-4mrqA:
undetectable
2f9wB-4mrqA:
undetectable		 2f9wA-4mrqA:
21.43
2f9wB-4mrqA:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FKE_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 11 PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.09A 2fkeA-5xb0A:
15.4		 2fkeA-5xb0A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FKE_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.62A 2fkeA-5xb0A:
15.4		 2fkeA-5xb0A:
32.12
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.
2J2P_C_SC2C1289_1
(FICOLIN-2)		 5unc PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE
(Streptomyces
platensis) 		4 / 6 ASP A 100
SER A  64
LEU A  61
GLY A  60
 None
None
TLA  A 401 (-4.0A)
TLA  A 401 ( 4.0A)
 0.94A 2j2pA-5uncA:
undetectable
2j2pC-5uncA:
undetectable		 2j2pA-5uncA:
20.17
2j2pC-5uncA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J2P_F_SC2F1289_1
(FICOLIN-2)		 5unc PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE
(Streptomyces
platensis) 		4 / 6 ASP A 100
SER A  64
LEU A  61
GLY A  60
 None
None
TLA  A 401 (-4.0A)
TLA  A 401 ( 4.0A)
 0.96A 2j2pD-5uncA:
undetectable
2j2pF-5uncA:
undetectable		 2j2pD-5uncA:
20.17
2j2pF-5uncA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JJ8_C_AZZC1211_1
(DEOXYNUCLEOSIDE
KINASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 12 ILE A 414
LEU A 388
MET A 391
PHE A 354
ALA A 280
 None
None
None
None
TLA  A 427 ( 4.2A)
 0.83A 2jj8C-3mweA:
undetectable		 2jj8C-3mweA:
19.01
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.
2Q0J_B_BEZB500_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		 5aho 5' EXONUCLEASE
APOLLO
(Homo
sapiens) 		5 / 11 HIS A  31
HIS A 276
ASP A 120
HIS A  36
SER A   0
 ZN  A1321 (-3.3A)
TLA  A1319 ( 3.9A)
ZN  A1320 (-2.5A)
ZN  A1320 ( 3.4A)
None
 1.21A 2q0jB-5ahoA:
7.4		 2q0jB-5ahoA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHF_A_ACTA504_0
(CHORISMATE SYNTHASE)		 4it1 PUTATIVE GLUCARATE
DEHYDRATASE
(Pseudomonas
fluorescens) 		4 / 5 SER A 323
HIS A 349
ARG A 404
LEU A  18
 TLA  A 502 ( 4.9A)
TLA  A 502 (-4.7A)
TLA  A 502 (-2.9A)
None
 1.41A 2qhfA-4it1A:
undetectable		 2qhfA-4it1A:
23.74
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.
2QL8_B_BEZB143_0
(PUTATIVE REDOX
PROTEIN)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		4 / 6 TYR A 307
THR A 348
ALA A 345
PRO A 311
 None
TLA  A 427 (-3.7A)
TLA  A 427 (-3.6A)
None
 1.22A 2ql8A-3mweA:
undetectable
2ql8B-3mweA:
undetectable		 2ql8A-3mweA:
16.71
2ql8B-3mweA:
16.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VCD_A_RAPA138_1
(OUTER MEMBRANE
PROTEIN MIP)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
PHE A 157
ASP A 158
PHE A 166
VAL A 171
ILE A 172
TRP A 175
TYR A 198
 TLA  A 301 ( 4.4A)
None
TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
 1.01A 2vcdA-5xb0A:
19.0		 2vcdA-5xb0A:
40.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VN1_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 11 PHE A 157
PHE A 166
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 None
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
None
None
None
 1.23A 2vn1A-5xb0A:
16.2		 2vn1A-5xb0A:
35.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VN1_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
PHE A 157
ASP A 158
VAL A 171
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
None
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.87A 2vn1A-5xb0A:
16.2		 2vn1A-5xb0A:
35.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VN1_B_FK5B501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 10 PHE A 166
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 1.13A 2vn1B-5xb0A:
16.2		 2vn1B-5xb0A:
35.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VN1_B_FK5B501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 10 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 0.76A 2vn1B-5xb0A:
16.2		 2vn1B-5xb0A:
35.21
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.
2VQY_A_PARA1201_1
(AAC(6')-IB)		 5unc PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE
(Streptomyces
platensis) 		5 / 12 GLY A 102
TYR A 116
ASP A  98
ASP A  71
ASP A  73
 None
None
TLA  A 401 (-3.3A)
TLA  A 401 (-3.1A)
None
 1.38A 2vqyA-5uncA:
undetectable		 2vqyA-5uncA:
20.41
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.
2X7H_B_PFNB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3dme CONSERVED EXPORTED
PROTEIN
(Bordetella
pertussis) 		4 / 4 TYR A 248
LEU A 260
LEU A 246
HIS A  52
 TLA  A 999 (-4.7A)
None
None
TLA  A 999 ( 3.7A)
 1.34A 2x7hB-3dmeA:
2.7		 2x7hB-3dmeA:
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		 3os7 GALACTOSE
MUTAROTASE-LIKE
PROTEIN
(Clostridium
acetobutylicum) 		3 / 3 MET A 291
VAL A 202
GLU A 300
 None
None
TLA  A 401 ( 4.7A)
 0.91A 2x9gA-3os7A:
undetectable		 2x9gA-3os7A:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y00_B_Y00B601_2
(BETA-1 ADRENERGIC
RECEPTOR)		 3os7 GALACTOSE
MUTAROTASE-LIKE
PROTEIN
(Clostridium
acetobutylicum) 		3 / 3 VAL A 189
ASN A 289
TRP A 288
 None
None
TLA  A 401 (-4.4A)
 1.10A 2y00B-3os7A:
undetectable		 2y00B-3os7A:
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.
2YQZ_B_SAMB401_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 1nxj PROBABLE
S-ADENOSYLMETHIONINE
:2-DEMETHYLMENAQUINO
NE METHYLTRANSFERASE
(Mycobacterium
tuberculosis) 		6 / 12 GLY A  92
GLY A  62
ILE A  39
VAL A  65
LEU A  93
VAL A  77
 None
None
None
None
None
TLA  A 391 ( 4.8A)
 1.45A 2yqzB-1nxjA:
undetectable		 2yqzB-1nxjA:
23.28
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 5kds F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU A 771
HIS A 756
HIS A 760
GLU A 757
 TLA  A1102 ( 2.5A)
ZN  A1101 (-3.3A)
ZN  A1101 ( 3.3A)
ZN  A1101 ( 4.3A)
 0.78A 3a6jA-5kdsA:
undetectable		 3a6jA-5kdsA:
18.75
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 5kds F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 7 GLU A 771
HIS A 756
HIS A 760
GLU A 757
 TLA  A1102 ( 2.5A)
ZN  A1101 (-3.3A)
ZN  A1101 ( 3.3A)
ZN  A1101 ( 4.3A)
 0.76A 3a6jB-5kdsA:
undetectable		 3a6jB-5kdsA:
18.75
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 5kds F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU A 771
HIS A 756
HIS A 760
GLU A 757
 TLA  A1102 ( 2.5A)
ZN  A1101 (-3.3A)
ZN  A1101 ( 3.3A)
ZN  A1101 ( 4.3A)
 0.76A 3a6jC-5kdsA:
undetectable		 3a6jC-5kdsA:
18.75
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 5kds F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU A 771
HIS A 756
HIS A 760
GLU A 757
 TLA  A1102 ( 2.5A)
ZN  A1101 (-3.3A)
ZN  A1101 ( 3.3A)
ZN  A1101 ( 4.3A)
 0.80A 3a6jE-5kdsA:
undetectable		 3a6jE-5kdsA:
18.75
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.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 5kds F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU A 771
HIS A 756
HIS A 760
GLU A 757
 TLA  A1102 ( 2.5A)
ZN  A1101 (-3.3A)
ZN  A1101 ( 3.3A)
ZN  A1101 ( 4.3A)
 0.75A 3a6jF-5kdsA:
undetectable		 3a6jF-5kdsA:
18.75
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.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 3it7 PROTEASE LASA
(Pseudomonas
aeruginosa) 		4 / 5 HIS A 120
HIS A  81
ASP A  36
HIS A 122
 TLA  A 300 (-3.9A)
TLA  A 300 (-4.2A)
ZN  A 183 ( 2.1A)
ZN  A 183 ( 3.0A)
 1.03A 3c0zA-3it7A:
undetectable		 3c0zA-3it7A:
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.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 3it7 PROTEASE LASA
(Pseudomonas
aeruginosa) 		4 / 6 HIS A 120
HIS A  81
ASP A  36
HIS A 122
 TLA  A 300 (-3.9A)
TLA  A 300 (-4.2A)
ZN  A 183 ( 2.1A)
ZN  A 183 ( 3.0A)
 1.04A 3c0zC-3it7A:
undetectable		 3c0zC-3it7A:
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.
