SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5in8'

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.
1PXX_C_DIFC2701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		5 / 12 VAL A 272
LEU A 275
SER A 276
LEU A 190
ALA A 286
 None
 0.90A 1pxxC-5in8A:
undetectable		 1pxxC-5in8A:
20.20
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.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		4 / 8 TYR A  61
PHE A  62
LEU A 177
MET A 182
 None
 1.15A 1x8vA-5in8A:
undetectable		 1x8vA-5in8A:
22.05
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.
2GJ5_A_VD3A164_1
(BETA-LACTOGLOBULIN)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		4 / 5 ASP A 214
LEU A 257
LYS A 254
MET A 260
 None
 1.46A 2gj5A-5in8A:
undetectable		 2gj5A-5in8A:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VUF_A_FUAA2002_1
(SERUM ALBUMIN)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		4 / 9 ILE A 201
ALA A 286
VAL A 289
GLU A 290
 None
 0.81A 2vufA-5in8A:
1.7		 2vufA-5in8A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		5 / 11 VAL A 272
LEU A 275
SER A 276
GLY A 284
ALA A 286
 None
 1.16A 3n8yA-5in8A:
undetectable		 3n8yA-5in8A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A9K_B_TYLB2198_1
(CREB-BINDING PROTEIN)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		4 / 5 VAL A  79
LEU A 125
ILE A 122
VAL A 144
 None
 0.92A 4a9kB-5in8A:
undetectable		 4a9kB-5in8A:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G5J_A_0WMA1103_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		4 / 5 ARG A 149
MET A 148
HIS A 151
LEU A  87
 GOL  A 401 (-3.1A)
None
None
None
 1.42A 4g5jA-5in8A:
undetectable		 4g5jA-5in8A:
24.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		4 / 8 ASP A  85
ASP A 172
GLU A  88
ASP A 214
 None
MG  A 402 ( 4.1A)
None
None
 1.07A 4gkhC-5in8A:
undetectable
4gkhK-5in8A:
undetectable		 4gkhC-5in8A:
20.66
4gkhK-5in8A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		4 / 8 ASP A  85
ASP A 172
GLU A  88
ASP A 214
 None
MG  A 402 ( 4.1A)
None
None
 1.12A 4gkiE-5in8A:
undetectable
4gkiG-5in8A:
undetectable		 4gkiE-5in8A:
20.66
4gkiG-5in8A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IFX_A_ACTA404_0
(THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		4 / 5 SER A 128
ARG A  75
LEU A 125
ASP A 124
 None
 1.05A 4ifxA-5in8A:
undetectable		 4ifxA-5in8A:
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.
4IG1_A_ACTA504_0
(FAD:PROTEIN FMN
TRANSFERASE)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		4 / 5 SER A 128
ARG A  75
LEU A 125
ASP A 124
 None
 1.08A 4ig1A-5in8A:
undetectable		 4ig1A-5in8A:
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.
4LNW_A_T3A501_2
(THYROID HORMONE
RECEPTOR ALPHA)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		3 / 3 ILE A 140
MET A 148
ARG A 149
 None
None
GOL  A 401 (-3.1A)
 0.93A 4lnwA-5in8A:
undetectable		 4lnwA-5in8A:
24.62
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.
4LNX_A_T3A502_2
(THYROID HORMONE
RECEPTOR ALPHA)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		3 / 3 ILE A 140
MET A 148
ARG A 149
 None
None
GOL  A 401 (-3.1A)
 0.94A 4lnxA-5in8A:
undetectable		 4lnxA-5in8A:
24.62
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.
4MGH_A_ACTA1320_0
(PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		4 / 5 VAL A 118
LEU A 102
ILE A  83
LEU A  86
 None
 0.69A 4mghA-5in8A:
undetectable		 4mghA-5in8A:
14.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		5 / 12 VAL A 272
LEU A 275
SER A 276
LEU A 190
ALA A 286
 None
 1.00A 4otyA-5in8A:
undetectable		 4otyA-5in8A:
20.10
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.
4OTY_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		5 / 12 VAL A 272
LEU A 275
SER A 276
LEU A 190
ALA A 286
 None
 0.97A 4otyB-5in8A:
undetectable		 4otyB-5in8A:
20.10
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		5 / 12 ASP A 202
PHE A  62
GLY A 291
ALA A 287
GLU A 281
 None
 1.17A 4retA-5in8A:
undetectable		 4retA-5in8A:
14.40
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.
