SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'PAU'


List of Similar Pattern of Amino Acids

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

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C8L_A_CFFA940_1
(PROTEIN (GLYCOGEN
PHOSPHORYLASE))		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		4 / 6 ASN A  91
PHE A 139
ALA A  82
GLY A 100
 None
None
None
PAU  A 301 (-3.4A)
 1.06A 1c8lA-4o5fA:
undetectable		 1c8lA-4o5fA:
15.01
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.
1DZ8_B_CAMB502_0
(CYTOCHROME P450-CAM)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 9 THR A 235
VAL A  62
GLY A   8
THR A  10
ASP A 125
 None
PAU  A 248 ( 4.4A)
PO4  A 247 (-3.5A)
PO4  A 247 (-3.6A)
None
 1.39A 1dz8B-3bexA:
undetectable		 1dz8B-3bexA:
19.14
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.
1DZ9_B_CAMB502_0
(CYTOCHROME P450-CAM)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 9 THR A 235
VAL A  62
GLY A   8
THR A  10
ASP A 125
 None
PAU  A 248 ( 4.4A)
PO4  A 247 (-3.5A)
PO4  A 247 (-3.6A)
None
 1.39A 1dz9B-3bexA:
undetectable		 1dz9B-3bexA:
19.14
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.
1GFZ_A_CFFA940_1
(GLYCOGEN
PHOSPHORYLASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		4 / 6 ASN A  91
PHE A 139
ALA A  82
GLY A 100
 None
None
None
PAU  A 301 (-3.4A)
 1.10A 1gfzA-4o5fA:
undetectable		 1gfzA-4o5fA:
15.01
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.
1JZS_A_MRCA1301_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		5 / 11 HIS A  34
HIS A  37
GLY A 146
ASP A 149
ILE A 175
 AMP  A 301 ( 4.5A)
AMP  A 301 (-3.9A)
AMP  A 301 (-3.3A)
PAU  A 302 ( 3.7A)
AMP  A 301 (-4.2A)
 1.12A 1jzsA-3uy4A:
undetectable		 1jzsA-3uy4A:
15.99
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.
1L7F_A_BCZA801_1
(NEURAMINIDASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		3 / 3 ARG A 186
ARG A  72
ARG A 120
 PAU  A 302 (-3.2A)
None
PAU  A 302 (-3.1A)
 0.80A 1l7fA-3uy4A:
undetectable		 1l7fA-3uy4A:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		3 / 3 ARG A 186
ARG A  72
ARG A 120
 PAU  A 302 (-3.2A)
None
PAU  A 302 (-3.1A)
 0.83A 1l7hA-3uy4A:
undetectable		 1l7hA-3uy4A:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PG2_A_ADNA552_1
(METHIONYL-TRNA
SYNTHETASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		5 / 11 HIS A  34
GLY A  36
HIS A  37
GLY A 146
ASP A 149
 AMP  A 301 ( 4.5A)
AMP  A 301 ( 3.9A)
AMP  A 301 (-3.9A)
AMP  A 301 (-3.3A)
PAU  A 302 ( 3.7A)
 1.03A 1pg2A-3uy4A:
3.6		 1pg2A-3uy4A:
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.