3CYX_A_ROCA201_4
(HIV-1 PROTEASE)		 5aho 5' EXONUCLEASE
APOLLO
(Homo
sapiens) 		4 / 4 LEU A 144
ASP A  14
VAL A 298
THR A 147
 None
None
None
TLA  A1319 ( 4.7A)
 1.29A 3cyxB-5ahoA:
undetectable		 3cyxB-5ahoA:
13.89
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.
3DTU_C_DXCC576_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 5mux 2-METHYLCITRATE
DEHYDRATASE
(Bacillus
subtilis) 		4 / 8 ALA A 289
ALA A 292
ILE A 340
GLU A 282
 None
None
None
TLA  A 501 (-3.4A)
 0.85A 3dtuC-5muxA:
0.0
3dtuD-5muxA:
undetectable		 3dtuC-5muxA:
undetectable
3dtuD-5muxA:
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.
3DZG_B_NCAB302_0
(ADP-RIBOSYL CYCLASE
1)		 4gr5 NON-RIBOSOMAL
PEPTIDE SYNTHETASE
(Streptomyces
lydicus) 		4 / 7 LEU A 416
ASP A 434
SER A 361
THR A 365
 TLA  A 602 (-4.6A)
None
None
None
 0.98A 3dzgB-4gr5A:
2.4		 3dzgB-4gr5A:
17.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IHZ_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 10 PHE A 166
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.03A 3ihzA-5xb0A:
16.0		 3ihzA-5xb0A:
31.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IHZ_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 10 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.67A 3ihzA-5xb0A:
16.0		 3ihzA-5xb0A:
31.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IHZ_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 8 ASP A 158
PHE A 166
TRP A 175
TYR A 198
ILE A 207
 TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
None
None
 1.23A 3ihzB-5xb0A:
16.4		 3ihzB-5xb0A:
31.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IHZ_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 8 TYR A 147
ASP A 158
TRP A 175
TYR A 198
ILE A 207
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
None
None
 0.64A 3ihzB-5xb0A:
16.4		 3ihzB-5xb0A:
31.65
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.
3IV6_A_SAMA301_1
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 SER A 301
ASP A 253
ASP A 424
 None
TLA  A 528 (-4.1A)
None
 0.86A 3iv6A-2pyxA:
3.3		 3iv6A-2pyxA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_C_SAMC301_1
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 SER A 301
ASP A 253
ASP A 424
 None
TLA  A 528 (-4.1A)
None
 0.86A 3iv6C-2pyxA:
undetectable		 3iv6C-2pyxA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)		 6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY
(Brevundimonas
sp.
BAL3) 		4 / 4 GLY A 230
ASP A 220
GLY A 339
THR A 384
 None
None
TLA  A 601 (-3.5A)
None
 1.10A 3k4vC-6frlA:
undetectable		 3k4vC-6frlA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KK6_A_CELA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3a3u MENAQUINONE
BIOSYNTHETIC ENZYME
(Thermus
thermophilus) 		5 / 12 VAL A 250
LEU A 253
LEU A 270
GLY A 177
ALA A 178
 None
None
None
TLA  A 401 ( 4.4A)
None
 1.04A 3kk6A-3a3uA:
undetectable		 3kk6A-3a3uA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		 4ryk LMO0325 PROTEIN
(Listeria
monocytogenes) 		4 / 7 GLU A 185
GLU A 226
TYR A 189
TYR A 184
 None
None
TLA  A 402 (-3.6A)
None
 1.04A 3ku9B-4rykA:
undetectable		 3ku9B-4rykA:
18.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KZ7_A_RAPA225_1
(FK506-BINDING
PROTEIN 3)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 10 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.69A 3kz7A-5xb0A:
14.8		 3kz7A-5xb0A:
33.10
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.
3LSL_A_PZIA800_0
(GLUTAMATE RECEPTOR 2)		 5hyh UNCHARACTERIZED
PROTEIN
(Streptomyces
venezuelae) 		4 / 7 TYR A 101
ASN A 233
LEU A 212
ASP A 213
 None
None
None
TLA  A 403 (-3.2A)
 1.24A 3lslA-5hyhA:
undetectable
3lslD-5hyhA:
undetectable		 3lslA-5hyhA:
23.44
3lslD-5hyhA:
23.44
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.
3LSL_A_PZIA802_0
(GLUTAMATE RECEPTOR 2)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 ASP A 253
ASN A 334
SER A 301
 TLA  A 528 (-4.1A)
TLA  A 528 (-4.1A)
None
 0.95A 3lslA-2pyxA:
undetectable
3lslD-2pyxA:
undetectable		 3lslA-2pyxA:
19.48
3lslD-2pyxA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LSL_D_PZID800_0
(GLUTAMATE RECEPTOR 2)		 5hyh UNCHARACTERIZED
PROTEIN
(Streptomyces
venezuelae) 		4 / 7 TYR A 101
ASN A 233
LEU A 212
ASP A 213
 None
None
None
TLA  A 403 (-3.2A)
 1.19A 3lslA-5hyhA:
undetectable
3lslD-5hyhA:
undetectable		 3lslA-5hyhA:
23.44
3lslD-5hyhA:
23.44
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.
3LSL_D_PZID802_0
(GLUTAMATE RECEPTOR 2)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		3 / 3 SER A 301
ASP A 253
ASN A 334
 None
TLA  A 528 (-4.1A)
TLA  A 528 (-4.1A)
 0.96A 3lslA-2pyxA:
undetectable
3lslD-2pyxA:
undetectable		 3lslA-2pyxA:
19.48
3lslD-2pyxA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LSL_G_PZIG800_0
(GLUTAMATE RECEPTOR 2)		 5hyh UNCHARACTERIZED
PROTEIN
(Streptomyces
venezuelae) 		4 / 6 TYR A 101
ASN A 233
LEU A 212
ASP A 213
 None
None
None
TLA  A 403 (-3.2A)
 1.20A 3lslG-5hyhA:
undetectable		 3lslG-5hyhA:
23.44
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.
3LSL_G_PZIG801_0
(GLUTAMATE RECEPTOR 2)		 3p1t PUTATIVE
HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE
(Burkholderia
pseudomallei) 		3 / 3 PRO A 143
SER A 274
ASN A 145
 None
None
TLA  A 343 (-3.3A)
 0.81A 3lslG-3p1tA:
undetectable		 3lslG-3p1tA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 6 ILE A 347
ALA A 348
ALA A  17
THR A  21
 None
None
TLA  A 527 (-3.3A)
None
 0.98A 3mdrB-2pyxA:
undetectable		 3mdrB-2pyxA:
22.32
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.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		5 / 12 GLY A  19
GLN A 358
MET A 344
LEU A 342
ILE A  55
 None
None
None
TLA  A 501 (-4.1A)
None
 1.34A 3mnoA-3ekgA:
undetectable		 3mnoA-3ekgA:
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.
3MNP_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		5 / 12 GLY A  19
GLN A 358
MET A 344
LEU A 342
ILE A  55
 None
None
None
TLA  A 501 (-4.1A)
None
 1.36A 3mnpA-3ekgA:
undetectable		 3mnpA-3ekgA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3a3u MENAQUINONE
BIOSYNTHETIC ENZYME
(Thermus
thermophilus) 		4 / 6 PHE A 254
THR A 107
ALA A 263
ALA A 257
 None
TLA  A 401 (-3.9A)
None
None
 1.06A 3ns1C-3a3uA:
undetectable		 3ns1C-3a3uA:
17.93
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.
3NV6_A_CAMA422_0
(CYTOCHROME P450)		 1vpd TARTRONATE
SEMIALDEHYDE
REDUCTASE
(Salmonella
enterica) 		3 / 3 GLY A 124
ILE A 178
VAL A 179
 TLA  A 501 (-3.6A)
None
TLA  A 501 ( 4.7A)
 0.50A 3nv6A-1vpdA:
undetectable		 3nv6A-1vpdA:
22.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O5R_A_FK5A1001_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 11 PHE A 166
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.05A 3o5rA-5xb0A:
16.3		 3o5rA-5xb0A:
31.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O5R_A_FK5A1001_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.69A 3o5rA-5xb0A:
16.3		 3o5rA-5xb0A:
31.16
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.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 1zl0 HYPOTHETICAL PROTEIN
PA5198
(Pseudomonas
aeruginosa) 		4 / 6 GLY A  87
GLY A  88
SER A 115
HIS A 285
 EDO  A1407 (-3.5A)
EDO  A1408 ( 3.4A)
TLA  A1401 ( 2.0A)
EDO  A1407 ( 3.9A)
 0.75A 3o9mB-1zl0A:
undetectable		 3o9mB-1zl0A:
20.28
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.