4RRW_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		6 / 12 VAL A 272
LEU A 275
SER A 276
LEU A 190
GLY A 284
ALA A 286
 None
 1.35A 4rrwC-5in8A:
undetectable		 4rrwC-5in8A:
20.10
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.
4RRZ_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		6 / 12 VAL A 272
LEU A 275
SER A 276
LEU A 190
GLY A 284
ALA A 286
 None
 1.35A 4rrzC-5in8A:
undetectable		 4rrzC-5in8A:
20.10
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.
5DZ2_A_212A404_1
(GERMACRADIENOL/GEOSM
IN SYNTHASE)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		6 / 9 ARG A 169
ASN A 213
SER A 217
GLU A 221
ARG A 308
TYR A 309
 MG  A 403 ( 4.2A)
MG  A 403 ( 2.8A)
MG  A 403 ( 2.4A)
MG  A 403 ( 2.8A)
PO4  A 404 (-3.9A)
PO4  A 404 (-4.4A)
 0.74A 5dz2A-5in8A:
32.2		 5dz2A-5in8A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZ2_B_212B404_1
(GERMACRADIENOL/GEOSM
IN SYNTHASE)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		6 / 9 ARG A 169
ASN A 213
SER A 217
GLU A 221
ARG A 308
TYR A 309
 MG  A 403 ( 4.2A)
MG  A 403 ( 2.8A)
MG  A 403 ( 2.4A)
MG  A 403 ( 2.8A)
PO4  A 404 (-3.9A)
PO4  A 404 (-4.4A)
 0.80A 5dz2B-5in8A:
31.9		 5dz2B-5in8A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERM_A_210A401_1
(FUSICOCCADIENE
SYNTHASE)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		8 / 10 ARG A 169
VAL A 173
ASN A 213
SER A 217
LYS A 220
GLU A 221
ARG A 308
TYR A 309
 MG  A 403 ( 4.2A)
None
MG  A 403 ( 2.8A)
MG  A 403 ( 2.4A)
PO4  A 404 (-2.8A)
MG  A 403 ( 2.8A)
PO4  A 404 (-3.9A)
PO4  A 404 (-4.4A)
 0.61A 5ermA-5in8A:
26.3		 5ermA-5in8A:
27.50
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.
5ERM_B_210B704_1
(FUSICOCCADIENE
SYNTHASE)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		7 / 9 ARG A 169
ASN A 213
SER A 217
LYS A 220
GLU A 221
ARG A 308
TYR A 309
 MG  A 403 ( 4.2A)
MG  A 403 ( 2.8A)
MG  A 403 ( 2.4A)
PO4  A 404 (-2.8A)
MG  A 403 ( 2.8A)
PO4  A 404 (-3.9A)
PO4  A 404 (-4.4A)
 0.53A 5ermB-5in8A:
4.3		 5ermB-5in8A:
27.50
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.
5ERM_B_210B704_1
(FUSICOCCADIENE
SYNTHASE)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		7 / 9 ARG A 169
VAL A 173
ASN A 213
SER A 217
GLU A 221
ARG A 308
TYR A 309
 MG  A 403 ( 4.2A)
None
MG  A 403 ( 2.8A)
MG  A 403 ( 2.4A)
MG  A 403 ( 2.8A)
PO4  A 404 (-3.9A)
PO4  A 404 (-4.4A)
 0.60A 5ermB-5in8A:
4.3		 5ermB-5in8A:
27.50
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.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		4 / 8 VAL A 272
LEU A 275
LEU A 190
ALA A 286
 None
 0.72A 5f1aA-5in8A:
undetectable		 5f1aA-5in8A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		3 / 3 MET A 296
HIS A 268
GLY A 291
 None
 0.84A 5gwzB-5in8A:
0.2		 5gwzB-5in8A:
20.29
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		5 / 12 VAL A 272
LEU A 275
SER A 276
LEU A 190
ALA A 286
 None
 0.75A 5iktB-5in8A:
undetectable		 5iktB-5in8A:
19.86
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.
6AZ3_1_PAR11803_1
(RRNA ALPHA
RIBOSOMAL PROTEIN
EL18)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		3 / 3 SER A 206
LYS A 207
SER A 210
 None
 0.34A 6az3P-5in8A:
undetectable		 6az3P-5in8A:
11.55
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 5in8 ARISTOLOCHENE
SYNTHASE
(Aspergillus
terreus) 		4 / 6 LEU A 178
TYR A 168
ASP A 214
GLN A 240
 None
 1.45A 6djzC-5in8A:
0.6		 6djzC-5in8A:
21.45