SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'XYQ'


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.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		6 / 6 ALA A 263
SER A 266
PHE A 274
ASN A 345
ILE A 346
ASP A 347
 XYQ  A1222 (-3.4A)
None
NCA  A 900 ( 3.9A)
None
NCA  A 900 (-4.6A)
None
 0.63A 1yc2A-2hjhA:
19.5		 1yc2A-2hjhA:
25.41
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.
1YC2_D_NCAD510_0
(NAD-DEPENDENT
DEACETYLASE 2)		 2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		5 / 5 ALA A 263
PHE A 274
ASN A 345
ILE A 346
ASP A 347
 XYQ  A1222 (-3.4A)
NCA  A 900 ( 3.9A)
None
NCA  A 900 (-4.6A)
None
 0.56A 1yc2D-2hjhA:
19.3		 1yc2D-2hjhA:
25.41
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.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)		 2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		6 / 7 ALA A 263
SER A 266
ILE A 271
ASN A 345
ILE A 346
ASP A 347
 XYQ  A1222 (-3.4A)
None
NCA  A 900 (-4.6A)
None
NCA  A 900 (-4.6A)
None
 0.51A 1yc5A-2hjhA:
20.2		 1yc5A-2hjhA:
27.07
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.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)		 2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 7 SER A 266
ILE A 271
ASP A 273
ASP A 347
 None
NCA  A 900 (-4.6A)
XYQ  A1222 (-3.7A)
None
 0.79A 1yc5A-2hjhA:
20.2		 1yc5A-2hjhA:
27.07
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.
2H4J_A_NCAA1002_0
(NAD-DEPENDENT
DEACETYLASE)		 2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		5 / 5 ALA A 263
ILE A 271
ASN A 345
ILE A 346
ASP A 347
 XYQ  A1222 (-3.4A)
NCA  A 900 (-4.6A)
None
NCA  A 900 (-4.6A)
None
 0.53A 2h4jA-2hjhA:
20.2		 2h4jA-2hjhA:
27.07
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.
2OA1_B_ADNB2005_1
(TRYPTOPHAN
HALOGENASE)		 2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 7 GLY A 471
GLY A 264
VAL A 500
LEU A 494
 XYQ  A1222 (-3.6A)
XYQ  A1222 (-3.4A)
None
None
 0.77A 2oa1B-2hjhA:
2.5		 2oa1B-2hjhA:
21.72
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.
2ZW9_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		5 / 12 ILE A 516
SER A 323
GLY A 471
GLY A 264
LEU A 494
 None
None
XYQ  A1222 (-3.6A)
XYQ  A1222 (-3.4A)
None
 0.97A 2zw9A-2hjhA:
undetectable		 2zw9A-2hjhA:
19.51
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.
3LM8_B_VIBB223_1
(THIAMINE
PYROPHOSPHOKINASE)		 2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 7 LEU A 474
LEU A 260
CYH A 469
ASN A 496
 None
None
None
XYQ  A1222 (-3.3A)
 0.88A 3lm8B-2hjhA:
2.8
3lm8D-2hjhA:
undetectable		 3lm8B-2hjhA:
20.45
3lm8D-2hjhA:
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.
3LM8_C_VIBC223_1
(THIAMINE
PYROPHOSPHOKINASE)		 2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 8 LEU A 474
LEU A 260
CYH A 469
ASN A 496
 None
None
None
XYQ  A1222 (-3.3A)
 0.89A 3lm8A-2hjhA:
2.8
3lm8C-2hjhA:
2.3		 3lm8A-2hjhA:
20.45
3lm8C-2hjhA:
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.
3LM8_D_VIBD223_1
(THIAMINE
PYROPHOSPHOKINASE)		 2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 8 LEU A 474
LEU A 260
CYH A 469
ASN A 496
 None
None
None
XYQ  A1222 (-3.3A)
 0.77A 3lm8B-2hjhA:
2.8
3lm8D-2hjhA:
undetectable		 3lm8B-2hjhA:
20.45
3lm8D-2hjhA:
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.
4BBO_C_ACTC1113_0
(BLR5658 PROTEIN)		 2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 4 ASN A 345
ALA A 263
GLY A 262
THR A 472
 None
XYQ  A1222 (-3.4A)
XYQ  A1222 (-3.4A)
XYQ  A1222 (-3.7A)
 1.28A 4bboC-2hjhA:
undetectable		 4bboC-2hjhA:
14.41
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.
4JVL_A_ESTA702_1
(ESTROGEN
SULFOTRANSFERASE)		 2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 9 PHE A 445
LYS A 222
PHE A 274
ILE A 311
 XYQ  A1222 ( 4.5A)
XYQ  A1222 (-1.3A)
NCA  A 900 ( 3.9A)
None
 1.06A 4jvlA-2hjhA:
undetectable		 4jvlA-2hjhA:
24.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		 2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 5 PHE A 296
HIS A 364
LEU A 449
PRO A 478
 None
XYQ  A1222 (-3.8A)
None
None
 0.98A 4o8zA-2hjhA:
25.9		 4o8zA-2hjhA:
32.23
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.
6MN8_A_HFGA603_0
(UNCHARACTERIZED
PROTEIN)		 2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		5 / 12 LEU A 220
VAL A 218
PRO A 478
THR A 261
GLY A 262
 None
None
None
None
XYQ  A1222 (-3.4A)
 1.40A 6mn8A-2hjhA:
undetectable		 6mn8A-2hjhA:
22.69