SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2toh'

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.
1D4F_C_ADNC603_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 12 LEU A 400
GLY A 335
HIS A 252
MET A 339
PHE A 345
 None
 1.43A 1d4fC-2tohA:
undetectable		 1d4fC-2tohA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 11 GLU A 332
HIS A 331
GLU A 376
LYS A 301
TYR A 371
 HBI  A 500 (-3.2A)
FE  A 501 ( 3.3A)
FE  A 501 (-2.1A)
MTY  A 300 ( 2.9A)
MTY  A 300 (-3.9A)
 1.25A 1j37A-2tohA:
undetectable		 1j37A-2tohA:
22.41
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.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 11 GLU A 332
HIS A 331
GLU A 376
LYS A 301
TYR A 371
 HBI  A 500 (-3.2A)
FE  A 501 ( 3.3A)
FE  A 501 (-2.1A)
MTY  A 300 ( 2.9A)
MTY  A 300 (-3.9A)
 1.25A 1j37B-2tohA:
undetectable		 1j37B-2tohA:
22.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J8U_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 7 VAL A 291
LEU A 294
LEU A 295
LEU A 301
 HBI  A 500 ( 4.6A)
HBI  A 500 (-4.7A)
HBI  A 500 (-4.2A)
MTY  A 300 ( 4.2A)
 0.53A 1j8uA-2tohA:
48.7		 1j8uA-2tohA:
59.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KW0_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		9 / 12 LEU A 294
LEU A 295
LEU A 301
THR A 312
GLU A 332
HIS A 336
TYR A 371
TRP A 372
GLU A 376
 HBI  A 500 (-4.7A)
HBI  A 500 (-4.2A)
MTY  A 300 ( 4.2A)
HBI  A 500 ( 4.4A)
HBI  A 500 (-3.2A)
FE  A 501 ( 3.4A)
MTY  A 300 (-3.9A)
None
FE  A 501 (-2.1A)
 0.97A 1kw0A-2tohA:
42.9		 1kw0A-2tohA:
59.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KW0_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		9 / 12 VAL A 291
LEU A 294
LEU A 295
LEU A 301
THR A 312
GLU A 332
HIS A 336
TRP A 372
GLU A 376
 HBI  A 500 ( 4.6A)
HBI  A 500 (-4.7A)
HBI  A 500 (-4.2A)
MTY  A 300 ( 4.2A)
HBI  A 500 ( 4.4A)
HBI  A 500 (-3.2A)
FE  A 501 ( 3.4A)
None
FE  A 501 (-2.1A)
 0.91A 1kw0A-2tohA:
42.9		 1kw0A-2tohA:
59.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MMK_A_H4BA1427_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		8 / 12 LEU A 294
LEU A 295
LEU A 301
GLU A 332
HIS A 336
TYR A 371
TRP A 372
GLU A 376
 HBI  A 500 (-4.7A)
HBI  A 500 (-4.2A)
MTY  A 300 ( 4.2A)
HBI  A 500 (-3.2A)
FE  A 501 ( 3.4A)
MTY  A 300 (-3.9A)
None
FE  A 501 (-2.1A)
 1.00A 1mmkA-2tohA:
43.0		 1mmkA-2tohA:
59.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MMK_A_H4BA1427_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		8 / 12 VAL A 291
LEU A 294
LEU A 295
LEU A 301
GLU A 332
HIS A 336
TRP A 372
GLU A 376
 HBI  A 500 ( 4.6A)
HBI  A 500 (-4.7A)
HBI  A 500 (-4.2A)
MTY  A 300 ( 4.2A)
HBI  A 500 (-3.2A)
FE  A 501 ( 3.4A)
None
FE  A 501 (-2.1A)
 0.94A 1mmkA-2tohA:
43.0		 1mmkA-2tohA:
59.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MMT_A_H4BA1426_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		8 / 11 LEU A 294
LEU A 295
LEU A 301
THR A 312
GLU A 332
HIS A 336
TYR A 371
GLU A 376
 HBI  A 500 (-4.7A)
HBI  A 500 (-4.2A)
MTY  A 300 ( 4.2A)
HBI  A 500 ( 4.4A)
HBI  A 500 (-3.2A)
FE  A 501 ( 3.4A)
MTY  A 300 (-3.9A)
FE  A 501 (-2.1A)
 0.86A 1mmtA-2tohA:
43.0		 1mmtA-2tohA:
59.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MMT_A_H4BA1426_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		8 / 11 VAL A 291
LEU A 294
LEU A 295
LEU A 301
THR A 312
GLU A 332
HIS A 336
GLU A 376
 HBI  A 500 ( 4.6A)
HBI  A 500 (-4.7A)
HBI  A 500 (-4.2A)
MTY  A 300 ( 4.2A)
HBI  A 500 ( 4.4A)
HBI  A 500 (-3.2A)
FE  A 501 ( 3.4A)
FE  A 501 (-2.1A)
 0.84A 1mmtA-2tohA:
43.0		 1mmtA-2tohA:
59.47
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.
