SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'XUL'


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.
1MX1_E_THAE5_1
(LIVER
CARBOXYLESTERASE I)		 3ll3 GLUCONATE KINASE
(Lactobacillus
acidophilus) 		5 / 12 GLY A 261
VAL A 257
LEU A 255
LEU A 385
PHE A 279
 None
None
None
None
XUL  A7778 (-4.5A)
 1.31A 1mx1E-3ll3A:
undetectable		 1mx1E-3ll3A:
22.85
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.
2BXC_B_P1ZB2001_1
(SERUM ALBUMIN)		 3ll3 GLUCONATE KINASE
(Lactobacillus
acidophilus) 		5 / 9 LEU A 289
ARG A 264
HIS A  79
ARG A 342
ALA A 343
 None
XUL  A7778 ( 4.7A)
XUL  A7778 (-4.0A)
XUL  A7778 ( 3.1A)
None
 1.44A 2bxcB-3ll3A:
undetectable		 2bxcB-3ll3A:
22.74
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.
2CML_A_ZMRA1478_1
(NEURAMINIDASE)		 3ll3 GLUCONATE KINASE
(Lactobacillus
acidophilus) 		4 / 7 SER A 241
ASP A 237
SER A 427
GLN A 425
 None
XUL  A7778 (-2.9A)
None
None
 1.07A 2cmlA-3ll3A:
undetectable		 2cmlA-3ll3A:
20.64
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.
2CML_B_ZMRB2478_1
(NEURAMINIDASE)		 3ll3 GLUCONATE KINASE
(Lactobacillus
acidophilus) 		4 / 8 SER A 241
ASP A 237
SER A 427
GLN A 425
 None
XUL  A7778 (-2.9A)
None
None
 1.01A 2cmlB-3ll3A:
undetectable		 2cmlB-3ll3A:
20.64
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.
2CML_D_ZMRD4478_1
(NEURAMINIDASE)		 3ll3 GLUCONATE KINASE
(Lactobacillus
acidophilus) 		4 / 8 SER A 241
ASP A 237
SER A 427
GLN A 425
 None
XUL  A7778 (-2.9A)
None
None
 1.06A 2cmlD-3ll3A:
undetectable		 2cmlD-3ll3A:
20.64
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.
2D55_C_DVAC2_0
(ACTINOMYCIN D)		 3hz6 XYLULOKINASE
(Chromobacterium
violaceum) 		3 / 3 THR A 283
PRO A 355
PRO A 300
 None
None
XUL  A 515 (-4.2A)
 0.82A 2d55C-3hz6A:
undetectable		 2d55C-3hz6A:
2.49
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.
3CV9_A_VDXA501_1
(CYTOCHROME P450-SU1)		 3ll3 GLUCONATE KINASE
(Lactobacillus
acidophilus) 		5 / 9 THR A 177
LEU A 289
ARG A 264
SER A 241
GLY A 154
 None
None
XUL  A7778 ( 4.7A)
None
None
 1.16A 3cv9A-3ll3A:
undetectable		 3cv9A-3ll3A:
22.73
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.
3LSF_B_PZIB800_0
(GLUTAMATE RECEPTOR 2)		 3ll3 GLUCONATE KINASE
(Lactobacillus
acidophilus) 		5 / 10 TYR A  19
SER A  75
SER A 427
LEU A 430
GLY A 238
 None
None
None
None
XUL  A7778 ( 4.9A)
 1.40A 3lsfB-3ll3A:
0.0
3lsfE-3ll3A:
undetectable		 3lsfB-3ll3A:
19.00
3lsfE-3ll3A:
19.00
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		 3ll3 GLUCONATE KINASE
(Lactobacillus
acidophilus) 		5 / 12 ILE A 272
GLN A 117
LEU A 182
HIS A  79
ILE A 194
 None
None
None
XUL  A7778 (-4.0A)
None
 1.12A 3ozwB-3ll3A:
undetectable		 3ozwB-3ll3A:
21.95
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.
3QEL_D_QELD2_2
(GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
EPSILON-2)		 3hz6 XYLULOKINASE
(Chromobacterium
violaceum) 		5 / 9 PRO A 105
ALA A 132
GLN A  82
PHE A  84
PHE A 285
 None
None
XUL  A 515 (-3.9A)
None
XUL  A 515 (-3.3A)
 1.26A 3qelD-3hz6A:
undetectable		 3qelD-3hz6A:
21.33
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.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		 3ll3 GLUCONATE KINASE
(Lactobacillus
acidophilus) 		4 / 8 ALA A 235
SER A 427
THR A 429
GLY A 238
 None
None
None
XUL  A7778 ( 4.9A)
 1.01A 5v0vA-3ll3A:
undetectable		 5v0vA-3ll3A:
23.21