3OXV_A_478A200_1
(HIV-1 PROTEASE)		 4gr5 NON-RIBOSOMAL
PEPTIDE SYNTHETASE
(Streptomyces
lydicus) 		4 / 6 GLU A 442
PRO A  60
ARG A 443
GLY A 441
 TLA  A 602 ( 4.3A)
None
TLA  A 602 (-4.3A)
None
 1.37A 3oxvA-4gr5A:
undetectable		 3oxvA-4gr5A:
9.93
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		 4it1 PUTATIVE GLUCARATE
DEHYDRATASE
(Pseudomonas
fluorescens) 		5 / 12 ILE A 174
GLN A 177
HIS A  25
ILE A 367
PRO A 351
 None
None
TLA  A 502 (-4.1A)
None
None
 1.08A 3ozwB-4it1A:
undetectable		 3ozwB-4it1A:
25.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P5N_A_RBFA190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		 3a3u MENAQUINONE
BIOSYNTHETIC ENZYME
(Thermus
thermophilus) 		5 / 12 ASP A 161
GLY A  82
ALA A  76
LEU A  84
ASN A  13
 None
None
TLA  A 401 ( 4.8A)
None
None
 1.17A 3p5nA-3a3uA:
undetectable		 3p5nA-3a3uA:
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.
3PFG_A_SAMA264_1
(N-METHYLTRANSFERASE)		 5unc PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE
(Streptomyces
platensis) 		3 / 3 TYR A 103
TYR A 116
GLU A 127
 None
None
TLA  A 401 ( 4.6A)
 0.92A 3pfgA-5uncA:
2.6		 3pfgA-5uncA:
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.
3PWW_A_ROCA1001_2
(ENDOTHIAPEPSIN)		 3i16 ALUMINUM RESISTANCE
PROTEIN
(Clostridium
novyi) 		4 / 8 SER A 184
SER A 387
ASP A 217
THR A 100
 None
TLA  A 427 ( 4.9A)
None
TLA  A 427 (-3.8A)
 0.77A 3pwwA-3i16A:
undetectable		 3pwwA-3i16A:
24.42
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.
3R2J_C_NIOC311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 4mrq PHOSPHOMANNOMUTASE/P
HOSPHOGLUCOMUTASE
(Pseudomonas
aeruginosa) 		5 / 12 ASP A 244
ASP A 246
HIS A 329
ALA A 184
PHE A 241
 ZN  A 501 ( 2.5A)
ZN  A 501 ( 2.3A)
TLA  A 502 (-4.0A)
None
None
 1.40A 3r2jC-4mrqA:
undetectable		 3r2jC-4mrqA:
20.80
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.
3SG9_B_KANB305_1
(APH(2'')-ID)		 4it1 PUTATIVE GLUCARATE
DEHYDRATASE
(Pseudomonas
fluorescens) 		4 / 8 ASN A 269
HIS A 349
ASP A 347
GLU A 202
 MG  A 501 (-2.5A)
TLA  A 502 (-4.7A)
None
None
 1.10A 3sg9B-4it1A:
undetectable		 3sg9B-4it1A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUD_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 4it1 PUTATIVE GLUCARATE
DEHYDRATASE
(Pseudomonas
fluorescens) 		5 / 12 GLY A 195
ASP A 221
GLY A  23
ALA A  98
SER A 101
 None
MG  A 501 (-2.6A)
None
TLA  A 502 ( 4.8A)
None
 0.89A 3sudD-4it1A:
undetectable		 3sudD-4it1A:
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.
3T3Q_C_9PLC501_1
(CYTOCHROME P450 2A6)		 2jfw GLUTAMATE RACEMASE
(Enterococcus
faecium) 		5 / 10 VAL A  99
ASN A  78
ALA A  80
THR A  58
ILE A  13
 None
TLA  A1272 (-4.3A)
None
None
None
 1.37A 3t3qC-2jfwA:
undetectable		 3t3qC-2jfwA:
20.77
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.
3T7S_C_SAMC300_0
(PUTATIVE
METHYLTRANSFERASE)		 2cve HYPOTHETICAL PROTEIN
TTHA1053
(Thermus
thermophilus) 		5 / 12 GLY A 103
GLY A 100
GLN A  16
ALA A 107
TYR A 108
 None
TLA  A 192 (-3.5A)
None
None
None
 1.39A 3t7sC-2cveA:
undetectable		 3t7sC-2cveA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 5uib OXIDOREDUCTASE
PROTEIN
(Agrobacterium
tumefaciens) 		4 / 7 PRO A 242
LEU A 179
ASN A 126
ILE A 291
 None
TLA  A 402 (-4.0A)
NAD  A 401 (-3.0A)
NAD  A 401 ( 4.7A)
 0.98A 3u5jA-5uibA:
undetectable		 3u5jA-5uibA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5K_D_08JD4_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 5uib OXIDOREDUCTASE
PROTEIN
(Agrobacterium
tumefaciens) 		4 / 8 PRO A 242
LEU A 179
ASN A 126
ILE A 291
 None
TLA  A 402 (-4.0A)
NAD  A 401 (-3.0A)
NAD  A 401 ( 4.7A)
 0.82A 3u5kD-5uibA:
undetectable		 3u5kD-5uibA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 12 ARG A 378
ILE A 414
PHE A 354
ALA A 284
ALA A 345
 None
None
None
None
TLA  A 427 (-3.6A)
 1.36A 3ua1A-3mweA:
undetectable		 3ua1A-3mweA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)		 5u9p GLUCONATE
5-DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 5 SER A 148
ILE A  24
TYR A 161
GLY A 192
 TLA  A 302 (-2.9A)
NAP  A 301 (-3.9A)
TLA  A 302 ( 4.0A)
None
 0.90A 3uboB-5u9pA:
5.7		 3uboB-5u9pA:
23.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UF8_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 10 PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.13A 3uf8A-5xb0A:
16.8		 3uf8A-5xb0A:
31.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UF8_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 10 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.71A 3uf8A-5xb0A:
16.8		 3uf8A-5xb0A:
31.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQA_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 10 PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.14A 3uqaA-5xb0A:
16.7		 3uqaA-5xb0A:
32.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQA_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 10 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.73A 3uqaA-5xb0A:
16.7		 3uqaA-5xb0A:
32.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQB_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 8 TYR A 147
VAL A 171
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 0.40A 3uqbA-5xb0A:
16.8		 3uqbA-5xb0A:
31.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQB_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 8 TYR A 147
VAL A 171
ILE A 172
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.53A 3uqbA-5xb0A:
16.8		 3uqbA-5xb0A:
31.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAW_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 11 PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.16A 3vawA-5xb0A:
15.7		 3vawA-5xb0A:
32.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAW_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.74A 3vawA-5xb0A:
15.7		 3vawA-5xb0A:
32.00
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.
3VYW_A_SAMA501_1
(MNMC2)		 5mux 2-METHYLCITRATE
DEHYDRATASE
(Bacillus
subtilis) 		4 / 6 HIS A 144
ASP A 334
ASP A  95
GLU A 282
 None
None
None
TLA  A 501 (-3.4A)
 1.30A 3vywA-5muxA:
undetectable		 3vywA-5muxA:
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		 2cve HYPOTHETICAL PROTEIN
TTHA1053
(Thermus
thermophilus) 		5 / 12 LEU A 104
LEU A  99
PHE A  20
GLU A  65
HIS A  47
 TLA  A 192 (-4.5A)
TLA  A 192 (-4.3A)
None
TLA  A 192 (-3.1A)
None
 0.94A 4aqlA-2cveA:
undetectable		 4aqlA-2cveA:
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.
4BUP_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 3os7 GALACTOSE
MUTAROTASE-LIKE
PROTEIN
(Clostridium
acetobutylicum) 		3 / 3 HIS A 108
GLU A 100
ASN A 216
 TLA  A 401 (-3.9A)
None
None
 1.04A 4bupB-3os7A:
undetectable		 4bupB-3os7A:
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.