1QU2_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		5 / 12 HIS A  34
GLY A  36
HIS A  37
GLY A 146
ASP A 149
 AMP  A 301 ( 4.5A)
AMP  A 301 ( 3.9A)
AMP  A 301 (-3.9A)
AMP  A 301 (-3.3A)
PAU  A 302 ( 3.7A)
 0.95A 1qu2A-3uy4A:
4.5		 1qu2A-3uy4A:
14.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_B_SAMB302_1
(HEMK PROTEIN)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		3 / 3 ASP A  37
PHE A  32
ASN A  12
 None
None
PAU  A 302 (-4.6A)
 0.76A 1sg9B-5b8hA:
undetectable		 1sg9B-5b8hA:
20.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SQ5_A_PAUA6001_0
(PANTOTHENATE KINASE)		 1sq5 PANTOTHENATE KINASE
(Escherichia
coli) 		9 / 9 ASP A1127
LEU A1130
LYS A1145
GLY A1146
HIS A1177
LEU A1201
TYR A1240
ILE A1281
ASN A1282
 PAU  A6001 (-2.9A)
None
None
PAU  A6001 (-3.3A)
PAU  A6001 (-4.2A)
None
PAU  A6001 (-4.3A)
PAU  A6001 (-3.7A)
PAU  A6001 (-3.0A)
 0.00A 1sq5A-1sq5A:
50.7		 1sq5A-1sq5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SQ5_B_PAUB6003_0
(PANTOTHENATE KINASE)		 1sq5 PANTOTHENATE KINASE
(Escherichia
coli) 		10 / 10 ASP A1127
LEU A1130
LYS A1145
GLY A1146
HIS A1177
TYR A1180
LEU A1201
TYR A1240
ILE A1281
ASN A1282
 PAU  A6001 (-2.9A)
None
None
PAU  A6001 (-3.3A)
PAU  A6001 (-4.2A)
None
None
PAU  A6001 (-4.3A)
PAU  A6001 (-3.7A)
PAU  A6001 (-3.0A)
 0.11A 1sq5B-1sq5A:
49.0		 1sq5B-1sq5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SQ5_C_PAUC6002_0
(PANTOTHENATE KINASE)		 1sq5 PANTOTHENATE KINASE
(Escherichia
coli) 		9 / 9 ASP A1127
LEU A1130
LYS A1145
GLY A1146
HIS A1177
LEU A1201
TYR A1240
ILE A1281
ASN A1282
 PAU  A6001 (-2.9A)
None
None
PAU  A6001 (-3.3A)
PAU  A6001 (-4.2A)
None
PAU  A6001 (-4.3A)
PAU  A6001 (-3.7A)
PAU  A6001 (-3.0A)
 0.08A 1sq5C-1sq5A:
47.9		 1sq5C-1sq5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SQ5_D_PAUD6004_0
(PANTOTHENATE KINASE)		 1sq5 PANTOTHENATE KINASE
(Escherichia
coli) 		10 / 10 VAL A1097
ASP A1127
LEU A1130
LYS A1145
GLY A1146
HIS A1177
LEU A1201
TYR A1240
ILE A1281
ASN A1282
 ADP  A5001 ( 4.4A)
PAU  A6001 (-2.9A)
None
None
PAU  A6001 (-3.3A)
PAU  A6001 (-4.2A)
None
PAU  A6001 (-4.3A)
PAU  A6001 (-3.7A)
PAU  A6001 (-3.0A)
 0.10A 1sq5D-1sq5A:
49.2		 1sq5D-1sq5A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XVA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		5 / 12 VAL A  52
HIS A  34
ARG A 186
ILE A 273
TYR A  70
 None
AMP  A 301 ( 4.5A)
PAU  A 302 (-3.2A)
None
None
 1.47A 1xvaA-3uy4A:
2.5		 1xvaA-3uy4A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1M_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 7 THR A 235
VAL A  62
GLY A   8
THR A  10
ASP A 125
 None
PAU  A 248 ( 4.4A)
PO4  A 247 (-3.5A)
PO4  A 247 (-3.6A)
None
 1.40A 2a1mA-3bexA:
undetectable		 2a1mA-3bexA:
19.33
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.
2F9W_A_PAUA6001_0
(PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.50A 2f9wA-3bexA:
24.7
2f9wB-3bexA:
25.0		 2f9wA-3bexA:
27.37
2f9wB-3bexA:
27.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F9W_A_PAUA6001_0
(PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		8 / 11 ASN A  12
VAL A  55
TYR A  93
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.65A 2f9wA-4o5fA:
14.3
2f9wB-4o5fA:
25.6		 2f9wA-4o5fA:
32.09
2f9wB-4o5fA:
32.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F9W_A_PAUA6001_0
(PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		8 / 11 ASN A  12
VAL A  58
TYR A  96
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.66A 2f9wA-5b8hA:
26.6
2f9wB-5b8hA:
26.7		 2f9wA-5b8hA:
33.33
2f9wB-5b8hA:
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.
