SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2rau'

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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		5 / 12 TYR A 332
PHE A 271
GLY A  57
SER A 151
GLY A 178
 UNL  A 359 (-4.4A)
UNL  A 359 (-4.8A)
UNL  A 359 ( 4.1A)
PEG  A 360 (-3.2A)
None
 1.12A 1fe2A-2rauA:
undetectable		 1fe2A-2rauA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YQZ_B_SAMB401_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		5 / 12 GLY A 149
GLY A 153
LEU A 175
LEU A  53
VAL A  52
 None
 0.75A 2yqzB-2rauA:
undetectable		 2yqzB-2rauA:
22.10
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.
2ZWF_B_DAHB98_1
(TYROSINASE
MELC)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		5 / 11 HIS A  40
ILE A  24
HIS A 103
ASN A  71
VAL A  73
 None
 1.18A 2zwfA-2rauA:
undetectable
2zwfB-2rauA:
undetectable		 2zwfA-2rauA:
20.53
2zwfB-2rauA:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_F_SVRF502_2
(PHOSPHOLIPASE A2)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 5 ILE A 237
SER A 229
PRO A 230
PRO A 232
 None
None
PG4  A 358 (-4.3A)
None
 1.13A 3bjwC-2rauA:
undetectable		 3bjwC-2rauA:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWM_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		5 / 12 VAL A  52
GLY A 149
TYR A 146
ILE A 155
SER A 151
 None
None
None
None
PEG  A 360 (-3.2A)
 1.35A 3bwmA-2rauA:
2.6		 3bwmA-2rauA:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWY_A_SAMA301_0
(COMT PROTEIN)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		5 / 12 VAL A  52
GLY A 149
TYR A 146
ILE A 155
SER A 151
 None
None
None
None
PEG  A 360 (-3.2A)
 1.35A 3bwyA-2rauA:
2.4		 3bwyA-2rauA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KK6_A_CELA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		5 / 12 VAL A 345
LEU A 349
SER A 318
GLY A 149
ALA A 148
 None
 1.12A 3kk6A-2rauA:
undetectable		 3kk6A-2rauA:
21.08
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.
3N5T_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 7 SER A 195
VAL A 193
ARG A 112
GLU A 198
 None
 1.36A 3n5tA-2rauA:
undetectable
3n5tB-2rauA:
undetectable		 3n5tA-2rauA:
21.31
3n5tB-2rauA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_B_BEZB1_0
(HEME-BINDING PROTEIN
HUTZ)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 6 ARG A 210
PHE A 240
PRO A 230
LEU A 241
 PG4  A 358 (-3.7A)
PG4  A 358 (-4.5A)
PG4  A 358 (-4.3A)
None
 1.39A 3tgvB-2rauA:
undetectable		 3tgvB-2rauA:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_C_BEZC1_0
(HEME-BINDING PROTEIN
HUTZ)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 5 ARG A 210
PHE A 240
PRO A 230
LEU A 241
 PG4  A 358 (-3.7A)
PG4  A 358 (-4.5A)
PG4  A 358 (-4.3A)
None
 1.42A 3tgvC-2rauA:
undetectable		 3tgvC-2rauA:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_D_BEZD1_0
(HEME-BINDING PROTEIN
HUTZ)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 6 ARG A 210
PHE A 240
PRO A 230
LEU A 241
 PG4  A 358 (-3.7A)
PG4  A 358 (-4.5A)
PG4  A 358 (-4.3A)
None
 1.37A 3tgvD-2rauA:
undetectable		 3tgvD-2rauA:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MGH_A_ACTA1320_0
(PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 5 VAL A  52
LEU A 349
ILE A 173
LEU A 147
 None
 0.88A 4mghA-2rauA:
undetectable		 4mghA-2rauA:
13.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P7N_A_GCSA703_1
(POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 4 LEU A 285
PHE A 287
LEU A 279
GLU A 282
 PEG  A 362 ( 4.7A)
PEG  A 362 (-4.2A)
