SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DAU'


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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)
4ecm GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Bacillus
anthracis)
5 / 12 ALA A 129
TYR A 174
GLY A 170
LEU A 203
LEU A 208
None
None
DAU  A 301 ( 4.4A)
None
None
1.17A 1jipA-4ecmA:
undetectable
1jipA-4ecmA:
21.50
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.
1MXD_A_ACRA733_1
(ALPHA AMYLASE)
4ecm GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Bacillus
anthracis)
4 / 6 THR A 218
ASN A 109
LEU A 106
ASP A 108
None
DAU  A 301 (-3.3A)
DAU  A 301 (-3.8A)
DAU  A 301 (-3.5A)
1.28A 1mxdA-4ecmA:
undetectable
1mxdA-4ecmA:
21.56
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.
2HZQ_A_STRA300_1
(APOLIPOPROTEIN D)
6b5e GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Mycobacterium
tuberculosis)
4 / 7 THR A 223
TYR A 173
PHE A 111
LEU A  86
None
None
None
DAU  A 301 (-4.8A)
1.12A 2hzqA-6b5eA:
undetectable
2hzqA-6b5eA:
14.12
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.
3EEY_A_SAMA300_0
(PUTATIVE RRNA
METHYLASE)
6b5e GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Mycobacterium
tuberculosis)
5 / 12 ASP A 108
ILE A  49
ASN A 109
LEU A 104
THR A  40
MG  A 302 ( 2.5A)
None
DAU  A 301 (-3.2A)
None
None
0.95A 3eeyA-6b5eA:
undetectable
3eeyA-6b5eA:
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.
3EEY_B_SAMB300_0
(PUTATIVE RRNA
METHYLASE)
6b5e GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Mycobacterium
tuberculosis)
5 / 12 ASP A 108
ILE A  49
ASN A 109
LEU A 104
THR A  40
MG  A 302 ( 2.5A)
None
DAU  A 301 (-3.2A)
None
None
0.96A 3eeyB-6b5eA:
undetectable
3eeyB-6b5eA:
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.
3EEY_C_SAMC300_0
(PUTATIVE RRNA
METHYLASE)
6b5e GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Mycobacterium
tuberculosis)
5 / 12 ASP A 108
ILE A  49
ASN A 109
LEU A 104
THR A  40
MG  A 302 ( 2.5A)
None
DAU  A 301 (-3.2A)
None
None
0.98A 3eeyC-6b5eA:
undetectable
3eeyC-6b5eA:
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.
3EEY_D_SAMD300_0
(PUTATIVE RRNA
METHYLASE)
6b5e GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Mycobacterium
tuberculosis)
5 / 12 ASP A 108
ILE A  49
ASN A 109
LEU A 104
THR A  40
MG  A 302 ( 2.5A)
None
DAU  A 301 (-3.2A)
None
None
1.03A 3eeyD-6b5eA:
undetectable
3eeyD-6b5eA:
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.
3EEY_E_SAME300_0
(PUTATIVE RRNA
METHYLASE)
6b5e GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Mycobacterium
tuberculosis)
5 / 12 ASP A 108
ILE A  49
ASN A 109
LEU A 104
THR A  40
MG  A 302 ( 2.5A)
None
DAU  A 301 (-3.2A)
None
None
0.93A 3eeyE-6b5eA:
undetectable
3eeyE-6b5eA:
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.
3EEY_F_SAMF300_0
(PUTATIVE RRNA
METHYLASE)
6b5e GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Mycobacterium
tuberculosis)
5 / 12 ASP A 108
ILE A  49
ASN A 109
LEU A 104
THR A  40
MG  A 302 ( 2.5A)
None
DAU  A 301 (-3.2A)
None
None
0.92A 3eeyF-6b5eA:
undetectable
3eeyF-6b5eA:
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.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)
6b5e GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Mycobacterium
tuberculosis)
5 / 12 ASP A 108
ILE A  49
ASN A 109
LEU A 104
THR A  40
MG  A 302 ( 2.5A)
None
DAU  A 301 (-3.2A)
None
None
1.00A 3eeyJ-6b5eA:
undetectable
3eeyJ-6b5eA:
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.
3WDM_B_ADNB301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)
6b5e GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Mycobacterium
tuberculosis)
5 / 10 GLY A 171
LEU A  41
ASP A 108
LEU A 106
ILE A   5
DAU  A 301 ( 4.3A)
None
MG  A 302 ( 2.5A)
DAU  A 301 (-3.9A)
None
1.16A 3wdmB-6b5eA:
undetectable
3wdmB-6b5eA:
11.49
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.
3WDM_D_ADND301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)
6b5e GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Mycobacterium
tuberculosis)
5 / 10 GLY A 171
LEU A  41
ASP A 108
LEU A 106
ILE A   5
DAU  A 301 ( 4.3A)
None
MG  A 302 ( 2.5A)
DAU  A 301 (-3.9A)
None
1.12A 3wdmD-6b5eA:
undetectable
3wdmD-6b5eA:
11.49
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.
4QB9_E_PARE500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)
6b5e GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Mycobacterium
tuberculosis)
5 / 12 SER A 165
SER A 155
GLU A 195
TYR A 142
GLY A 143
None
None
None
None
DAU  A 301 (-3.4A)
1.29A 4qb9E-6b5eA:
undetectable
4qb9E-6b5eA:
12.62
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.
6BQG_A_ERMA1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)
4ecm GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Bacillus
anthracis)
5 / 12 VAL A  79
GLY A 107
ALA A  37
GLU A  56
VAL A  62
None
DAU  A 301 ( 4.0A)
None
None
None
1.18A 6bqgA-4ecmA:
undetectable
6bqgA-4ecmA:
17.72
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.
6NM4_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)
4ecm GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Bacillus
anthracis)
4 / 7 ALA A   7
GLY A   8
GLY A 221
ASN A  22
None
DAU  A 301 ( 3.3A)
None
None
0.69A 6nm4A-4ecmA:
undetectable
6nm4A-4ecmA:
20.83