4BUP_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4it1 PUTATIVE GLUCARATE
DEHYDRATASE
(Pseudomonas
fluorescens) 		3 / 3 HIS A 320
GLU A 246
ASN A 223
 None
MG  A 501 (-2.8A)
TLA  A 502 (-3.7A)
 0.89A 4bupB-4it1A:
undetectable		 4bupB-4it1A:
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.
4DAJ_B_0HKB2000_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR M3,
LYSOZYME)		 2c1l RESTRICTION
ENDONUCLEASE
(Bacillus
firmus) 		3 / 3 ASN A  46
LEU A  40
PHE A  44
 None
None
TLA  A1363 (-4.1A)
 0.64A 4dajB-2c1lA:
undetectable		 4dajB-2c1lA:
21.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRH_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 12 TYR A 147
ASP A 158
PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.12A 4drhA-5xb0A:
16.1		 4drhA-5xb0A:
30.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRH_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 12 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.75A 4drhA-5xb0A:
16.1		 4drhA-5xb0A:
30.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRH_D_RAPD201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 12 ASP A 158
PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.16A 4drhD-5xb0A:
16.0		 4drhD-5xb0A:
30.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRH_D_RAPD201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 12 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.74A 4drhD-5xb0A:
16.0		 4drhD-5xb0A:
30.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRI_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.04A 4driA-5xb0A:
16.6		 4driA-5xb0A:
30.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRI_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.66A 4driA-5xb0A:
16.6		 4driA-5xb0A:
30.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRJ_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.05A 4drjA-5xb0A:
16.5		 4drjA-5xb0A:
31.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRJ_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.67A 4drjA-5xb0A:
16.5		 4drjA-5xb0A:
31.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ2_A_FK5A200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 11 PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.12A 4dz2A-5xb0A:
16.6
4dz2B-5xb0A:
16.6		 4dz2A-5xb0A:
37.50
4dz2B-5xb0A:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ2_A_FK5A200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.70A 4dz2A-5xb0A:
16.6
4dz2B-5xb0A:
16.6		 4dz2A-5xb0A:
37.50
4dz2B-5xb0A:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ2_B_FK5B200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 11 PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.12A 4dz2A-5xb0A:
16.6
4dz2B-5xb0A:
16.6		 4dz2A-5xb0A:
37.50
4dz2B-5xb0A:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ2_B_FK5B200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.67A 4dz2A-5xb0A:
16.6
4dz2B-5xb0A:
16.6		 4dz2A-5xb0A:
37.50
4dz2B-5xb0A:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 10 PHE A 166
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.06A 4dz3A-5xb0A:
16.6		 4dz3A-5xb0A:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 10 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.70A 4dz3A-5xb0A:
16.6		 4dz3A-5xb0A:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 10 PHE A 166
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.07A 4dz3B-5xb0A:
16.6		 4dz3B-5xb0A:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 10 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.72A 4dz3B-5xb0A:
16.6		 4dz3B-5xb0A:
37.50
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.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 12 ILE A 347
ALA A 348
ALA A  17
GLY A  15
THR A  21
 None
None
TLA  A 527 (-3.3A)
TLA  A 527 (-3.2A)
None
 1.08A 4enhA-2pyxA:
undetectable		 4enhA-2pyxA:
22.32
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.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 1zl0 HYPOTHETICAL PROTEIN
PA5198
(Pseudomonas
aeruginosa) 		5 / 12 GLY A  87
GLY A  88
SER A  25
SER A 115
HIS A 285
 EDO  A1407 (-3.5A)
EDO  A1408 ( 3.4A)
None
TLA  A1401 ( 2.0A)
EDO  A1407 ( 3.9A)
 0.92A 4ey6A-1zl0A:
3.5		 4ey6A-1zl0A:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		5 / 12 GLU A 340
GLY A 164
PHE A 175
SER A 326
VAL A 330
 TLA  A 501 (-2.8A)
None
None
None
None
 1.37A 4ffwB-3ekgA:
undetectable		 4ffwB-3ekgA:
19.67
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.
4HTF_A_ACTA303_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 5mux 2-METHYLCITRATE
DEHYDRATASE
(Bacillus
subtilis) 		3 / 3 TYR A 203
HIS A 163
ARG A 204
 None
TLA  A 501 (-3.9A)
TLA  A 501 (-3.9A)
 1.01A 4htfA-5muxA:
undetectable		 4htfA-5muxA:
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.
4IIZ_A_LURA201_1
(TRANSTHYRETIN)		 3i5b WSPR RESPONSE
REGULATOR
(Pseudomonas
aeruginosa) 		3 / 3 LYS A 327
LEU A 323
ALA A 326
 TLA  A   2 (-2.8A)
None
None
 0.81A 4iizA-3i5bA:
undetectable		 4iizA-3i5bA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKI_A_IMNA201_1
(TRANSTHYRETIN)		 3i5b WSPR RESPONSE
REGULATOR
(Pseudomonas
aeruginosa) 		3 / 3 LYS A 327
LEU A 323
ALA A 326
 TLA  A   2 (-2.8A)
None
None
 0.70A 4ikiA-3i5bA:
undetectable		 4ikiA-3i5bA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KN2_A_LYAA304_1
(FOLATE RECEPTOR BETA)		 3d46 PUTATIVE GALACTONATE
DEHYDRATASE
(Salmonella
enterica) 		5 / 12 THR A 173
SER A  58
ARG A  59
HIS A  33
GLY A  26
 TLA  A 502 (-3.6A)
None
TLA  A 502 (-2.6A)
TLA  A 502 (-3.8A)
None
 1.41A 4kn2A-3d46A:
undetectable		 4kn2A-3d46A:
17.93
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.
4KN2_C_LYAC304_1
(FOLATE RECEPTOR BETA)		 3d46 PUTATIVE GALACTONATE
DEHYDRATASE
(Salmonella
enterica) 		5 / 12 THR A 173
SER A  58
ARG A  59
HIS A  33
GLY A  26
 TLA  A 502 (-3.6A)
None
TLA  A 502 (-2.6A)
TLA  A 502 (-3.8A)
None
 1.41A 4kn2C-3d46A:
undetectable		 4kn2C-3d46A:
17.93
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.
4KRH_B_SAMB900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 3dme CONSERVED EXPORTED
PROTEIN
(Bordetella
pertussis) 		5 / 12 TYR A  57
LEU A  62
SER A  61
ALA A 330
ARG A 316
 None
None
None
None
TLA  A 999 ( 4.0A)
 1.16A 4krhB-3dmeA:
3.3		 4krhB-3dmeA:
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.
4KRH_B_SAMB900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 3dme CONSERVED EXPORTED
PROTEIN
(Bordetella
pertussis) 		5 / 12 TYR A  57
LEU A  62
SER A  61
ARG A 316
ILE A 359
 None
None
None
TLA  A 999 ( 4.0A)
None
 1.15A 4krhB-3dmeA:
3.3		 4krhB-3dmeA:
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.
4KUO_A_RBFA500_1
(BLUE-LIGHT
PHOTORECEPTOR)		 5ygu DIAMINOPIMELATE
EPIMERASE
(Escherichia
coli) 		5 / 12 VAL A 206
ASN A  11
GLN A  72
LEU A 247
ASN A 157
 None
IOD  A 308 (-4.5A)
TLA  A 301 (-3.2A)
None
TLA  A 301 (-3.4A)
 1.37A 4kuoA-5yguA:
undetectable		 4kuoA-5yguA:
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.
4LAX_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 10 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.68A 4laxA-5xb0A:
16.5		 4laxA-5xb0A:
28.14
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.
4LAX_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 10 TYR A 147
PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.02A 4laxA-5xb0A:
16.5		 4laxA-5xb0A:
28.14
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.
4MWV_A_BCZA513_1
(NEURAMINIDASE)		 5o9h C5A ANAPHYLATOXIN
CHEMOTACTIC RECEPTOR
1
(Homo
sapiens) 		3 / 3 ARG A 148
GLU A 326
ARG A 134
 TLA  A 402 (-3.2A)
TLA  A 402 (-3.6A)
None
 0.66A 4mwvA-5o9hA:
undetectable		 4mwvA-5o9hA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NNR_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 12 PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.11A 4nnrA-5xb0A:
12.1
4nnrB-5xb0A:
12.4		 4nnrA-5xb0A:
34.23
4nnrB-5xb0A:
34.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NNR_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 12 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.69A 4nnrA-5xb0A:
12.1
4nnrB-5xb0A:
12.4		 4nnrA-5xb0A:
34.23
4nnrB-5xb0A:
34.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NNR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 10 PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.13A 4nnrB-5xb0A:
12.4		 4nnrB-5xb0A:
34.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NNR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 10 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.75A 4nnrB-5xb0A:
12.4		 4nnrB-5xb0A:
34.23
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.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 5u9p GLUCONATE
5-DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 TYR A 161
GLY A  98
ILE A  24
GLY A  23
ASN A 199
 TLA  A 302 ( 4.0A)
NAP  A 301 (-3.8A)
NAP  A 301 (-3.9A)
NAP  A 301 (-3.5A)
TLA  A 302 ( 3.0A)
 1.17A 4obwA-5u9pA:
7.2		 4obwA-5u9pA:
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.