1Q23_F_FUAF704_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 11 PHE A 456
SER A 472
PHE A 167
VAL A 469
THR A 475
 None
 1.18A 1q23F-2tohA:
undetectable		 1q23F-2tohA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 8 GLU A 376
HIS A 331
HIS A 336
GLU A 332
 FE  A 501 (-2.1A)
FE  A 501 ( 3.3A)
FE  A 501 ( 3.4A)
HBI  A 500 (-3.2A)
 0.99A 1v7zD-2tohA:
undetectable		 1v7zD-2tohA:
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 8 GLU A 376
HIS A 331
HIS A 336
GLU A 332
 FE  A 501 (-2.1A)
FE  A 501 ( 3.3A)
FE  A 501 ( 3.4A)
HBI  A 500 (-3.2A)
 0.99A 1v7zE-2tohA:
undetectable		 1v7zE-2tohA:
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 8 GLU A 376
HIS A 331
HIS A 336
GLU A 332
 FE  A 501 (-2.1A)
FE  A 501 ( 3.3A)
FE  A 501 ( 3.4A)
HBI  A 500 (-3.2A)
 0.97A 1v7zF-2tohA:
undetectable		 1v7zF-2tohA:
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.
2EIL_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 8 GLN A 347
PHE A 348
PHE A 345
LEU A 340
PHE A 309
 None
None
None
None
MTY  A 300 ( 3.9A)
 1.40A 2eilP-2tohA:
undetectable
2eilW-2tohA:
undetectable		 2eilP-2tohA:
21.19
2eilW-2tohA:
11.14
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.
2FXD_A_DR7A102_2
(POL PROTEIN)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 7 ARG A 451
ALA A 359
GLY A 353
ILE A 352
 None
 0.93A 2fxdB-2tohA:
undetectable		 2fxdB-2tohA:
14.02
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.
2Q64_B_1UNB1001_2
(PROTEASE RETROPEPSIN)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		3 / 3 ARG A 316
THR A 239
VAL A 236
 None
 0.78A 2q64A-2tohA:
undetectable		 2q64A-2tohA:
14.33
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.
2QEB_A_HSMA145_1
(D7R4 PROTEIN)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 7 ILE A 467
ARG A 169
PHE A 456
ASP A 471
 None
 1.07A 2qebA-2tohA:
undetectable		 2qebA-2tohA:
16.86
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.
2QEB_B_HSMB145_1
(D7R4 PROTEIN)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 7 ILE A 467
ARG A 169
PHE A 456
ASP A 471
 None
 1.06A 2qebB-2tohA:
undetectable		 2qebB-2tohA:
16.86
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 12 PHE A 348
ASP A 342
SER A 450
TYR A 448
ASN A 447
 None
 1.49A 2vdmA-2tohA:
undetectable
2vdmB-2tohA:
undetectable		 2vdmA-2tohA:
21.77
2vdmB-2tohA:
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.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 11 GLU A 332
HIS A 331
GLU A 376
LYS A 301
TYR A 371
 HBI  A 500 (-3.2A)
FE  A 501 ( 3.3A)
FE  A 501 (-2.1A)
MTY  A 300 ( 2.9A)
MTY  A 300 (-3.9A)
 1.23A 2x8zA-2tohA:
undetectable		 2x8zA-2tohA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_C_CHDC1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 5 PHE A 348
PHE A 345
LEU A 340
PHE A 309
 None
None
None
MTY  A 300 ( 3.9A)
 1.25A 2y69C-2tohA:
undetectable
2y69J-2tohA:
undetectable		 2y69C-2tohA:
21.19
2y69J-2tohA:
11.95
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.
2Y69_P_CHDP1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 5 PHE A 348
PHE A 345
LEU A 340
PHE A 309
 None
None
None
MTY  A 300 ( 3.9A)
 1.18A 2y69P-2tohA:
undetectable
2y69W-2tohA:
undetectable		 2y69P-2tohA:
21.19
2y69W-2tohA:
11.95
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.