2F9W_A_PAUA6002_0
(PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 8 GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.49A 2f9wA-3bexA:
24.7
2f9wB-3bexA:
25.0		 2f9wA-3bexA:
27.37
2f9wB-3bexA:
27.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F9W_A_PAUA6002_0
(PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		6 / 8 TYR A  93
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 (-4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.50A 2f9wA-4o5fA:
14.3
2f9wB-4o5fA:
25.6		 2f9wA-4o5fA:
32.09
2f9wB-4o5fA:
32.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F9W_A_PAUA6002_0
(PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		6 / 8 TYR A  96
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.48A 2f9wA-5b8hA:
26.6
2f9wB-5b8hA:
26.7		 2f9wA-5b8hA:
33.33
2f9wB-5b8hA:
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.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL
(Homo
sapiens) 		5 / 11 GLY A 393
SER A 395
ASN A 500
THR A 411
GLY A 410
 PAU  A 602 (-3.3A)
PAU  A 602 (-3.1A)
None
None
PAU  A 602 (-3.3A)
 1.42A 2hmaA-5e26A:
undetectable		 2hmaA-5e26A:
20.40
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.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		5 / 11 HIS A  34
GLY A  36
HIS A  37
GLY A 146
ASP A 149
 AMP  A 301 ( 4.5A)
AMP  A 301 ( 3.9A)
AMP  A 301 (-3.9A)
AMP  A 301 (-3.3A)
PAU  A 302 ( 3.7A)
 0.98A 2x1lA-3uy4A:
5.6		 2x1lA-3uy4A:
18.90
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.
2X1L_B_ADNB601_1
(METHIONYL-TRNA
SYNTHETASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		5 / 12 HIS A  34
GLY A  36
HIS A  37
GLY A 146
ASP A 149
 AMP  A 301 ( 4.5A)
AMP  A 301 ( 3.9A)
AMP  A 301 (-3.9A)
AMP  A 301 (-3.3A)
PAU  A 302 ( 3.7A)
 0.92A 2x1lB-3uy4A:
6.4		 2x1lB-3uy4A:
18.90
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.
2X1L_C_ADNC601_1
(METHIONYL-TRNA
SYNTHETASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		5 / 11 HIS A  34
GLY A  36
HIS A  37
GLY A 146
ASP A 149
 AMP  A 301 ( 4.5A)
AMP  A 301 ( 3.9A)
AMP  A 301 (-3.9A)
AMP  A 301 (-3.3A)
PAU  A 302 ( 3.7A)
 0.94A 2x1lC-3uy4A:
5.6		 2x1lC-3uy4A:
18.90
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 1sq5 PANTOTHENATE KINASE
(Escherichia
coli) 		4 / 8 ASP A1127
TYR A1151
ASN A1202
GLY A1146
 PAU  A6001 (-2.9A)
None
None
PAU  A6001 (-3.3A)
 1.02A 2ys6A-1sq5A:
undetectable		 2ys6A-1sq5A:
22.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZS9_A_PAUA603_0
(PANTOTHENATE KINASE)		 1sq5 PANTOTHENATE KINASE
(Escherichia
coli) 		6 / 6 VAL A1097
ASP A1127
LYS A1145
HIS A1177
TYR A1180
ASN A1282
 ADP  A5001 ( 4.4A)
PAU  A6001 (-2.9A)
None
PAU  A6001 (-4.2A)
None
PAU  A6001 (-3.0A)
 0.61A 2zs9A-1sq5A:
37.4		 2zs9A-1sq5A:
52.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZSE_A_PAUA600_0
(PANTOTHENATE KINASE)		 1sq5 PANTOTHENATE KINASE
(Escherichia
coli) 		4 / 7 TYR A1240
PHE A1244
PHE A1259
ASN A1282
 PAU  A6001 (-4.3A)
None
None
PAU  A6001 (-3.0A)
 0.65A 2zseA-1sq5A:
37.2		 2zseA-1sq5A:
52.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		 1sq5 PANTOTHENATE KINASE
(Escherichia
coli) 		8 / 8 VAL A1097
ASP A1127
LEU A1130
LYS A1145
GLY A1146
TYR A1151
HIS A1177
TYR A1180
 ADP  A5001 ( 4.4A)
PAU  A6001 (-2.9A)
None
None
PAU  A6001 (-3.3A)
None
PAU  A6001 (-4.2A)
None
 0.37A 3af0A-1sq5A:
37.5		 3af0A-1sq5A:
52.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AVO_A_PAUA314_0
(PANTOTHENATE KINASE)		 1sq5 PANTOTHENATE KINASE
(Escherichia
coli) 		5 / 11 ASP A1127
LEU A1130
LYS A1145
TYR A1175
ASN A1285
 PAU  A6001 (-2.9A)
None
None
None
None
 1.38A 3avoA-1sq5A:
37.3		 3avoA-1sq5A:
51.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AVO_A_PAUA314_0
(PANTOTHENATE KINASE)		 1sq5 PANTOTHENATE KINASE
(Escherichia
coli) 		10 / 11 VAL A1097
ASP A1127
LEU A1130
LYS A1145
TYR A1151
TYR A1175
HIS A1177
TYR A1180
ILE A1281
ASN A1282
 ADP  A5001 ( 4.4A)
PAU  A6001 (-2.9A)
None
None
None
None
PAU  A6001 (-4.2A)
None
PAU  A6001 (-3.7A)
PAU  A6001 (-3.0A)
 0.56A 3avoA-1sq5A:
37.3		 3avoA-1sq5A:
51.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AVO_A_PAUA314_0
(PANTOTHENATE KINASE)		 1sq5 PANTOTHENATE KINASE
(Escherichia
coli) 		6 / 11 VAL A1097
ASP A1127
TYR A1175
HIS A1177
PHE A1259
ASN A1282
