SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qre'

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.
1D4F_B_ADNB602_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3qre ENOYL-COA HYDRATASE,
ECHA12_1
(Mycobacterium
marinum) 		4 / 5 THR A  60
THR A  23
GLU A  13
THR A  15
 None
 1.28A 1d4fB-3qreA:
undetectable		 1d4fB-3qreA:
21.80
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.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		 3qre ENOYL-COA HYDRATASE,
ECHA12_1
(Mycobacterium
marinum) 		4 / 7 LEU A 108
THR A 106
HIS A 103
GLY A 229
 None
 0.79A 2ddwB-3qreA:
3.8		 2ddwB-3qreA:
23.69
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.
3HGX_A_SALA102_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 3qre ENOYL-COA HYDRATASE,
ECHA12_1
(Mycobacterium
marinum) 		4 / 7 VAL A  19
MET A 220
ILE A 211
ILE A 113
 None
 1.02A 3hgxA-3qreA:
undetectable		 3hgxA-3qreA:
21.65
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.
3KO0_S_TFPS201_1
(PROTEIN S100-A4)		 3qre ENOYL-COA HYDRATASE,
ECHA12_1
(Mycobacterium
marinum) 		4 / 7 PHE A 104
GLY A  34
MET A 130
CYH A 131
 None
 1.08A 3ko0K-3qreA:
undetectable
3ko0S-3qreA:
undetectable		 3ko0K-3qreA:
16.15
3ko0S-3qreA:
16.15
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 3qre ENOYL-COA HYDRATASE,
ECHA12_1
(Mycobacterium
marinum) 		5 / 12 LEU A 200
LEU A 205
GLY A  61
PHE A  66
ALA A 114
 None
 1.13A 3tbgD-3qreA:
undetectable		 3tbgD-3qreA:
23.27
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.
3TTR_A_LQZA90_1
(LACTOTRANSFERRIN)		 3qre ENOYL-COA HYDRATASE,
ECHA12_1
(Mycobacterium
marinum) 		3 / 3 PRO A 162
THR A 165
LEU A 173
 None
 0.75A 3ttrA-3qreA:
undetectable		 3ttrA-3qreA:
23.02
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.
4BWL_C_MN9C1297_0
(N-ACETYLNEURAMINATE
LYASE)		 3qre ENOYL-COA HYDRATASE,
ECHA12_1
(Mycobacterium
marinum) 		5 / 10 ILE A 157
LEU A 161
THR A 126
GLY A 124
PHE A 180
 None
 1.23A 4bwlC-3qreA:
undetectable		 4bwlC-3qreA:
23.51
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.
4P6X_A_HCYA900_1
(GLUCOCORTICOID
RECEPTOR)		 3qre ENOYL-COA HYDRATASE,
ECHA12_1
(Mycobacterium
marinum) 		5 / 12 LEU A 173
GLY A 177
THR A 126
ILE A 157
PHE A 146
 None
 1.22A 4p6xA-3qreA:
undetectable		 4p6xA-3qreA:
21.90
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.
4P6X_I_HCYI900_1
(GLUCOCORTICOID
RECEPTOR)		 3qre ENOYL-COA HYDRATASE,
ECHA12_1
(Mycobacterium
marinum) 		5 / 12 LEU A 173
GLY A 177
THR A 126
ILE A 157
PHE A 146
 None
 1.17A 4p6xI-3qreA:
undetectable		 4p6xI-3qreA:
21.90
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.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		 3qre ENOYL-COA HYDRATASE,
ECHA12_1
(Mycobacterium
marinum) 		3 / 3 LYS A 110
ILE A  57
ILE A  22
 None
 0.52A 4y0qA-3qreA:
undetectable		 4y0qA-3qreA:
20.88
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_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3qre ENOYL-COA HYDRATASE,
ECHA12_1
(Mycobacterium
marinum) 		3 / 3 ALA A 204
TYR A 207
PRO A 111
 None
 0.67A 4zdyA-3qreA:
undetectable		 4zdyA-3qreA:
21.99
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.
5BYK_A_OAQA302_0
(SULFOTRANSFERASE)		 3qre ENOYL-COA HYDRATASE,
ECHA12_1
(Mycobacterium
marinum) 		5 / 12 PRO A 101
ILE A 160
VAL A 105
LEU A 164
THR A 232
 None
 1.12A 5bykA-3qreA:
undetectable		 5bykA-3qreA:
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.
5FSA_A_X2NA590_1
(CYP51 VARIANT1)		 3qre ENOYL-COA HYDRATASE,
ECHA12_1
(Mycobacterium
marinum) 		5 / 12 ALA A  50
LEU A  59
ILE A 116
PHE A  24
GLY A 124
 None
 1.18A 5fsaA-3qreA:
undetectable		 5fsaA-3qreA:
19.38
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.
5G44_A_YTZA1512_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 3qre ENOYL-COA HYDRATASE,
ECHA12_1
(Mycobacterium
marinum) 		5 / 9 LEU A 190
LEU A 129
ALA A 136
ARG A 134
ALA A 128
 None
 1.41A 5g44A-3qreA:
undetectable		 5g44A-3qreA:
22.01