2ZIF_A_SAMA298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 12 ALA A 418
PHE A 345
PHE A 413
GLY A 378
VAL A 410
 None
 1.16A 2zifA-2tohA:
undetectable		 2zifA-2tohA:
23.70
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 7 GLU A 376
HIS A 331
HIS A 336
GLU A 332
 FE  A 501 (-2.1A)
FE  A 501 ( 3.3A)
FE  A 501 ( 3.4A)
HBI  A 500 (-3.2A)
 0.93A 3a6jB-2tohA:
undetectable		 3a6jB-2tohA:
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 8 GLU A 376
HIS A 331
HIS A 336
GLU A 332
 FE  A 501 (-2.1A)
FE  A 501 ( 3.3A)
FE  A 501 ( 3.4A)
HBI  A 500 (-3.2A)
 0.94A 3a6jC-2tohA:
undetectable		 3a6jC-2tohA:
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 8 GLU A 376
HIS A 331
HIS A 336
GLU A 332
 FE  A 501 (-2.1A)
FE  A 501 ( 3.3A)
FE  A 501 ( 3.4A)
HBI  A 500 (-3.2A)
 0.97A 3a6jE-2tohA:
undetectable		 3a6jE-2tohA:
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.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 8 GLU A 376
HIS A 331
HIS A 336
GLU A 332
 FE  A 501 (-2.1A)
FE  A 501 ( 3.3A)
FE  A 501 ( 3.4A)
HBI  A 500 (-3.2A)
 0.93A 3a6jF-2tohA:
undetectable		 3a6jF-2tohA:
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.
3ABL_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 6 GLN A 347
PHE A 348
PHE A 345
PHE A 309
 None
None
None
MTY  A 300 ( 3.9A)
 1.09A 3ablP-2tohA:
undetectable
3ablW-2tohA:
undetectable		 3ablP-2tohA:
21.19
3ablW-2tohA:
11.14
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.
3ABM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 5 PHE A 348
PHE A 345
LEU A 340
PHE A 309
 None
None
None
MTY  A 300 ( 3.9A)
 1.27A 3abmC-2tohA:
undetectable
3abmJ-2tohA:
undetectable		 3abmC-2tohA:
21.19
3abmJ-2tohA:
11.14
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.
3ABM_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 5 PHE A 348
PHE A 345
LEU A 340
PHE A 309
 None
None
None
MTY  A 300 ( 3.9A)
 1.21A 3abmP-2tohA:
undetectable
3abmW-2tohA:
undetectable		 3abmP-2tohA:
21.19
3abmW-2tohA:
11.14
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.
3AG3_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 5 PHE A 348
PHE A 345
LEU A 340
PHE A 309
 None
None
None
MTY  A 300 ( 3.9A)
 1.25A 3ag3C-2tohA:
undetectable
3ag3J-2tohA:
undetectable		 3ag3C-2tohA:
21.19
3ag3J-2tohA:
11.14
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.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 12 ILE A 207
GLU A 229
SER A 324
PRO A 193
LEU A 188
 None
 1.37A 3eigA-2tohA:
undetectable		 3eigA-2tohA:
19.08
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.
3U88_A_CHDA611_0
(MENIN)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		3 / 3 SER A 349
PHE A 438
LYS A 442
 None
 0.96A 3u88A-2tohA:
undetectable		 3u88A-2tohA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFG_B_LEUB289_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		3 / 3 PHE A 377
SER A 395
SER A 396
 None
 0.96A 3ufgB-2tohA:
undetectable		 3ufgB-2tohA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A7B_B_HAEB1270_1
(COLLAGENASE 3)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 5 LEU A 294
HIS A 331
GLU A 332
HIS A 336
 HBI  A 500 (-4.7A)
FE  A 501 ( 3.3A)
HBI  A 500 (-3.2A)
FE  A 501 ( 3.4A)
 1.08A 4a7bB-2tohA:
undetectable		 4a7bB-2tohA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9N_A_CAMA1419_0
(CYTOCHROME P450)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 8 LEU A 357
LEU A 354
GLY A 353
VAL A 308
 None
 0.87A 4c9nA-2tohA:
undetectable		 4c9nA-2tohA:
21.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 6 HIS A 331
HIS A 336
TYR A 371
GLU A 376
 FE  A 501 ( 3.3A)
FE  A 501 ( 3.4A)
MTY  A 300 (-3.9A)
FE  A 501 (-2.1A)
 0.53A 4pahA-2tohA:
48.1		 4pahA-2tohA:
62.22
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.