 ADP  A5001 ( 4.4A)
PAU  A6001 (-2.9A)
None
PAU  A6001 (-4.2A)
None
PAU  A6001 (-3.0A)
 1.13A 3avoA-1sq5A:
37.3		 3avoA-1sq5A:
51.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		 1sq5 PANTOTHENATE KINASE
(Escherichia
coli) 		5 / 7 VAL A1097
ASP A1127
HIS A1177
LEU A1201
ASN A1282
 ADP  A5001 ( 4.4A)
PAU  A6001 (-2.9A)
PAU  A6001 (-4.2A)
None
PAU  A6001 (-3.0A)
 1.00A 3avpA-1sq5A:
37.1		 3avpA-1sq5A:
52.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		 1sq5 PANTOTHENATE KINASE
(Escherichia
coli) 		5 / 7 VAL A1097
ASP A1127
LEU A1201
TYR A1240
ASN A1282
 ADP  A5001 ( 4.4A)
PAU  A6001 (-2.9A)
None
PAU  A6001 (-4.3A)
PAU  A6001 (-3.0A)
 0.92A 3avpA-1sq5A:
37.1		 3avpA-1sq5A:
52.66
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.
3BCR_A_AZZA940_1
(GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		4 / 5 ASN A  91
PHE A 139
ALA A  82
GLY A 100
 None
None
None
PAU  A 301 (-3.4A)
 1.06A 3bcrA-4o5fA:
undetectable		 3bcrA-4o5fA:
15.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BEX_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		6 / 10 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
 0.00A 3bexA-3bexA:
43.0
3bexB-3bexA:
41.8		 3bexA-3bexA:
100.00
3bexB-3bexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BEX_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		6 / 10 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
 0.35A 3bexA-4o5fA:
17.1
3bexB-4o5fA:
26.2		 3bexA-4o5fA:
24.82
3bexB-4o5fA:
24.82
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.
3BEX_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		6 / 10 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
 0.36A 3bexA-5b8hA:
17.3
3bexB-5b8hA:
26.8		 3bexA-5b8hA:
25.08
3bexB-5b8hA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BEX_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		6 / 9 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
 0.03A 3bexA-3bexA:
43.0
3bexB-3bexA:
41.8		 3bexA-3bexA:
100.00
3bexB-3bexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BEX_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		6 / 9 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
 0.36A 3bexA-4o5fA:
17.1
3bexB-4o5fA:
26.2		 3bexA-4o5fA:
24.82
3bexB-4o5fA:
24.82
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.
3BEX_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		6 / 9 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
 0.36A 3bexA-5b8hA:
17.3
3bexB-5b8hA:
26.8		 3bexA-5b8hA:
25.08
3bexB-5b8hA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.05A 3bexC-3bexA:
41.7
3bexD-3bexA:
41.8		 3bexC-3bexA:
100.00
3bexD-3bexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		7 / 11 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.35A 3bexC-4o5fA:
26.1
3bexD-4o5fA:
26.1		 3bexC-4o5fA:
24.82
3bexD-4o5fA:
24.82
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.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		7 / 11 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.37A 3bexC-5b8hA:
26.7
3bexD-5b8hA:
26.7		 3bexC-5b8hA:
25.08
3bexD-5b8hA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 10 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.04A 3bexC-3bexA:
41.7
3bexD-3bexA:
41.8		 3bexC-3bexA:
100.00
3bexD-3bexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		7 / 10 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.34A 3bexC-4o5fA:
26.1
3bexD-4o5fA:
26.1		 3bexC-4o5fA:
24.82
3bexD-4o5fA:
24.82
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.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		7 / 10 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.35A 3bexC-5b8hA:
26.7
3bexD-5b8hA:
26.7		 3bexC-5b8hA:
25.08
3bexD-5b8hA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BEX_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 10 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.05A 3bexE-3bexA:
41.1
3bexF-3bexA:
41.3		 3bexE-3bexA:
100.00
3bexF-3bexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BEX_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		7 / 10 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.34A 3bexE-4o5fA:
17.7
3bexF-4o5fA:
26.3		 3bexE-4o5fA:
24.82
3bexF-4o5fA:
24.82
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.
