SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'VAK'


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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		 3ihg RDME
(Streptomyces
purpurascens) 		3 / 3 GLU A 365
GLY A 317
THR A 316
 None
VAK  A 537 (-3.0A)
VAK  A 537 (-4.2A)
 0.57A 3iazA-3ihgA:
undetectable		 3iazA-3ihgA:
21.20
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.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)		 3ihg RDME
(Streptomyces
purpurascens) 		4 / 8 MET A 102
SER A  96
ILE A  81
ARG A  82
 VAK  A 537 ( 4.2A)
None
None
None
 1.02A 3sfeB-3ihgA:
undetectable
3sfeC-3ihgA:
undetectable		 3sfeB-3ihgA:
17.62
3sfeC-3ihgA:
13.89
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.
4ZDY_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3ihg RDME
(Streptomyces
purpurascens) 		5 / 12 GLY A  14
PHE A  79
ILE A  81
GLY A 235
THR A 244
 FAD  A 536 (-3.3A)
VAK  A 537 (-4.7A)
None
None
None
 1.10A 4zdyA-3ihgA:
undetectable		 4zdyA-3ihgA:
22.17
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.
4ZE2_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3ihg RDME
(Streptomyces
purpurascens) 		5 / 12 GLY A  14
PHE A  79
ILE A  81
GLY A 235
THR A 244
 FAD  A 536 (-3.3A)
VAK  A 537 (-4.7A)
None
None
None
 1.12A 4ze2A-3ihgA:
undetectable		 4ze2A-3ihgA:
22.17
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.
5EQB_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3ihg RDME
(Streptomyces
purpurascens) 		5 / 12 GLY A  14
PHE A  79
ILE A  81
GLY A 221
GLY A 235
 FAD  A 536 (-3.3A)
VAK  A 537 (-4.7A)
None
None
None
 0.79A 5eqbA-3ihgA:
undetectable		 5eqbA-3ihgA:
22.17
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.
5EQB_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3ihg RDME
(Streptomyces
purpurascens) 		5 / 12 GLY A  16
PHE A  79
ILE A  81
GLY A 221
GLY A 235
 FAD  A 536 (-3.9A)
VAK  A 537 (-4.7A)
None
None
None
 0.93A 5eqbA-3ihgA:
undetectable		 5eqbA-3ihgA:
22.17
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.
5ESK_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3ihg RDME
(Streptomyces
purpurascens) 		5 / 12 GLY A  14
PHE A  79
ILE A  81
GLY A 235
THR A 244
 FAD  A 536 (-3.3A)
VAK  A 537 (-4.7A)
None
None
None
 1.13A 5eskA-3ihgA:
undetectable		 5eskA-3ihgA:
22.49
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.
5ESL_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3ihg RDME
(Streptomyces
purpurascens) 		5 / 12 GLY A  14
PHE A  79
ILE A  81
GLY A 235
THR A 244
 FAD  A 536 (-3.3A)
VAK  A 537 (-4.7A)
None
None
None
 1.09A 5eslA-3ihgA:
undetectable		 5eslA-3ihgA:
22.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KOX_A_RFPA502_1
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		 3ihg RDME
(Streptomyces
purpurascens) 		5 / 12 GLY A  48
GLY A 204
THR A 316
GLY A 317
GLY A 318
 VAK  A 537 ( 4.6A)
None
VAK  A 537 (-4.2A)
VAK  A 537 (-3.0A)
VAK  A 537 (-3.2A)
 0.88A 5koxA-3ihgA:
34.2		 5koxA-3ihgA:
33.51
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.
6A94_B_ZOTB3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		 3ihg RDME
(Streptomyces
purpurascens) 		5 / 12 VAL A 362
THR A 313
LEU A 392
GLY A 318
VAL A 386
 None
None
None
VAK  A 537 (-3.2A)
None
 1.14A 6a94B-3ihgA:
undetectable		 6a94B-3ihgA:
20.78