4PGF_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 12 LEU A 400
GLY A 335
HIS A 252
MET A 339
PHE A 345
 None
 1.49A 4pgfA-2tohA:
undetectable		 4pgfA-2tohA:
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.
4RMJ_A_NCAA402_0
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 7 LEU A 340
LEU A 304
ILE A 352
ASP A 351
 None
MTY  A 300 ( 3.9A)
None
None
 0.86A 4rmjA-2tohA:
undetectable		 4rmjA-2tohA:
24.40
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.
4RYA_A_MTLA501_0
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 12 GLY A 353
ALA A 305
PHE A 167
VAL A 469
GLN A 350
 None
 1.26A 4ryaA-2tohA:
undetectable		 4ryaA-2tohA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RYA_A_MTLA501_1
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		3 / 3 GLU A 332
TYR A 371
GLU A 376
 HBI  A 500 (-3.2A)
MTY  A 300 (-3.9A)
FE  A 501 (-2.1A)
 0.82A 4ryaA-2tohA:
undetectable		 4ryaA-2tohA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 11 PHE A 438
GLY A 335
LEU A 394
ALA A 341
ASP A 342
 None
 1.28A 4wnuC-2tohA:
undetectable		 4wnuC-2tohA:
23.02
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.
5B1B_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 6 GLN A 347
PHE A 348
PHE A 345
LEU A 340
PHE A 309
 None
None
None
None
MTY  A 300 ( 3.9A)
 1.41A 5b1bC-2tohA:
undetectable
5b1bJ-2tohA:
undetectable		 5b1bC-2tohA:
21.19
5b1bJ-2tohA:
11.14
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.
5BPH_C_ACTC403_0
(D-ALANINE--D-ALANINE
LIGASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 4 TYR A 244
GLY A 398
SER A 396
LEU A 400
 None
 1.44A 5bphC-2tohA:
undetectable		 5bphC-2tohA:
23.64
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.
5G5H_A_ACTA1229_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 4 VAL A 199
GLU A 229
THR A 226
GLU A 228
 None
 1.43A 5g5hA-2tohA:
0.0		 5g5hA-2tohA:
22.19
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.
5KVA_A_SAMA301_0
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 12 GLU A 235
TYR A 237
ILE A 315
ALA A 318
ALA A 231
 None
 1.13A 5kvaA-2tohA:
undetectable		 5kvaA-2tohA:
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.
5KVA_B_SAMB301_0
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 12 GLU A 235
TYR A 237
ILE A 315
ALA A 318
ALA A 231
 None
 1.14A 5kvaB-2tohA:
undetectable		 5kvaB-2tohA:
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.
5M5C_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 12 ASP A 361
LEU A 295
SER A 368
GLY A 358
LEU A 357
 None
HBI  A 500 (-4.2A)
HBI  A 500 ( 4.1A)
None
None
 1.17A 5m5cB-2tohA:
undetectable		 5m5cB-2tohA:
21.46
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.
5M5C_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 10 ASP A 361
LEU A 295
SER A 368
GLY A 358
LEU A 357
 None
HBI  A 500 (-4.2A)
HBI  A 500 ( 4.1A)
None
None
 1.11A 5m5cE-2tohA:
undetectable		 5m5cE-2tohA:
21.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5PAH_A_LDPA600_1
(PHENYLALANINE
4-MONOOXYGENASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 4 HIS A 331
HIS A 336
TYR A 371
GLU A 376
 FE  A 501 ( 3.3A)
FE  A 501 ( 3.4A)
MTY  A 300 (-3.9A)
FE  A 501 (-2.1A)
 0.53A 5pahA-2tohA:
47.8		 5pahA-2tohA:
62.22
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.
5VLM_A_CVIA301_1
(REGULATORY PROTEIN
TETR)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 8 GLY A 335
TRP A 233
ARG A 316
ASP A 328
 None
 1.08A 5vlmA-2tohA:
undetectable		 5vlmA-2tohA:
21.20
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.
5VLM_B_CVIB301_1
(REGULATORY PROTEIN
TETR)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 8 GLY A 335
ARG A 316
TYR A 225
ASP A 328
 None
 0.97A 5vlmB-2tohA:
undetectable		 5vlmB-2tohA:
21.20
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.
