SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5xoh'

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.
1FPQ_A_SAMA1699_0
(ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		6 / 10 GLY A 203
ASP A 226
LEU A 227
VAL A 230
ASP A 246
TRP A 266
 SAH  A 401 (-3.4A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
SAH  A 401 (-3.7A)
None
 0.27A 1fpqA-5xohA:
21.9		 1fpqA-5xohA:
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.
1QZZ_A_SAMA635_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		6 / 12 GLY A 203
GLY A 204
GLY A 205
LEU A 227
ASP A 246
TRP A 266
 SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
None
 0.42A 1qzzA-5xohA:
23.1		 1qzzA-5xohA:
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.
1XDS_A_SAMA5635_0
(PROTEIN RDMB)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		6 / 12 GLY A 203
GLY A 204
GLY A 205
LEU A 227
ASP A 246
TRP A 266
 SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
None
 0.29A 1xdsA-5xohA:
26.0		 1xdsA-5xohA:
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.
1XDS_B_SAMB9635_0
(PROTEIN RDMB)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		6 / 12 GLY A 203
GLY A 204
GLY A 205
LEU A 227
ASP A 246
TRP A 266
 SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
None
 0.33A 1xdsB-5xohA:
24.5		 1xdsB-5xohA:
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.
2NYU_B_SAMB201_1
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		4 / 5 ALA A 208
ASP A 226
ASP A 246
ASP A 201
 None
SAH  A 401 (-2.9A)
SAH  A 401 (-3.7A)
SAH  A 401 ( 4.5A)
 1.18A 2nyuB-5xohA:
10.1		 2nyuB-5xohA:
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.
2ZXW_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		4 / 7 ILE A 289
PHE A 193
MET A 183
THR A 182
 None
 1.01A 2zxwN-5xohA:
0.6
2zxwW-5xohA:
undetectable		 2zxwN-5xohA:
undetectable
2zxwW-5xohA:
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.
3EM0_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		4 / 7 PHE A 167
PHE A 149
TYR A 319
GLY A 323
 None
None
8B6  A 402 ( 4.9A)
None
 1.07A 3em0B-5xohA:
undetectable		 3em0B-5xohA:
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.
3I5U_A_SAMA401_0
(O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		6 / 12 PHE A 171
MET A 175
GLY A 204
GLY A 205
LEU A 227
TRP A 266
 8B6  A 402 ( 4.9A)
8B6  A 402 ( 3.6A)
SAH  A 401 ( 3.9A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-4.1A)
None
 0.34A 3i5uA-5xohA:
26.7		 3i5uA-5xohA:
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.
3I5U_B_SAMB401_0
(O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 12 MET A 175
GLY A 204
GLY A 205
LEU A 227
TRP A 266
 8B6  A 402 ( 3.6A)
SAH  A 401 ( 3.9A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-4.1A)
None
 0.26A 3i5uB-5xohA:
27.0		 3i5uB-5xohA:
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.
3IHT_A_SAMA200_0
(S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 12 GLY A 203
GLY A 205
GLY A 207
THR A 209
ASP A 246
 SAH  A 401 (-3.4A)
SAH  A 401 ( 3.7A)
None
None
SAH  A 401 (-3.7A)
 1.02A 3ihtA-5xohA:
6.3		 3ihtA-5xohA:
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 11 LEU A  40
ASN A  41
LEU A  37
LEU A  79
LEU A  76
 None
 1.06A 3ndvA-5xohA:
undetectable
3ndvB-5xohA:
undetectable		 3ndvA-5xohA:
13.95
3ndvB-5xohA:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 11 LEU A  79
LEU A  76
LEU A  40
ASN A  41
LEU A  37
 None
 1.12A 3ndvA-5xohA:
undetectable
3ndvB-5xohA:
undetectable		 3ndvA-5xohA:
13.95
3ndvB-5xohA:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 11 LEU A  40
ASN A  41
LEU A  37
LEU A  79
LEU A  76
 None
 1.09A 3ndvC-5xohA:
undetectable
3ndvD-5xohA:
undetectable		 3ndvC-5xohA:
13.95
3ndvD-5xohA:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 11 LEU A  79
LEU A  76
LEU A  40
ASN A  41
LEU A  37
 None
 1.07A 3ndvC-5xohA:
undetectable
3ndvD-5xohA:
undetectable		 3ndvC-5xohA:
13.95
3ndvD-5xohA:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_C_SAMC300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		3 / 3 GLY A 205
ASP A 226
ASP A 246
 SAH  A 401 ( 3.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-3.7A)
 0.38A 3ou7C-5xohA:
12.8		 3ou7C-5xohA:
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.
