SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'TES'


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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_A_VD3A2001_1
(VITAMIN D
HYDROXYLASE)		 5l94 CYTOCHROME P450
(Bacillus
megaterium) 		6 / 12 ILE A  85
LYS A 187
LEU A 238
ILE A 241
ALA A 242
THR A 246
 HEM  A 501 (-4.4A)
None
HEM  A 501 (-4.4A)
TES  A 502 (-4.0A)
HEM  A 501 (-3.5A)
HEM  A 501 (-3.4A)
 0.47A 3a50A-5l94A:
49.2		 3a50A-5l94A:
34.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_B_VD3B2001_1
(VITAMIN D
HYDROXYLASE)		 5l94 CYTOCHROME P450
(Bacillus
megaterium) 		5 / 11 ILE A  85
LYS A 187
LEU A 238
ILE A 241
THR A 246
 HEM  A 501 (-4.4A)
None
HEM  A 501 (-4.4A)
TES  A 502 (-4.0A)
HEM  A 501 (-3.4A)
 0.45A 3a50B-5l94A:
49.7		 3a50B-5l94A:
34.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_C_VD3C2001_1
(VITAMIN D
HYDROXYLASE)		 5l94 CYTOCHROME P450
(Bacillus
megaterium) 		5 / 11 ILE A  85
LYS A 187
LEU A 238
ILE A 241
THR A 246
 HEM  A 501 (-4.4A)
None
HEM  A 501 (-4.4A)
TES  A 502 (-4.0A)
HEM  A 501 (-3.4A)
 0.36A 3a50C-5l94A:
49.8		 3a50C-5l94A:
34.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_D_VD3D2001_1
(VITAMIN D
HYDROXYLASE)		 5l94 CYTOCHROME P450
(Bacillus
megaterium) 		5 / 12 ILE A  85
LYS A 187
ILE A 241
ALA A 242
THR A 246
 HEM  A 501 (-4.4A)
None
TES  A 502 (-4.0A)
HEM  A 501 (-3.5A)
HEM  A 501 (-3.4A)
 0.44A 3a50D-5l94A:
49.6		 3a50D-5l94A:
34.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_E_VD3E2001_1
(VITAMIN D
HYDROXYLASE)		 5l94 CYTOCHROME P450
(Bacillus
megaterium) 		5 / 12 ILE A  85
LYS A 187
LEU A 238
ILE A 241
THR A 246
 HEM  A 501 (-4.4A)
None
HEM  A 501 (-4.4A)
TES  A 502 (-4.0A)
HEM  A 501 (-3.4A)
 0.37A 3a50E-5l94A:
49.7		 3a50E-5l94A:
34.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A51_A_VDYA6178_1
(VITAMIN D
HYDROXYLASE)		 5l94 CYTOCHROME P450
(Bacillus
megaterium) 		6 / 11 ILE A  85
LYS A 187
LEU A 238
ILE A 241
THR A 246
VAL A 289
 HEM  A 501 (-4.4A)
None
HEM  A 501 (-4.4A)
TES  A 502 (-4.0A)
HEM  A 501 (-3.4A)
TES  A 502 (-4.8A)
 0.43A 3a51A-5l94A:
49.3		 3a51A-5l94A:
34.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A51_C_VDYC6178_1
(VITAMIN D
HYDROXYLASE)		 5l94 CYTOCHROME P450
(Bacillus
megaterium) 		5 / 12 ILE A  85
LYS A 187
ILE A 241
THR A 246
VAL A 289
 HEM  A 501 (-4.4A)
None
TES  A 502 (-4.0A)
HEM  A 501 (-3.4A)
TES  A 502 (-4.8A)
 0.36A 3a51C-5l94A:
49.9		 3a51C-5l94A:
34.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A51_D_VDYD6178_1
(VITAMIN D
HYDROXYLASE)		 5l94 CYTOCHROME P450
(Bacillus
megaterium) 		6 / 12 ILE A  85
LYS A 187
LEU A 238
ILE A 241
THR A 246
VAL A 289
 HEM  A 501 (-4.4A)
None
HEM  A 501 (-4.4A)
TES  A 502 (-4.0A)
HEM  A 501 (-3.4A)
TES  A 502 (-4.8A)
 0.45A 3a51D-5l94A:
49.7		 3a51D-5l94A:
34.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A51_E_VDYE6178_1
(VITAMIN D
HYDROXYLASE)		 5l94 CYTOCHROME P450
(Bacillus
megaterium) 		6 / 12 ILE A  85
LYS A 187
ILE A 241
ALA A 242
THR A 246
VAL A 289
 HEM  A 501 (-4.4A)
None
TES  A 502 (-4.0A)
HEM  A 501 (-3.5A)
HEM  A 501 (-3.4A)
TES  A 502 (-4.8A)
 0.46A 3a51E-5l94A:
49.7		 3a51E-5l94A:
34.11
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		 5l94 CYTOCHROME P450
(Bacillus
megaterium) 		5 / 12 THR A  78
VAL A 169
ALA A 190
THR A 246
VAL A 289
 None
TES  A 502 ( 4.4A)
None
HEM  A 501 (-3.4A)
TES  A 502 (-4.8A)
 1.12A 3czhA-5l94A:
33.6		 3czhA-5l94A:
24.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		 5l94 CYTOCHROME P450
(Bacillus
megaterium) 		5 / 10 LEU A 238
ILE A 241
ALA A 242
THR A 246
VAL A 289
 HEM  A 501 (-4.4A)
TES  A 502 (-4.0A)
HEM  A 501 (-3.5A)
HEM  A 501 (-3.4A)
TES  A 502 (-4.8A)
 0.37A 3r9cA-5l94A:
47.4		 3r9cA-5l94A:
35.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VRM_A_VD3A502_1
(VITAMIN D(3)
25-HYDROXYLASE)		 5l94 CYTOCHROME P450
(Bacillus
megaterium) 		5 / 12 ILE A  85
LYS A 187
LEU A 238
ILE A 241
ALA A 242
 HEM  A 501 (-4.4A)
None
HEM  A 501 (-4.4A)
TES  A 502 (-4.0A)
HEM  A 501 (-3.5A)
 0.66A 3vrmA-5l94A:
49.5		 3vrmA-5l94A:
34.72