5VLM_B_CVIB301_1
(REGULATORY PROTEIN
TETR)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 8 GLY A 335
TRP A 233
ARG A 316
ASP A 328
 None
 1.05A 5vlmB-2tohA:
undetectable		 5vlmB-2tohA:
21.20
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.
5WAU_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 5 PHE A 348
PHE A 345
LEU A 340
PHE A 309
 None
None
None
MTY  A 300 ( 3.9A)
 1.23A 5wauC-2tohA:
undetectable
5wauJ-2tohA:
undetectable		 5wauC-2tohA:
21.19
5wauJ-2tohA:
11.14
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.
5WAU_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 5 PHE A 348
PHE A 345
LEU A 340
PHE A 309
 None
None
None
MTY  A 300 ( 3.9A)
 1.20A 5wauc-2tohA:
undetectable
5wauj-2tohA:
undetectable		 5wauc-2tohA:
21.19
5wauj-2tohA:
11.14
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.
5XDQ_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 5 PHE A 348
PHE A 345
LEU A 340
PHE A 309
 None
None
None
MTY  A 300 ( 3.9A)
 1.16A 5xdqC-2tohA:
undetectable
5xdqJ-2tohA:
undetectable		 5xdqC-2tohA:
21.19
5xdqJ-2tohA:
11.14
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.
5XDQ_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 5 PHE A 348
PHE A 345
LEU A 340
PHE A 309
 None
None
None
MTY  A 300 ( 3.9A)
 1.19A 5xdqP-2tohA:
undetectable
5xdqW-2tohA:
undetectable		 5xdqP-2tohA:
21.19
5xdqW-2tohA:
11.14
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.
5Z85_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 6 GLN A 347
PHE A 348
PHE A 345
LEU A 340
PHE A 309
 None
None
None
None
MTY  A 300 ( 3.9A)
 1.48A 5z85P-2tohA:
undetectable
5z85W-2tohA:
undetectable		 5z85P-2tohA:
21.19
5z85W-2tohA:
11.14
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.
6AF6_A_GLYA507_0
(L-PROLYL-[PEPTIDYL-C
ARRIER PROTEIN]
DEHYDROGENASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		3 / 3 TYR A 428
HIS A 323
MET A 322
 None
 1.15A 6af6A-2tohA:
undetectable		 6af6A-2tohA:
21.99
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.
6B0I_B_TA1B502_1
(TUBULIN BETA CHAIN)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 12 ASP A 361
LEU A 295
SER A 368
GLY A 358
LEU A 357
 None
HBI  A 500 (-4.2A)
HBI  A 500 ( 4.1A)
None
None
 1.04A 6b0iB-2tohA:
undetectable		 6b0iB-2tohA:
11.59
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.
6DH0_A_017A101_2
(PROTEASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		3 / 3 LEU A 354
ASP A 471
ILE A 476
 None
 0.51A 6dh0B-2tohA:
undetectable		 6dh0B-2tohA:
12.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		4 / 6 GLN A 347
PHE A 348
LEU A 340
PHE A 309
 None
None
None
MTY  A 300 ( 3.9A)
 1.23A 6nmpC-2tohA:
undetectable
6nmpJ-2tohA:
undetectable		 6nmpC-2tohA:
21.19
6nmpJ-2tohA:
11.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6PAH_A_DAHA600_1
(PHENYLALANINE
4-MONOOXYGENASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 6 LEU A 294
PRO A 327
HIS A 331
HIS A 336
TYR A 371
 HBI  A 500 (-4.7A)
HBI  A 500 (-4.1A)
FE  A 501 ( 3.3A)
FE  A 501 ( 3.4A)
MTY  A 300 (-3.9A)
 0.74A 6pahA-2tohA:
47.8		 6pahA-2tohA:
62.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6PAH_A_DAHA600_1
(PHENYLALANINE
4-MONOOXYGENASE)		 2toh TYROSINE
3-MONOOXYGENASE
(Rattus
norvegicus) 		5 / 6 PRO A 327
HIS A 331
HIS A 336
TYR A 371
GLU A 376
 HBI  A 500 (-4.1A)
FE  A 501 ( 3.3A)
FE  A 501 ( 3.4A)
MTY  A 300 (-3.9A)
FE  A 501 (-2.1A)
 0.47A 6pahA-2tohA:
47.8		 6pahA-2tohA:
62.22