None
None
 1.36A 4p7nA-2rauA:
0.8		 4p7nA-2rauA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PWD_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 8 PRO A 179
LEU A 314
TYR A 289
LEU A 172
 None
 0.89A 4pwdA-2rauA:
undetectable		 4pwdA-2rauA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZT_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		5 / 12 PHE A 265
ALA A 221
TYR A 234
SER A 229
LEU A 245
 None
 1.43A 4qztC-2rauA:
undetectable		 4qztC-2rauA:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZT_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		5 / 12 PHE A 265
ILE A 217
TYR A 234
SER A 229
LEU A 245
 None
CA  A 354 ( 3.9A)
None
None
None
 1.49A 4qztC-2rauA:
undetectable		 4qztC-2rauA:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 8 GLY A  57
ILE A 173
GLY A 154
PHE A 152
 UNL  A 359 ( 4.1A)
None
None
None
 0.83A 5alcL-2rauA:
undetectable		 5alcL-2rauA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FSA_B_X2NB590_1
(CYP51 VARIANT1)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		5 / 12 GLY A 154
LEU A 329
ILE A 217
GLY A 211
PHE A 304
 None
None
CA  A 354 ( 3.9A)
None
None
 1.20A 5fsaB-2rauA:
undetectable		 5fsaB-2rauA:
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.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		5 / 12 VAL A 345
LEU A 349
VAL A  52
ALA A 148
LEU A 175
 None
 1.02A 5ikrA-2rauA:
undetectable		 5ikrA-2rauA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L1F_A_6ZPA902_1
(GLUTAMATE RECEPTOR 2)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 8 SER A 151
TYR A 100
PHE A 271
SER A 209
 PEG  A 360 (-3.2A)
None
UNL  A 359 (-4.8A)
None
 1.10A 5l1fA-2rauA:
2.7
5l1fB-2rauA:
undetectable		 5l1fA-2rauA:
19.05
5l1fB-2rauA:
19.05
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.
5VV7_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 7 GLU A 198
SER A 195
VAL A 193
ARG A 112
 None
 1.31A 5vv7A-2rauA:
0.0
5vv7B-2rauA:
undetectable		 5vv7A-2rauA:
21.35
5vv7B-2rauA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0J_B_DAHB98_0
(MELC
TYROSINASE)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		5 / 11 HIS A  40
ILE A  24
HIS A 103
ASN A  71
VAL A  73
 None
 1.14A 5z0jA-2rauA:
undetectable
5z0jB-2rauA:
undetectable		 5z0jA-2rauA:
14.56
5z0jB-2rauA:
11.05
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.
5Z0M_B_DAHB98_0
(MELC
TYROSINASE)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		5 / 11 HIS A  40
ILE A  24
HIS A 103
ASN A  71
VAL A  73
 None
 1.14A 5z0mA-2rauA:
undetectable
5z0mB-2rauA:
0.0		 5z0mA-2rauA:
14.56
5z0mB-2rauA:
11.05
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.
6AV6_B_H4BB501_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 7 SER A 195
VAL A 193
ARG A 112
GLU A 198
 None
 1.32A 6av6A-2rauA:
undetectable
6av6B-2rauA:
undetectable		 6av6A-2rauA:
12.28
6av6B-2rauA:
12.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV6_D_H4BD502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 7 GLU A 198
SER A 195
VAL A 193
ARG A 112
 None
 1.27A 6av6C-2rauA:
0.0
6av6D-2rauA:
undetectable		 6av6C-2rauA:
12.28
6av6D-2rauA:
12.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		5 / 12 GLY A 178
ASP A 310
LEU A 174
ALA A 298
LEU A 172
 None
 1.02A 6bq4A-2rauA:
2.0		 6bq4A-2rauA:
13.20
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.
6MN5_E_LLLE301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 7 ARG A  81
TYR A  80
GLU A 338
GLU A 335
 None
 1.28A 6mn5E-2rauA:
undetectable		 6mn5E-2rauA:
14.96