4OBW_D_SAMD601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 5u9p GLUCONATE
5-DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 TYR A 161
GLY A  98
ILE A  24
GLY A  23
ASN A 199
 TLA  A 302 ( 4.0A)
NAP  A 301 (-3.8A)
NAP  A 301 (-3.9A)
NAP  A 301 (-3.5A)
TLA  A 302 ( 3.0A)
 1.15A 4obwD-5u9pA:
6.4		 4obwD-5u9pA:
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.
4ODO_A_FK5A205_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 10 TYR A 147
ASP A 158
ILE A 172
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
None
None
 0.70A 4odoA-5xb0A:
9.7		 4odoA-5xb0A:
22.84
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.
4ODO_B_FK5B203_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 10 TYR A 147
ASP A 158
ILE A 172
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
None
None
 0.66A 4odoB-5xb0A:
9.4		 4odoB-5xb0A:
22.84
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.
4ODO_C_FK5C204_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 10 TYR A 147
ASP A 158
ILE A 172
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
None
None
 0.70A 4odoC-5xb0A:
9.3		 4odoC-5xb0A:
22.84
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.
4ODR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 11 TYR A 147
ASP A 158
ILE A 172
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
None
None
 0.67A 4odrA-5xb0A:
10.9
4odrB-5xb0A:
11.0		 4odrA-5xb0A:
22.73
4odrB-5xb0A:
22.73
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.
4OLT_A_GCSA303_1
(CHITOSANASE)		 5n6c D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
(Homo
sapiens) 		4 / 6 ASP A  81
ARG A 236
GLY A 238
HIS A 283
 None
TLA  A 401 ( 2.7A)
None
TLA  A 401 ( 3.8A)
 0.98A 4oltA-5n6cA:
undetectable		 4oltA-5n6cA:
18.52
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.
4OLT_B_GCSB303_1
(CHITOSANASE)		 5n6c D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
(Homo
sapiens) 		4 / 6 ASP A  81
ARG A 236
GLY A 238
HIS A 283
 None
TLA  A 401 ( 2.7A)
None
TLA  A 401 ( 3.8A)
 1.00A 4oltB-5n6cA:
undetectable		 4oltB-5n6cA:
18.52
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.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 4mrq PHOSPHOMANNOMUTASE/P
HOSPHOGLUCOMUTASE
(Pseudomonas
aeruginosa) 		5 / 12 TYR A 259
HIS A 329
GLY A 328
ASP A 244
GLY A 245
 PEG  A 504 ( 4.2A)
TLA  A 502 (-4.0A)
None
ZN  A 501 ( 2.5A)
None
 1.29A 4qa0A-4mrqA:
undetectable		 4qa0A-4mrqA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 4mrq PHOSPHOMANNOMUTASE/P
HOSPHOGLUCOMUTASE
(Pseudomonas
aeruginosa) 		5 / 12 TYR A 259
HIS A 329
GLY A 328
ASP A 244
GLY A 245
 PEG  A 504 ( 4.2A)
TLA  A 502 (-4.0A)
None
ZN  A 501 ( 2.5A)
None
 1.23A 4qa2A-4mrqA:
undetectable		 4qa2A-4mrqA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 4mrq PHOSPHOMANNOMUTASE/P
HOSPHOGLUCOMUTASE
(Pseudomonas
aeruginosa) 		5 / 12 TYR A 259
HIS A 329
GLY A 328
ASP A 244
GLY A 245
 PEG  A 504 ( 4.2A)
TLA  A 502 (-4.0A)
None
ZN  A 501 ( 2.5A)
None
 1.18A 4qa2B-4mrqA:
undetectable		 4qa2B-4mrqA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		 1vpd TARTRONATE
SEMIALDEHYDE
REDUCTASE
(Salmonella
enterica) 		4 / 8 LEU A 217
THR A 215
VAL A 179
HIS A 279
 None
None
TLA  A 501 ( 4.7A)
TLA  A 501 (-4.8A)
 0.88A 4qknA-1vpdA:
0.0		 4qknA-1vpdA:
20.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QT2_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 10 ASP A 158
PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.14A 4qt2A-5xb0A:
16.3		 4qt2A-5xb0A:
33.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QT2_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 10 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.72A 4qt2A-5xb0A:
16.3		 4qt2A-5xb0A:
33.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QT3_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 10 TYR A 147
ASP A 158
PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.06A 4qt3A-5xb0A:
15.6		 4qt3A-5xb0A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QT3_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 10 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.68A 4qt3A-5xb0A:
15.6		 4qt3A-5xb0A:
33.33
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.
4QVN_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 1fs5 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE
(Escherichia
coli) 		5 / 9 THR A  44
ALA A 169
VAL A 203
GLY A 137
ASP A 141
 TLA  A1268 (-3.5A)
None
None
None
None
 1.03A 4qvnK-1fs5A:
undetectable
4qvnL-1fs5A:
undetectable		 4qvnK-1fs5A:
20.86
4qvnL-1fs5A:
22.71
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.
4QVN_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 1fs5 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE
(Escherichia
coli) 		5 / 9 THR A  44
ALA A 169
VAL A 203
GLY A 137
ASP A 141
 TLA  A1268 (-3.5A)
None
None
None
None
 1.03A 4qvnY-1fs5A:
undetectable
4qvnZ-1fs5A:
undetectable		 4qvnY-1fs5A:
20.86
4qvnZ-1fs5A:
22.71
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.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 5uib OXIDOREDUCTASE
PROTEIN
(Agrobacterium
tumefaciens) 		5 / 12 GLN A  97
ALA A  74
GLU A 125
HIS A 182
PHE A  16
 NAD  A 401 (-3.2A)
None
None
TLA  A 402 ( 3.9A)
NAD  A 401 (-3.3A)
 1.26A 4r7lA-5uibA:
undetectable		 4r7lA-5uibA:
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		 3zm8 GH26
ENDO-BETA-1,4-MANNAN
ASE
(Podospora
anserina) 		3 / 3 GLU A 300
ALA A 301
PHE A 306
 TLA  A1452 (-2.8A)
None
None
 0.53A 4v1fA-3zm8A:
undetectable		 4v1fA-3zm8A:
13.61
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.