3BEX_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		7 / 10 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.35A 3bexE-5b8hA:
26.8
3bexF-5b8hA:
26.8		 3bexE-5b8hA:
25.08
3bexF-5b8hA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.04A 3bexE-3bexA:
41.1
3bexF-3bexA:
41.3		 3bexE-3bexA:
100.00
3bexF-3bexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		7 / 11 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.34A 3bexE-4o5fA:
17.7
3bexF-4o5fA:
26.3		 3bexE-4o5fA:
24.82
3bexF-4o5fA:
24.82
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.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		7 / 11 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.36A 3bexE-5b8hA:
26.8
3bexF-5b8hA:
26.8		 3bexE-5b8hA:
25.08
3bexF-5b8hA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.21A 3bf1A-3bexA:
41.3
3bf1B-3bexA:
41.2		 3bf1A-3bexA:
100.00
3bf1B-3bexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		7 / 11 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.42A 3bf1A-4o5fA:
18.3
3bf1B-4o5fA:
17.6		 3bf1A-4o5fA:
24.82
3bf1B-4o5fA:
24.82
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.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		7 / 11 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.43A 3bf1A-5b8hA:
26.7
3bf1B-5b8hA:
26.8		 3bf1A-5b8hA:
25.08
3bf1B-5b8hA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		8 / 12 ASN A   9
VAL A  62
VAL A 102
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 ( 4.0A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.26A 3bf1A-3bexA:
41.3
3bf1B-3bexA:
41.2		 3bf1A-3bexA:
100.00
3bf1B-3bexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		7 / 12 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.46A 3bf1A-4o5fA:
18.3
3bf1B-4o5fA:
17.6		 3bf1A-4o5fA:
24.82
3bf1B-4o5fA:
24.82
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.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		7 / 12 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.48A 3bf1A-5b8hA:
26.7
3bf1B-5b8hA:
26.8		 3bf1A-5b8hA:
25.08
3bf1B-5b8hA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BF1_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.09A 3bf1C-3bexA:
41.3
3bf1D-3bexA:
41.2		 3bf1C-3bexA:
100.00
3bf1D-3bexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		7 / 11 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.35A 3bf1C-4o5fA:
17.7
3bf1D-4o5fA:
26.1		 3bf1C-4o5fA:
24.82
3bf1D-4o5fA:
24.82
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.
3BF1_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		7 / 11 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.35A 3bf1C-5b8hA:
26.7
3bf1D-5b8hA:
26.7		 3bf1C-5b8hA:
25.08
3bf1D-5b8hA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.10A 3bf1C-3bexA:
41.3
3bf1D-3bexA:
41.2		 3bf1C-3bexA:
100.00
3bf1D-3bexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		7 / 11 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.37A 3bf1C-4o5fA:
17.7
3bf1D-4o5fA:
26.1		 3bf1C-4o5fA:
24.82
3bf1D-4o5fA:
24.82
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.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		7 / 11 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.38A 3bf1C-5b8hA:
26.7
3bf1D-5b8hA:
26.7		 3bf1C-5b8hA:
25.08
3bf1D-5b8hA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.08A 3bf1E-3bexA:
40.7
3bf1F-3bexA:
40.9		 3bf1E-3bexA:
100.00
3bf1F-3bexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		7 / 11 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.32A 3bf1E-4o5fA:
17.7
3bf1F-4o5fA:
5.6		 3bf1E-4o5fA:
24.82
3bf1F-4o5fA:
24.82
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.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		7 / 11 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.33A 3bf1E-5b8hA:
26.9
3bf1F-5b8hA:
14.7		 3bf1E-5b8hA:
25.08
3bf1F-5b8hA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 11 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.10A 3bf1E-3bexA:
40.7
3bf1F-3bexA:
40.9		 3bf1E-3bexA:
100.00
3bf1F-3bexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		7 / 11 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.34A 3bf1E-4o5fA:
17.7
3bf1F-4o5fA:
5.6		 3bf1E-4o5fA:
24.82
3bf1F-4o5fA:
24.82
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.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		7 / 11 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.36A 3bf1E-5b8hA:
26.9
3bf1F-5b8hA:
14.7		 3bf1E-5b8hA:
25.08
3bf1F-5b8hA:
25.08
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.