4A6E_A_SAMA1349_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 12 PHE A 158
GLY A 203
GLY A 205
VAL A 230
TRP A 266
 SAH  A 401 ( 3.6A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.7A)
None
None
 0.55A 4a6eA-5xohA:
33.3		 4a6eA-5xohA:
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.
4N16_A_CHDA301_0
(CARBONIC ANHYDRASE 2)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		4 / 8 ILE A 213
HIS A 178
PHE A 193
THR A 352
 None
 0.84A 4n16A-5xohA:
undetectable		 4n16A-5xohA:
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.
4PGH_A_SAMA401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		10 / 11 SER A 179
GLY A 203
GLY A 204
ASP A 226
LEU A 227
VAL A 230
ASP A 246
MET A 247
LYS A 260
ILE A 262
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
SAH  A 401 (-2.8A)
None
 0.84A 4pghA-5xohA:
38.4		 4pghA-5xohA:
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.
4PGH_A_SAMA401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		10 / 11 SER A 179
GLY A 203
GLY A 204
THR A 209
ASP A 226
LEU A 227
VAL A 230
ASP A 246
MET A 247
ILE A 262
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
None
 0.62A 4pghA-5xohA:
38.4		 4pghA-5xohA:
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.
4PGH_A_SAMA401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		8 / 11 SER A 179
GLY A 203
GLY A 204
THR A 209
VAL A 231
ASP A 246
MET A 247
ILE A 262
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
None
None
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
None
 1.10A 4pghA-5xohA:
38.4		 4pghA-5xohA:
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.
4PGH_A_SAMA401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		8 / 11 SER A 179
GLY A 205
THR A 209
ASP A 226
LEU A 227
ASP A 246
MET A 247
ILE A 262
 SAH  A 401 (-3.0A)
SAH  A 401 ( 3.7A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
None
 1.23A 4pghA-5xohA:
38.4		 4pghA-5xohA:
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.
4PGH_B_SAMB401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		10 / 12 SER A 179
ASP A 201
GLY A 203
ASP A 226
LEU A 227
ASP A 246
MET A 247
LYS A 260
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 ( 4.5A)
SAH  A 401 (-3.4A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
SAH  A 401 (-2.8A)
None
None
 0.82A 4pghB-5xohA:
38.5		 4pghB-5xohA:
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.
4PGH_B_SAMB401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		10 / 12 SER A 179
ASP A 201
GLY A 203
THR A 209
ASP A 226
LEU A 227
ASP A 246
MET A 247
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 ( 4.5A)
SAH  A 401 (-3.4A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
None
None
 0.67A 4pghB-5xohA:
38.5		 4pghB-5xohA:
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.
4PGH_C_SAMC401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		10 / 11 GLY A 203
ASP A 226
LEU A 227
VAL A 230
ASP A 246
MET A 247
LYS A 260
TRP A 261
ILE A 262
TRP A 266
 SAH  A 401 (-3.4A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
SAH  A 401 (-2.8A)
8B6  A 402 (-3.9A)
None
None
 0.68A 4pghC-5xohA:
38.0		 4pghC-5xohA:
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.
4PGH_C_SAMC401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 11 GLY A 204
ASP A 226
VAL A 230
LYS A 260
TRP A 261
 SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
None
SAH  A 401 (-2.8A)
8B6  A 402 (-3.9A)
 1.26A 4pghC-5xohA:
38.0		 4pghC-5xohA:
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.
4PGH_C_SAMC401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		9 / 11 SER A 179
GLY A 203
ASP A 226
LEU A 227
ASP A 246
MET A 247
LYS A 260
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
SAH  A 401 (-2.8A)
None
None
 0.79A 4pghC-5xohA:
38.0		 4pghC-5xohA:
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.