4V1F_C_BQ1C1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		 3zm8 GH26
ENDO-BETA-1,4-MANNAN
ASE
(Podospora
anserina) 		3 / 3 GLU A 300
ALA A 301
PHE A 306
 TLA  A1452 (-2.8A)
None
None
 0.52A 4v1fC-3zm8A:
undetectable		 4v1fC-3zm8A:
13.61
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.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 3d46 PUTATIVE GALACTONATE
DEHYDRATASE
(Salmonella
enterica) 		3 / 3 SER A  50
GLU A 253
GLU A 349
 None
None
TLA  A 502 (-2.8A)
 0.68A 4ymgB-3d46A:
undetectable		 4ymgB-3d46A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)		 5aho 5' EXONUCLEASE
APOLLO
(Homo
sapiens) 		5 / 11 HIS A  31
HIS A  33
ASP A  35
HIS A  36
HIS A  99
 ZN  A1321 (-3.3A)
ZN  A1321 ( 3.2A)
TLA  A1319 ( 2.7A)
ZN  A1320 ( 3.4A)
ZN  A1321 ( 3.4A)
 0.33A 5ayaA-5ahoA:
7.9		 5ayaA-5ahoA:
20.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5B8I_C_FK5C201_3
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 12 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.68A 5b8iC-5xb0A:
15.2		 5b8iC-5xb0A:
31.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5B8I_C_FK5C201_3
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 12 TYR A 147
PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.07A 5b8iC-5xb0A:
15.2		 5b8iC-5xb0A:
31.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 12 PHE A 215
ILE A 192
VAL A 171
GLY A 199
THR A 176
 None
None
TLA  A 301 (-3.4A)
None
None
 1.07A 5byjA-5xb0A:
undetectable		 5byjA-5xb0A:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 3d46 PUTATIVE GALACTONATE
DEHYDRATASE
(Salmonella
enterica) 		5 / 12 GLY A 174
LEU A 179
ILE A  41
HIS A  39
THR A 173
 None
None
None
None
TLA  A 502 (-3.6A)
 1.03A 5d4uA-3d46A:
undetectable		 5d4uA-3d46A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		5 / 12 GLY A 164
LEU A 169
ILE A  32
HIS A  30
THR A 163
 None
None
None
None
TLA  A 501 ( 3.8A)
 1.07A 5d4uA-3ekgA:
undetectable		 5d4uA-3ekgA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 3d46 PUTATIVE GALACTONATE
DEHYDRATASE
(Salmonella
enterica) 		5 / 12 GLY A 174
LEU A 179
ILE A  41
HIS A  39
THR A 173
 None
None
None
None
TLA  A 502 (-3.6A)
 1.02A 5d4uB-3d46A:
undetectable		 5d4uB-3d46A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Azotobacter
vinelandii) 		5 / 12 GLY A 164
LEU A 169
ILE A  32
HIS A  30
THR A 163
 None
None
None
None
TLA  A 501 ( 3.8A)
 1.06A 5d4uB-3ekgA:
undetectable		 5d4uB-3ekgA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 3d46 PUTATIVE GALACTONATE
DEHYDRATASE
(Salmonella
enterica) 		5 / 12 GLY A 174
LEU A 179
ILE A  41
HIS A  39
THR A 173
 None
None
None
None
TLA  A 502 (-3.6A)
 1.03A 5d4uC-3d46A:
undetectable		 5d4uC-3d46A:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5D75_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.59A 5d75A-5xb0A:
15.5		 5d75A-5xb0A:
31.08
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.
5DV4_A_NMYA601_1
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)		 5aho 5' EXONUCLEASE
APOLLO
(Homo
sapiens) 		5 / 12 ASN A 148
HIS A 276
ASP A 120
ILE A 297
HIS A  36
 None
TLA  A1319 ( 3.9A)
ZN  A1320 (-2.5A)
None
ZN  A1320 ( 3.4A)
 1.31A 5dv4A-5ahoA:
undetectable		 5dv4A-5ahoA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_O_BEZO801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 4it1 PUTATIVE GLUCARATE
DEHYDRATASE
(Pseudomonas
fluorescens) 		4 / 6 SER A 101
HIS A 102
PRO A  99
LEU A  97
 None
None
TLA  A 502 (-4.3A)
None
 1.22A 5dzka-4it1A:
2.0
5dzko-4it1A:
undetectable		 5dzka-4it1A:
21.16
5dzko-4it1A:
4.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_T_BEZT801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3hzn OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE
(Salmonella
enterica) 		4 / 5 SER A  79
ALA A  78
HIS A  80
LEU A 159
 None
None
TLA  A 218 (-4.0A)
None
 1.38A 5dzkf-3hznA:
undetectable
5dzkt-3hznA:
undetectable		 5dzkf-3hznA:
22.18
5dzkt-3hznA:
1.29
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.
5E4D_A_BEZA201_0
(HYDROXYNITRILE LYASE)		 5uib OXIDOREDUCTASE
PROTEIN
(Agrobacterium
tumefaciens) 		5 / 9 VAL A 230
VAL A 228
ILE A 186
PHE A 127
LEU A 179
 None
None
None
None
TLA  A 402 (-4.0A)
 1.46A 5e4dA-5uibA:
undetectable		 5e4dA-5uibA:
19.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GPG_A_RAPA301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.64A 5gpgA-5xb0A:
15.9		 5gpgA-5xb0A:
31.03
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.
5GWX_A_SAMA301_1
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 4it1 PUTATIVE GLUCARATE
DEHYDRATASE
(Pseudomonas
fluorescens) 		3 / 3 ARG A 404
ASN A 322
ASP A 221
 TLA  A 502 (-2.9A)
TLA  A 502 ( 4.8A)
MG  A 501 (-2.6A)
 0.74A 5gwxA-4it1A:
undetectable		 5gwxA-4it1A:
20.61
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.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 5uib OXIDOREDUCTASE
PROTEIN
(Agrobacterium
tumefaciens) 		4 / 6 PHE A 323
SER A 231
VAL A 230
ASP A 178
 None
None
None
TLA  A 402 (-3.4A)
 1.27A 5hesA-5uibA:
undetectable		 5hesA-5uibA:
20.39
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.
5HKG_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 12 TYR A 147
ASP A 158
PHE A 166
ILE A 172
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
None
None
None
 1.12A 5hkgA-5xb0A:
15.0		 5hkgA-5xb0A:
29.93
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.
5HKG_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 12 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.70A 5hkgA-5xb0A:
15.0		 5hkgA-5xb0A:
29.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HUA_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 11 PHE A 166
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 1.13A 5huaA-5xb0A:
17.5		 5huaA-5xb0A:
30.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HUA_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 0.61A 5huaA-5xb0A:
17.5		 5huaA-5xb0A:
30.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW8_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 0.65A 5hw8A-5xb0A:
15.1
5hw8D-5xb0A:
15.2		 5hw8A-5xb0A:
27.94
5hw8D-5xb0A:
27.94
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.
5HW8_B_FK5B201_1
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 11 PHE A 166
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
None
None
None
 1.14A 5hw8B-5xb0A:
15.1		 5hw8B-5xb0A:
27.94
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.
5HW8_B_FK5B201_1
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 11 TYR A 147
ASP A 158
VAL A 171
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.63A 5hw8B-5xb0A:
15.1		 5hw8B-5xb0A:
27.94
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.
5HW8_B_FK5B201_1
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 11 TYR A 147
VAL A 171
TRP A 175
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 1.22A 5hw8B-5xb0A:
15.1		 5hw8B-5xb0A:
27.94
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.
5HW8_C_FK5C201_1
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 10 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
LEU A 213
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.53A 5hw8C-5xb0A:
15.2
5hw8H-5xb0A:
12.8		 5hw8C-5xb0A:
27.94
5hw8H-5xb0A:
27.94
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.
5HW8_D_FK5D201_1
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 11 PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.07A 5hw8D-5xb0A:
15.2		 5hw8D-5xb0A:
27.94
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.
5HW8_D_FK5D201_1
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.67A 5hw8D-5xb0A:
15.2		 5hw8D-5xb0A:
27.94
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.
5HW8_E_FK5E201_1
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		5 / 11 PHE A 166
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 1.13A 5hw8E-5xb0A:
15.1		 5hw8E-5xb0A:
27.94
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.
5HW8_E_FK5E201_1
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 0.73A 5hw8E-5xb0A:
15.1		 5hw8E-5xb0A:
27.94
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.
5HW8_F_FK5F201_1
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 12 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 0.76A 5hw8B-5xb0A:
15.1
5hw8F-5xb0A:
12.2
5hw8G-5xb0A:
15.2		 5hw8B-5xb0A:
27.94
5hw8F-5xb0A:
27.94
5hw8G-5xb0A:
27.94
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.
5HW8_F_FK5F201_1
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 12 TYR A 147
PHE A 166
ILE A 172
TRP A 175
TYR A 198
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
 1.03A 5hw8B-5xb0A:
15.1
5hw8F-5xb0A:
12.2
5hw8G-5xb0A:
15.2		 5hw8B-5xb0A:
27.94
5hw8F-5xb0A:
27.94
5hw8G-5xb0A:
27.94
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.
5HW8_G_FK5G201_2
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 11 PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.06A 5hw8G-5xb0A:
15.2		 5hw8G-5xb0A:
27.94
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.
5HW8_G_FK5G201_2
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.68A 5hw8G-5xb0A:
15.2		 5hw8G-5xb0A:
27.94
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.
5HW8_H_FK5H201_1
(FK506-BINDING
PROTEIN 1)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 8 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
 0.78A 5hw8H-5xb0A:
12.8		 5hw8H-5xb0A:
27.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HWC_A_FK5A201_1
(FK506-BINDING
PROTEIN 1A)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 11 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.68A 5hwcA-5xb0A:
16.1		 5hwcA-5xb0A:
31.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HWC_A_FK5A201_1
(FK506-BINDING
PROTEIN 1A)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 11 TYR A 147
PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.06A 5hwcA-5xb0A:
16.1		 5hwcA-5xb0A:
31.03
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.