3GWX_A_EPAA1_2
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 12 THR A 130
THR A 131
ILE A 202
ILE A 199
TYR A 140
 None
PAU  A 248 (-4.5A)
None
None
None
 1.29A 3gwxA-3bexA:
undetectable		 3gwxA-3bexA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		 1sq5 PANTOTHENATE KINASE
(Escherichia
coli) 		4 / 7 TYR A1258
TYR A1262
PHE A1244
TYR A1240
 None
None
None
PAU  A6001 (-4.3A)
 1.25A 3ku9B-1sq5A:
undetectable		 3ku9B-1sq5A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWW_A_ROCA1001_1
(ENDOTHIAPEPSIN)		 5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ILE A 346
GLY A 393
LEU A 339
ILE A 504
ILE A 501
 None
PAU  A 602 (-3.3A)
None
None
None
 1.10A 3pwwA-5e26A:
undetectable		 3pwwA-5e26A:
22.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UY4_A_PAUA302_0
(PANTOTHENATE
SYNTHETASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		8 / 8 GLN A  60
ARG A 120
HIS A 123
VAL A 127
VAL A 130
ASP A 149
GLN A 152
ARG A 186
 PAU  A 302 (-2.9A)
PAU  A 302 (-3.1A)
PAU  A 302 (-4.5A)
PAU  A 302 (-3.9A)
None
PAU  A 302 ( 3.7A)
PAU  A 302 (-3.1A)
PAU  A 302 (-3.2A)
 0.04A 3uy4A-3uy4A:
49.0		 3uy4A-3uy4A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 12 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.34A 4o5fA-3bexA:
26.1
4o5fB-3bexA:
26.4		 4o5fA-3bexA:
24.82
4o5fB-3bexA:
24.82
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.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 12 ASN A   9
VAL A  62
TYR A 140
GLY A 103
ASP A 105
ARG A 106
THR A 131
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
None
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
 1.49A 4o5fA-3bexA:
26.1
4o5fB-3bexA:
26.4		 4o5fA-3bexA:
24.82
4o5fB-3bexA:
24.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		9 / 12 ASN A  12
VAL A  55
TYR A  93
LEU A  99
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-4.5A)
PAU  A 301 ( 4.6A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.00A 4o5fA-4o5fA:
44.7
4o5fB-4o5fA:
36.6		 4o5fA-4o5fA:
100.00
4o5fB-4o5fA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		9 / 12 ASN A  12
VAL A  58
TYR A  96
LEU A 102
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-4.4A)
PAU  A 302 (-4.6A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.14A 4o5fA-5b8hA:
36.6
4o5fB-5b8hA:
36.8		 4o5fA-5b8hA:
71.33
4o5fB-5b8hA:
71.33
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.
4O5F_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 12 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.36A 4o5fA-3bexA:
26.1
4o5fB-3bexA:
26.4		 4o5fA-3bexA:
24.82
4o5fB-3bexA:
24.82
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.
4O5F_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 12 ASN A   9
VAL A  62
TYR A 140
GLY A 103
ASP A 105
ARG A 106
THR A 131
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
None
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
 1.48A 4o5fA-3bexA:
26.1
4o5fB-3bexA:
26.4		 4o5fA-3bexA:
24.82
4o5fB-3bexA:
24.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O5F_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		9 / 12 ASN A  12
VAL A  55
TYR A  93
LEU A  99
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-4.5A)
PAU  A 301 ( 4.6A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.10A 4o5fA-4o5fA:
44.7
4o5fB-4o5fA:
36.6		 4o5fA-4o5fA:
100.00
4o5fB-4o5fA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O5F_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		9 / 12 ASN A  12
VAL A  58
TYR A  96
LEU A 102
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-4.4A)
PAU  A 302 (-4.6A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.11A 4o5fA-5b8hA:
36.6
4o5fB-5b8hA:
36.8		 4o5fA-5b8hA:
71.33
4o5fB-5b8hA:
71.33
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.
