SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3rag'

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.
1DMA_B_NCAB700_0
(EXOTOXIN A)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 6 HIS A  32
GLY A  65
ALA A  28
GLU A  26
 None
 1.01A 1dmaB-3ragA:
undetectable		 1dmaB-3ragA:
22.22
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 8 SER A  59
ARG A  30
ALA A  63
GLU A  56
 None
 1.13A 1dmiA-3ragA:
undetectable
1dmiB-3ragA:
undetectable		 1dmiA-3ragA:
20.45
1dmiB-3ragA:
20.45
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.
1G5Y_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 ILE A 215
ALA A 219
LEU A 223
LEU A 134
ILE A  10
 None
 0.77A 1g5yB-3ragA:
undetectable		 1g5yB-3ragA:
21.43
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.
1YVP_B_ACTB2002_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 6 SER A 141
ALA A 142
SER A 143
ASN A  19
 NA  A 240 (-2.6A)
None
NA  A 240 (-2.5A)
None
 0.66A 1yvpB-3ragA:
4.1		 1yvpB-3ragA:
18.89
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.
1YVP_B_ACTB2002_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 6 SER A 141
ALA A 142
THR A 209
ASN A  19
 NA  A 240 (-2.6A)
None
NA  A 240 ( 4.6A)
None
 0.55A 1yvpB-3ragA:
4.1		 1yvpB-3ragA:
18.89
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.
2I91_A_ACTA601_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 7 SER A 141
ALA A 142
SER A 143
ASN A  19
 NA  A 240 (-2.6A)
None
NA  A 240 (-2.5A)
None
 0.67A 2i91A-3ragA:
3.2		 2i91A-3ragA:
18.89
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.
2I91_A_ACTA601_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 7 SER A 141
ALA A 142
THR A 209
ASN A  19
 NA  A 240 (-2.6A)
None
NA  A 240 ( 4.6A)
None
 0.64A 2i91A-3ragA:
3.2		 2i91A-3ragA:
18.89
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.
2I91_B_ACTB602_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 7 SER A 141
ALA A 142
SER A 143
ASN A  19
 NA  A 240 (-2.6A)
None
NA  A 240 (-2.5A)
None
 0.67A 2i91B-3ragA:
3.1		 2i91B-3ragA:
18.89
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.
2I91_B_ACTB602_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 7 SER A 141
ALA A 142
THR A 209
ASN A  19
 NA  A 240 (-2.6A)
None
NA  A 240 ( 4.6A)
None
 0.64A 2i91B-3ragA:
3.1		 2i91B-3ragA:
18.89
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.
3CE6_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 5 THR A  84
THR A   6
HIS A 133
LEU A 222
 None
 1.12A 3ce6A-3ragA:
3.3		 3ce6A-3ragA:
20.68
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.
3CE6_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 5 THR A  84
THR A   6
HIS A 133
LEU A 222
 None
 1.14A 3ce6C-3ragA:
4.2		 3ce6C-3ragA:
20.68
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.
3DTU_C_DXCC576_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 8 PRO A  24
ALA A  28
ALA A  31
ILE A  60
 None
 0.76A 3dtuC-3ragA:
0.5
3dtuD-3ragA:
undetectable		 3dtuC-3ragA:
18.67
3dtuD-3ragA:
21.84
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.
3HBB_B_TMQB612_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 9 VAL A  44
ALA A  49
SER A 141
ILE A  43
TYR A  54
 GOL  A 241 (-3.2A)
GOL  A 241 (-3.3A)
NA  A 240 (-2.6A)
None
None
 1.19A 3hbbB-3ragA:
undetectable		 3hbbB-3ragA:
19.96
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.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 VAL A  44
ALA A  49
SER A 141
ILE A  43
TYR A  54
 GOL  A 241 (-3.2A)
GOL  A 241 (-3.3A)
NA  A 240 (-2.6A)
None
None
 1.15A 3qfxA-3ragA:
undetectable		 3qfxA-3ragA:
26.32
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.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 VAL A  44
ALA A  49
SER A 141
ILE A  43
TYR A  54
 GOL  A 241 (-3.2A)
GOL  A 241 (-3.3A)
NA  A 240 (-2.6A)
None
None
 1.15A 3qfxB-3ragA:
undetectable		 3qfxB-3ragA:
26.32
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.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 ALA A 218
ILE A  60
GLU A  56
LEU A  11
VAL A  12
 None
 1.30A 4azsA-3ragA:
3.1		 4azsA-3ragA:
18.80
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.
5X24_A_LSNA503_1
(CYTOCHROME P450 2C9)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 6 PHE A 176
PRO A 177
GLY A 178
THR A 184
 None
 0.97A 5x24A-3ragA:
undetectable		 5x24A-3ragA:
20.21
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.
6F88_B_STRB502_1
(CYTOCHROME P450
CYP260A1)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 6 LEU A 222
ALA A 218
LEU A 132
THR A  84
 None
 0.84A 6f88B-3ragA:
undetectable		 6f88B-3ragA:
17.32
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.
6GB9_A_ACTA508_0
(MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1)		 3rag UNCHARACTERIZED
PROTEIN
(Alicyclobacillus
acidocaldarius) 		3 / 3 VAL A 171
ALA A 159
GLN A 188
 None
 0.66A 6gb9A-3ragA:
3.4		 6gb9A-3ragA:
22.53