5IH0_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 5mux 2-METHYLCITRATE
DEHYDRATASE
(Bacillus
subtilis) 		4 / 6 ASP A  92
HIS A 104
ILE A  88
TYR A 203
 TLA  A 501 ( 4.9A)
TLA  A 501 (-4.0A)
None
None
 1.21A 5ih0A-5muxA:
undetectable		 5ih0A-5muxA:
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.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5ujc MMACHC-LIKE PROTEIN
(Caenorhabditis
elegans) 		3 / 3 TYR A 122
TYR A 241
SER A  60
 None
TLA  A 301 (-4.5A)
None
 0.99A 5iktB-5ujcA:
undetectable		 5iktB-5ujcA:
19.74
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.
5KOX_A_RFPA502_1
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		 2c1l RESTRICTION
ENDONUCLEASE
(Bacillus
firmus) 		5 / 12 GLY A 130
GLY A 110
VAL A 120
GLY A  50
GLY A  49
 TLA  A1363 ( 4.5A)
None
None
None
None
 0.84A 5koxA-2c1lA:
undetectable		 5koxA-2c1lA:
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.
5L5F_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		 5n6c D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
(Homo
sapiens) 		4 / 8 THR A  98
SER A  55
ALA A 286
SER A 287
 None
TLA  A 401 (-2.9A)
TLA  A 401 ( 3.2A)
None
 1.09A 5l5fY-5n6cA:
undetectable
5l5fZ-5n6cA:
undetectable		 5l5fY-5n6cA:
15.46
5l5fZ-5n6cA:
16.19
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.
5N1T_W_CUW201_0
(COPC)		 5aho 5' EXONUCLEASE
APOLLO
(Homo
sapiens) 		3 / 3 HIS A  99
ASP A 145
HIS A 276
 ZN  A1321 ( 3.4A)
None
TLA  A1319 ( 3.9A)
 0.90A 5n1tW-5ahoA:
undetectable		 5n1tW-5ahoA:
19.09
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.
5NEK_B_AZMB302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5aho 5' EXONUCLEASE
APOLLO
(Homo
sapiens) 		5 / 8 ASP A 120
HIS A  31
HIS A  36
ARG A 259
HIS A 276
 ZN  A1320 (-2.5A)
ZN  A1321 (-3.3A)
ZN  A1320 ( 3.4A)
None
TLA  A1319 ( 3.9A)
 1.11A 5nekB-5ahoA:
undetectable		 5nekB-5ahoA:
19.02
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.
5NEK_D_AZMD302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5aho 5' EXONUCLEASE
APOLLO
(Homo
sapiens) 		5 / 8 ASP A 120
HIS A  31
HIS A  36
ARG A 259
HIS A 276
 ZN  A1320 (-2.5A)
ZN  A1321 (-3.3A)
ZN  A1320 ( 3.4A)
None
TLA  A1319 ( 3.9A)
 1.10A 5nekD-5ahoA:
undetectable		 5nekD-5ahoA:
19.02
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.
5NNA_C_BZMC301_0
(ISATIN HYDROLASE A)		 2cve HYPOTHETICAL PROTEIN
TTHA1053
(Thermus
thermophilus) 		5 / 12 LEU A 104
PRO A  73
VAL A  90
GLY A  49
GLY A  71
 TLA  A 192 (-4.5A)
None
None
None
None
 0.93A 5nnaC-2cveA:
undetectable		 5nnaC-2cveA:
23.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NZW_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 5aho 5' EXONUCLEASE
APOLLO
(Homo
sapiens) 		6 / 10 HIS A  31
HIS A  33
HIS A  36
HIS A  99
ASP A 120
HIS A 276
 ZN  A1321 (-3.3A)
ZN  A1321 ( 3.2A)
ZN  A1320 ( 3.4A)
ZN  A1321 ( 3.4A)
ZN  A1320 (-2.5A)
TLA  A1319 ( 3.9A)
 0.24A 5nzwA-5ahoA:
20.8		 5nzwA-5ahoA:
35.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NZW_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 5aho 5' EXONUCLEASE
APOLLO
(Homo
sapiens) 		6 / 10 HIS A  31
HIS A  33
HIS A  36
HIS A  99
ASP A 120
THR A 257
 ZN  A1321 (-3.3A)
ZN  A1321 ( 3.2A)
ZN  A1320 ( 3.4A)
ZN  A1321 ( 3.4A)
ZN  A1320 (-2.5A)
TLA  A1322 (-3.3A)
 0.66A 5nzwA-5ahoA:
20.8		 5nzwA-5ahoA:
35.31
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.
5O4Y_F_CCSF14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		 3p1t PUTATIVE
HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE
(Burkholderia
pseudomallei) 		4 / 6 PHE A 195
SER A 196
ARG A 205
GLY A 203
 None
None
TLA  A 343 ( 4.1A)
None
 1.12A 5o4yF-3p1tA:
undetectable		 5o4yF-3p1tA:
4.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ODI_G_ACTG702_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 2jfw GLUTAMATE RACEMASE
(Enterococcus
faecium) 		3 / 3 GLY A 187
THR A 121
ASN A  78
 None
TLA  A1272 (-3.9A)
TLA  A1272 (-4.3A)
 0.68A 5odiG-2jfwA:
4.3		 5odiG-2jfwA:
19.02
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.
5ODI_G_ACTG702_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 2jfw GLUTAMATE RACEMASE
(Enterococcus
faecium) 		3 / 3 GLY A 187
THR A 189
ASN A  78
 None
None
TLA  A1272 (-4.3A)
 0.53A 5odiG-2jfwA:
4.3		 5odiG-2jfwA:
19.02
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.
5WBV_A_SAMA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 4it1 PUTATIVE GLUCARATE
DEHYDRATASE
(Pseudomonas
fluorescens) 		3 / 3 HIS A 320
GLU A 246
ASN A 223
 None
MG  A 501 (-2.8A)
TLA  A 502 (-3.7A)
 0.97A 5wbvA-4it1A:
undetectable		 5wbvA-4it1A:
22.15
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.
5WBV_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 4it1 PUTATIVE GLUCARATE
DEHYDRATASE
(Pseudomonas
fluorescens) 		3 / 3 HIS A 320
GLU A 246
ASN A 223
 None
MG  A 501 (-2.8A)
TLA  A 502 (-3.7A)
 0.97A 5wbvB-4it1A:
undetectable		 5wbvB-4it1A:
22.15
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.
5Y2T_A_8LXA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3dme CONSERVED EXPORTED
PROTEIN
(Bordetella
pertussis) 		3 / 3 SER A 350
HIS A  52
TYR A 248
 TLA  A 999 ( 2.6A)
TLA  A 999 ( 3.7A)
TLA  A 999 (-4.7A)
 0.96A 5y2tA-3dmeA:
undetectable		 5y2tA-3dmeA:
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.
5Y9Y_A_ACTA412_0
(UNCHARACTERIZED
PROTEIN KDOO)		 2egz 3-DEHYDROQUINATE
DEHYDRATASE
(Aquifex
aeolicus) 		3 / 3 ARG A  30
PHE A 118
ARG A  61
 TLA  A4988 (-4.0A)
None
TLA  A4988 (-3.1A)
 1.21A 5y9yA-2egzA:
undetectable		 5y9yA-2egzA:
21.77
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.
5YSI_A_NCAA1001_0
(UBIQUITINATING/DEUBI
QUITINATING ENZYME
SDEA)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		4 / 6 ARG A 379
GLY A 381
SER A 343
THR A 407
 TLA  A 427 (-2.9A)
None
TLA  A 427 ( 4.2A)
None
 1.21A 5ysiA-3mweA:
undetectable		 5ysiA-3mweA:
18.03
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.
5ZJI_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 5o9h C5A ANAPHYLATOXIN
CHEMOTACTIC RECEPTOR
1
(Homo
sapiens) 		5 / 10 ILE A 124
TRP A 154
ILE A  70
ALA A 153
ALA A 158
 9P2  A 401 (-4.4A)
None
TLA  A 402 (-3.3A)
OLA  A 404 ( 4.0A)
OLA  A 416 (-3.5A)
 1.43A 5zjiB-5o9hA:
2.1		 5zjiB-5o9hA:
23.17
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.
6AG0_A_ACRA607_0
(ALPHA-AMYLASE)		 3g0o 3-HYDROXYISOBUTYRATE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 4 ARG A 226
SER A 286
ASP A 285
ASN A 225
 TLA  A 401 (-2.9A)
None
None
TLA  A 401 ( 4.6A)
 1.12A 6ag0A-3g0oA:
1.2		 6ag0A-3g0oA:
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.