4PGH_C_SAMC401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		6 / 11 SER A 179
GLY A 203
VAL A 231
ASP A 246
MET A 247
ILE A 262
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
None
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
None
 1.12A 4pghC-5xohA:
38.0		 4pghC-5xohA:
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		8 / 12 SER A 179
GLY A 203
GLY A 204
ASP A 226
LEU A 227
ASP A 246
PHE A 248
LYS A 260
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
None
SAH  A 401 (-2.8A)
 1.18A 4pghD-5xohA:
37.9		 4pghD-5xohA:
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		9 / 12 SER A 179
GLY A 203
GLY A 204
ASP A 226
LEU A 227
PHE A 248
LYS A 260
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
SAH  A 401 (-2.8A)
None
None
 1.00A 4pghD-5xohA:
37.9		 4pghD-5xohA:
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		9 / 12 SER A 179
GLY A 203
GLY A 204
ASP A 226
MET A 247
PHE A 248
LYS A 260
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
SAH  A 401 (-3.8A)
None
SAH  A 401 (-2.8A)
None
None
 1.08A 4pghD-5xohA:
37.9		 4pghD-5xohA:
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		8 / 12 SER A 179
GLY A 203
GLY A 204
THR A 209
ASP A 226
LEU A 227
ASP A 246
PHE A 248
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
None
 0.92A 4pghD-5xohA:
37.9		 4pghD-5xohA:
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		9 / 12 SER A 179
GLY A 203
GLY A 204
THR A 209
ASP A 226
LEU A 227
PHE A 248
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
None
None
 0.82A 4pghD-5xohA:
37.9		 4pghD-5xohA:
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		9 / 12 SER A 179
GLY A 203
GLY A 204
THR A 209
ASP A 226
MET A 247
PHE A 248
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-3.8A)
None
None
None
 0.92A 4pghD-5xohA:
37.9		 4pghD-5xohA:
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		8 / 12 SER A 179
GLY A 205
ASP A 226
LEU A 227
PHE A 248
LYS A 260
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
SAH  A 401 (-2.8A)
None
None
 1.39A 4pghD-5xohA:
37.9		 4pghD-5xohA:
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		8 / 12 SER A 179
GLY A 205
ASP A 226
MET A 247
PHE A 248
LYS A 260
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-3.8A)
None
SAH  A 401 (-2.8A)
None
None
 1.42A 4pghD-5xohA:
37.9		 4pghD-5xohA:
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		7 / 12 SER A 179
GLY A 205
THR A 209
ASP A 226
LEU A 227
ASP A 246
PHE A 248
 SAH  A 401 (-3.0A)
SAH  A 401 ( 3.7A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
None
 1.46A 4pghD-5xohA:
37.9		 4pghD-5xohA:
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		8 / 12 SER A 179
GLY A 205
THR A 209
ASP A 226
LEU A 227
PHE A 248
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 ( 3.7A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
None
None
 1.34A 4pghD-5xohA:
37.9		 4pghD-5xohA:
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		8 / 12 SER A 179
GLY A 205
THR A 209
ASP A 226
MET A 247
PHE A 248
ILE A 262
TRP A 266
 SAH  A 401 (-3.0A)
SAH  A 401 ( 3.7A)
None
SAH  A 401 (-2.9A)
SAH  A 401 (-3.8A)
None
None
None
 1.38A 4pghD-5xohA:
37.9		 4pghD-5xohA:
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.
4WG0_B_CHDB102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 11 LEU A 110
LEU A  40
LEU A  31
ALA A  80
LEU A  79
 None
 0.99A 4wg0B-5xohA:
undetectable
4wg0C-5xohA:
undetectable
4wg0D-5xohA:
undetectable		 4wg0B-5xohA:
undetectable
4wg0C-5xohA:
undetectable
4wg0D-5xohA:
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.
4WG0_D_CHDD102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 11 LEU A 110
LEU A  40
LEU A  31
ALA A  80
LEU A  79
 None
 1.00A 4wg0D-5xohA:
undetectable
4wg0E-5xohA:
undetectable
4wg0F-5xohA:
undetectable		 4wg0D-5xohA:
undetectable
4wg0E-5xohA:
undetectable
4wg0F-5xohA:
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.
4WG0_F_CHDF103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 11 LEU A 110
LEU A  40
LEU A  31
ALA A  80
LEU A  79
 None
 1.02A 4wg0F-5xohA:
undetectable
4wg0G-5xohA:
undetectable
4wg0H-5xohA:
undetectable		 4wg0F-5xohA:
undetectable
4wg0G-5xohA:
undetectable
4wg0H-5xohA:
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.