5B8H_A_PAUA302_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 12 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.35A 5b8hA-3bexA:
17.2
5b8hB-3bexA:
26.1		 5b8hA-3bexA:
25.08
5b8hB-3bexA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5B8H_A_PAUA302_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		9 / 12 ASN A  12
VAL A  55
TYR A  93
LEU A  99
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-4.5A)
PAU  A 301 ( 4.6A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.13A 5b8hA-4o5fA:
36.6
5b8hB-4o5fA:
20.5		 5b8hA-4o5fA:
71.33
5b8hB-4o5fA:
71.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5B8H_A_PAUA302_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		9 / 12 ASN A  12
VAL A  58
TYR A  96
LEU A 102
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-4.4A)
PAU  A 302 (-4.6A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.01A 5b8hA-5b8hA:
44.3
5b8hB-5b8hA:
40.5		 5b8hA-5b8hA:
100.00
5b8hB-5b8hA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B8H_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 12 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.37A 5b8hA-3bexA:
17.2
5b8hB-3bexA:
26.1		 5b8hA-3bexA:
25.08
5b8hB-3bexA:
25.08
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.
5B8H_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		7 / 12 ASN A   9
VAL A  62
TYR A 140
GLY A 103
ASP A 105
ARG A 106
THR A 131
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
None
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
 1.48A 5b8hA-3bexA:
17.2
5b8hB-3bexA:
26.1		 5b8hA-3bexA:
25.08
5b8hB-3bexA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5B8H_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 4o5f TYPE III
PANTOTHENATE KINASE
(Burkholderia
thailandensis) 		9 / 12 ASN A  12
VAL A  55
TYR A  93
LEU A  99
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-4.5A)
PAU  A 301 ( 4.6A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.13A 5b8hA-4o5fA:
36.6
5b8hB-4o5fA:
20.5		 5b8hA-4o5fA:
71.33
5b8hB-4o5fA:
71.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5B8H_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		9 / 12 ASN A  12
VAL A  58
TYR A  96
LEU A 102
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-4.4A)
PAU  A 302 (-4.6A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.11A 5b8hA-5b8hA:
44.3
5b8hB-5b8hA:
40.5		 5b8hA-5b8hA:
100.00
5b8hB-5b8hA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E26_A_PAUA602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		4 / 7 GLY A 128
SER A  13
GLY A  11
ALA A 130
 2PN  A 301 (-3.3A)
2PN  A 301 (-3.9A)
2PN  A 301 (-3.2A)
PAU  A 302 ( 4.4A)
 0.97A 5e26A-5b8hA:
11.7
5e26B-5b8hA:
10.9		 5e26A-5b8hA:
22.69
5e26B-5b8hA:
22.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E26_A_PAUA602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL
(Homo
sapiens) 		5 / 7 GLU A 338
GLY A 393
SER A 395
ARG A 407
GLY A 410
 PAU  A 602 (-2.7A)
PAU  A 602 (-3.3A)
PAU  A 602 (-3.1A)
PAU  A 602 (-3.3A)
PAU  A 602 (-3.3A)
 0.02A 5e26A-5e26A:
60.2
5e26B-5e26A:
55.8		 5e26A-5e26A:
100.00
5e26B-5e26A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E26_B_PAUB601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL
(Homo
sapiens) 		5 / 7 GLU A 338
GLY A 393
SER A 395
ARG A 407
GLY A 410
 PAU  A 602 (-2.7A)
PAU  A 602 (-3.3A)
PAU  A 602 (-3.1A)
PAU  A 602 (-3.3A)
PAU  A 602 (-3.3A)
 0.17A 5e26A-5e26A:
60.2
5e26B-5e26A:
55.8		 5e26A-5e26A:
100.00
5e26B-5e26A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E26_C_PAUC602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL
(Homo
sapiens) 		5 / 7 GLU A 338
GLY A 393
SER A 395
ARG A 407
GLY A 410
 PAU  A 602 (-2.7A)
PAU  A 602 (-3.3A)