6APH_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3dme CONSERVED EXPORTED
PROTEIN
(Bordetella
pertussis) 		4 / 5 GLN A  86
THR A 354
HIS A  52
LEU A 246
 None
FAD  A 500 (-3.8A)
TLA  A 999 ( 3.7A)
None
 1.21A 6aphA-3dmeA:
undetectable		 6aphA-3dmeA:
22.48
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.
6B5V_A_ECLA1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 5unc PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE
(Streptomyces
platensis) 		4 / 7 ILE A 201
LEU A 200
ILE A 234
ALA A 250
 None
None
None
TLA  A 401 (-3.5A)
 0.86A 6b5vA-5uncA:
undetectable
6b5vC-5uncA:
undetectable		 6b5vA-5uncA:
14.64
6b5vC-5uncA:
14.64
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.
6B5V_C_ECLC1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 5unc PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE
(Streptomyces
platensis) 		4 / 7 ILE A 201
LEU A 200
ILE A 234
ALA A 250
 None
None
None
TLA  A 401 (-3.5A)
 0.86A 6b5vC-5uncA:
undetectable
6b5vD-5uncA:
undetectable		 6b5vC-5uncA:
14.64
6b5vD-5uncA:
14.64
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.
6B5V_D_ECLD1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 5unc PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE
(Streptomyces
platensis) 		4 / 7 ALA A 250
ILE A 201
LEU A 200
ILE A 234
 TLA  A 401 (-3.5A)
None
None
None
 0.86A 6b5vB-5uncA:
undetectable
6b5vD-5uncA:
undetectable		 6b5vB-5uncA:
14.64
6b5vD-5uncA:
14.64
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.
6CE2_B_SVRB202_1
()		 3i16 ALUMINUM RESISTANCE
PROTEIN
(Clostridium
novyi) 		4 / 8 LEU A 107
LEU A 103
GLY A 122
TYR A 125
 None
None
None
TLA  A 427 (-4.5A)
 0.95A 6ce2A-3i16A:
1.8		 6ce2A-3i16A:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		 1oht CG14704 PROTEIN
(Drosophila
melanogaster) 		5 / 12 SER A 108
ASN A 179
PHE A 175
GLY A 151
PHE A 166
 None
TLA  A1188 (-3.2A)
None
None
None
 1.35A 6dwnA-1ohtA:
undetectable		 6dwnA-1ohtA:
15.02
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.
6FGD_A_ACTA826_0
(GEPHYRIN)		 3os7 GALACTOSE
MUTAROTASE-LIKE
PROTEIN
(Clostridium
acetobutylicum) 		3 / 3 HIS A 108
ARG A  81
ILE A 107
 TLA  A 401 (-3.9A)
TLA  A 401 ( 4.1A)
None
 0.88A 6fgdA-3os7A:
undetectable		 6fgdA-3os7A:
21.59
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.
6GBN_B_ADNB501_2
(-)		 3dme CONSERVED EXPORTED
PROTEIN
(Bordetella
pertussis) 		4 / 5 GLN A  86
THR A 354
HIS A  52
LEU A 246
 None
FAD  A 500 (-3.8A)
TLA  A 999 ( 3.7A)
None
 1.22A 6gbnB-3dmeA:
undetectable		 6gbnB-3dmeA:
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.
6GIQ_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY
(Brevundimonas
sp.
BAL3) 		4 / 8 ASP A 208
GLY A 223
SER A 341
VAL A  15
 None
TLA  A 601 (-3.3A)
None
None
 1.11A 6giqL-6frlA:
undetectable
6giqP-6frlA:
undetectable
6giqT-6frlA:
undetectable		 6giqL-6frlA:
undetectable
6giqP-6frlA:
undetectable
6giqT-6frlA:
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.
6GTQ_B_ACTB207_0
(DUF1778
DOMAIN-CONTAINING
PROTEIN
N-ACETYLTRANSFERASE)		 5b19 ASPARTATE RACEMASE
(Picrophilus
torridus) 		4 / 6 THR A  16
CYH A  83
GLY A  10
ARG A  49
 None
TLA  A 301 (-3.1A)
None
TLA  A 301 (-3.8A)
 1.28A 6gtqB-5b19A:
undetectable
6gtqD-5b19A:
undetectable		 6gtqB-5b19A:
20.09
6gtqD-5b19A:
13.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HQB_B_PQNB2002_0
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 5o9h C5A ANAPHYLATOXIN
CHEMOTACTIC RECEPTOR
1
(Homo
sapiens) 		5 / 9 TRP A 161
ILE A  70
ALA A 153
LEU A 156
ALA A 160
 None
TLA  A 402 (-3.3A)
OLA  A 404 ( 4.0A)
9P2  A 401 (-3.9A)
9P2  A 401 ( 3.9A)
 1.46A 6hqbB-5o9hA:
1.2		 6hqbB-5o9hA:
22.35
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.
6HU9_S_PCFS603_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 5xvh 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING PROTEIN
(Pyrobaculum
calidifontis) 		4 / 7 GLN A 124
GLY A 230
PHE A 231
HIS A 278
 None
None
TLA  A 301 ( 4.1A)
None
 1.02A 6hu9S-5xvhA:
undetectable
6hu9q-5xvhA:
undetectable		 6hu9S-5xvhA:
undetectable
6hu9q-5xvhA:
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.
6MKE_A_FK5A201_0
(PEPTIDYLPROLYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 12 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.65A 6mkeA-5xb0A:
16.7
6mkeD-5xb0A:
16.2		 6mkeA-5xb0A:
18.38
6mkeD-5xb0A:
18.38
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.
6MKE_A_FK5A201_0
(PEPTIDYLPROLYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 12 TYR A 147
PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.05A 6mkeA-5xb0A:
16.7
6mkeD-5xb0A:
16.2		 6mkeA-5xb0A:
18.38
6mkeD-5xb0A:
18.38
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.
6MKE_B_FK5B201_0
(PEPTIDYLPROLYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		6 / 12 PHE A 166
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.11A 6mkeB-5xb0A:
16.7
6mkeC-5xb0A:
16.4		 6mkeB-5xb0A:
18.38
6mkeC-5xb0A:
18.38
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.
6MKE_B_FK5B201_0
(PEPTIDYLPROLYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 12 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.64A 6mkeB-5xb0A:
16.7
6mkeC-5xb0A:
16.4		 6mkeB-5xb0A:
18.38
6mkeC-5xb0A:
18.38
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.
6MKE_C_FK5C201_1
(PEPTIDYLPROLYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 10 PHE A 166
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.01A 6mkeC-5xb0A:
16.4		 6mkeC-5xb0A:
18.38
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.
6MKE_C_FK5C201_1
(PEPTIDYLPROLYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 10 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.69A 6mkeC-5xb0A:
16.4		 6mkeC-5xb0A:
18.38
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.
6MKE_D_FK5D201_1
(PEPTIDYLPROLYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		7 / 10 PHE A 166
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.6A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 1.02A 6mkeD-5xb0A:
16.2		 6mkeD-5xb0A:
18.38
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.
6MKE_D_FK5D201_1
(PEPTIDYLPROLYL
ISOMERASE)		 5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Pseudomonas
syringae
group
genomosp.
3) 		8 / 10 TYR A 147
ASP A 158
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 207
PHE A 215
 TLA  A 301 ( 4.4A)
TLA  A 301 (-3.7A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
TLA  A 301 (-3.4A)
None
None
None
 0.69A 6mkeD-5xb0A:
16.2		 6mkeD-5xb0A:
18.38
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.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 4mrq PHOSPHOMANNOMUTASE/P
HOSPHOGLUCOMUTASE
(Pseudomonas
aeruginosa) 		5 / 12 ASP A  18
SER A 309
HIS A 329
ASP A 242
ASP A 244
 TLA  A 502 ( 4.8A)
None
TLA  A 502 (-4.0A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 2.5A)
 1.27A 6n91A-4mrqA:
undetectable		 6n91A-4mrqA:
9.91
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.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 4mrq PHOSPHOMANNOMUTASE/P
HOSPHOGLUCOMUTASE
(Pseudomonas
aeruginosa) 		5 / 12 ASP A  18
SER A 309
HIS A 329
ASP A 242
ASP A 244
 TLA  A 502 ( 4.8A)
None
TLA  A 502 (-4.0A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 2.5A)
 1.26A 6n91B-4mrqA:
undetectable		 6n91B-4mrqA:
9.91