4WG0_H_CHDH103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 11 LEU A 110
LEU A  40
LEU A  31
ALA A  80
LEU A  79
 None
 1.05A 4wg0H-5xohA:
undetectable
4wg0I-5xohA:
undetectable
4wg0J-5xohA:
undetectable		 4wg0H-5xohA:
undetectable
4wg0I-5xohA:
undetectable
4wg0J-5xohA:
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.
4WG0_I_CHDI103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 11 ALA A  80
LEU A  79
LEU A  31
LEU A 110
LEU A  40
 None
 1.03A 4wg0G-5xohA:
undetectable
4wg0H-5xohA:
undetectable
4wg0I-5xohA:
undetectable		 4wg0G-5xohA:
undetectable
4wg0H-5xohA:
undetectable
4wg0I-5xohA:
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.
4WG0_J_CHDJ103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 11 LEU A 110
LEU A  40
LEU A  31
ALA A  80
LEU A  79
 None
 1.03A 4wg0J-5xohA:
undetectable
4wg0K-5xohA:
undetectable
4wg0L-5xohA:
undetectable		 4wg0J-5xohA:
undetectable
4wg0K-5xohA:
undetectable
4wg0L-5xohA:
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.
4WG0_K_CHDK103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 11 ALA A  80
LEU A  79
LEU A  31
LEU A 110
LEU A  40
 None
 1.03A 4wg0I-5xohA:
undetectable
4wg0J-5xohA:
undetectable
4wg0K-5xohA:
undetectable		 4wg0I-5xohA:
undetectable
4wg0J-5xohA:
undetectable
4wg0K-5xohA:
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.
4WG0_M_CHDM103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 11 ALA A  80
LEU A  79
LEU A  31
LEU A 110
LEU A  40
 None
 1.02A 4wg0K-5xohA:
undetectable
4wg0L-5xohA:
undetectable
4wg0M-5xohA:
undetectable		 4wg0K-5xohA:
undetectable
4wg0L-5xohA:
undetectable
4wg0M-5xohA:
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.
5W7P_A_SAMA501_0
(OXAC)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 12 PHE A 158
GLY A 204
LEU A 227
VAL A 230
TRP A 266
 SAH  A 401 ( 3.6A)
SAH  A 401 ( 3.9A)
SAH  A 401 (-4.1A)
None
None
 0.50A 5w7pA-5xohA:
27.2		 5w7pA-5xohA:
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.
6I5Z_D_SAMD401_0
(O-METHYLTRANSFERASE
1)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		9 / 11 GLY A 203
GLY A 205
ASP A 226
LEU A 227
VAL A 230
ASP A 246
MET A 247
LYS A 260
TRP A 261
 SAH  A 401 (-3.4A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
None
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
SAH  A 401 (-2.8A)
8B6  A 402 (-3.9A)
 0.58A 6i5zD-5xohA:
34.3		 6i5zD-5xohA:
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.
6I5Z_D_SAMD401_0
(O-METHYLTRANSFERASE
1)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 11 GLY A 203
GLY A 205
VAL A 231
ASP A 246
MET A 247
 SAH  A 401 (-3.4A)
SAH  A 401 ( 3.7A)
None
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
 1.28A 6i5zD-5xohA:
34.3		 6i5zD-5xohA:
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.
6I5Z_D_SAMD401_0
(O-METHYLTRANSFERASE
1)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		6 / 11 GLY A 204
ASP A 226
LEU A 227
ASP A 246
MET A 247
TRP A 261
 SAH  A 401 ( 3.9A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.8A)
8B6  A 402 (-3.9A)
 1.11A 6i5zD-5xohA:
34.3		 6i5zD-5xohA:
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.
6NJ9_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 5xoh BERGAPTOL
O-METHYLTRANSFERASE
(Peucedanum
praeruptorum) 		5 / 12 ASP A 201
GLY A 203
GLY A 205
ASP A 246
PHE A 258
 SAH  A 401 ( 4.5A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-3.7A)
None
 0.87A 6nj9K-5xohA:
7.7		 6nj9K-5xohA:
undetectable