PAU  A 602 (-3.1A)
PAU  A 602 (-3.3A)
PAU  A 602 (-3.3A)
 0.11A 5e26C-5e26A:
56.3
5e26D-5e26A:
56.0		 5e26C-5e26A:
100.00
5e26D-5e26A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E26_D_PAUD601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL
(Homo
sapiens) 		5 / 8 GLU A 338
GLY A 393
SER A 395
ARG A 407
GLY A 410
 PAU  A 602 (-2.7A)
PAU  A 602 (-3.3A)
PAU  A 602 (-3.1A)
PAU  A 602 (-3.3A)
PAU  A 602 (-3.3A)
 0.12A 5e26C-5e26A:
56.3
5e26D-5e26A:
56.0		 5e26C-5e26A:
100.00
5e26D-5e26A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HG0_A_SAMA301_0
(PANTOTHENATE
SYNTHETASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		9 / 12 HIS A  34
GLY A  36
LEU A  40
GLN A  60
TYR A  70
VAL A 130
GLY A 146
LYS A 148
ASP A 149
 AMP  A 301 ( 4.5A)
AMP  A 301 ( 3.9A)
AMP  A 301 (-4.8A)
PAU  A 302 (-2.9A)
None
None
AMP  A 301 (-3.3A)
None
PAU  A 302 ( 3.7A)
 0.48A 5hg0A-3uy4A:
32.8		 5hg0A-3uy4A:
36.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HG0_A_SAMA301_0
(PANTOTHENATE
SYNTHETASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		6 / 12 HIS A  37
GLY A  36
GLN A  60
TYR A  70
GLY A 146
ASP A 149
 AMP  A 301 (-3.9A)
AMP  A 301 ( 3.9A)
PAU  A 302 (-2.9A)
None
AMP  A 301 (-3.3A)
PAU  A 302 ( 3.7A)
 1.44A 5hg0A-3uy4A:
32.8		 5hg0A-3uy4A:
36.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HG0_B_SAMB301_0
(PANTOTHENATE
SYNTHETASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		6 / 12 HIS A  34
GLY A  36
HIS A  37
LEU A  40
TYR A  70
VAL A 127
 AMP  A 301 ( 4.5A)
AMP  A 301 ( 3.9A)
AMP  A 301 (-3.9A)
AMP  A 301 (-4.8A)
None
PAU  A 302 (-3.9A)
 1.11A 5hg0B-3uy4A:
32.7		 5hg0B-3uy4A:
36.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HG0_B_SAMB301_0
(PANTOTHENATE
SYNTHETASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		8 / 12 HIS A  34
GLY A  36
HIS A  37
LEU A  40
TYR A  70
VAL A 130
GLY A 146
ASP A 149
 AMP  A 301 ( 4.5A)
AMP  A 301 ( 3.9A)
AMP  A 301 (-3.9A)
AMP  A 301 (-4.8A)
None
None
AMP  A 301 (-3.3A)
PAU  A 302 ( 3.7A)
 0.23A 5hg0B-3uy4A:
32.7		 5hg0B-3uy4A:
36.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HG0_B_SAMB301_0
(PANTOTHENATE
SYNTHETASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		8 / 12 HIS A  34
GLY A  36
LEU A  40
TYR A  70
VAL A 130
GLY A 146
LYS A 148
ASP A 149
 AMP  A 301 ( 4.5A)
AMP  A 301 ( 3.9A)
AMP  A 301 (-4.8A)
None
None
AMP  A 301 (-3.3A)
None
PAU  A 302 ( 3.7A)
 0.55A 5hg0B-3uy4A:
32.7		 5hg0B-3uy4A:
36.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KPR_A_PAUA404_0
(PANTOTHENATE KINASE
3)		 5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL
(Homo
sapiens) 		5 / 5 GLU A 338
GLY A 393
SER A 395
ARG A 407
GLY A 410
 PAU  A 602 (-2.7A)
PAU  A 602 (-3.3A)
PAU  A 602 (-3.1A)
PAU  A 602 (-3.3A)
PAU  A 602 (-3.3A)
 0.30A 5kprA-5e26A:
51.4		 5kprA-5e26A:
82.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		5 / 12 ILE A 175
ASP A 179
LEU A 181
GLY A 180
ASP A 149
 AMP  A 301 (-4.2A)
None
None
None
PAU  A 302 ( 3.7A)
 1.03A 5x66A-3uy4A:
undetectable
5x66B-3uy4A:
undetectable		 5x66A-3uy4A:
22.46
5x66B-3uy4A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BZO_C_FI8C1201_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 3bex TYPE III
PANTOTHENATE KINASE
(Thermotoga
maritima) 		5 / 12 ILE A 145
THR A 131
VAL A 111
VAL A 114
LYS A 115
 PAU  A 248 ( 4.3A)
PAU  A 248 (-4.5A)
None
None
None
 1.29A 6bzoC-3bexA:
undetectable		 6bzoC-3bexA:
11.90
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.
6G1P_B_ACTB403_0
(ADP-RIBOSYLHYDROLASE
LIKE 2)		 3uy4 PANTOTHENATE
SYNTHETASE
(Campylobacter
jejuni) 		3 / 3 PHE A  61
ARG A 120
GLN A  60
 None
PAU  A 302 (-3.1A)
PAU  A 302 (-2.9A)
 1.18A 6g1pB-3uy4A:
undetectable		 6g1pB-3uy4A:
22.28