SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4xtb'

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.
2JFA_B_RALB600_2
(ESTROGEN RECEPTOR)		 4xtb CALCIUM UNIPORTER
PROTEIN,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 4 LEU A 101
THR A 100
ILE A 104
HIS A 170
 None
None
None
PG4  A1001 (-3.5A)
 1.22A 2jfaB-4xtbA:
undetectable		 2jfaB-4xtbA:
22.42
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.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)		 4xtb CALCIUM UNIPORTER
PROTEIN,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 LEU A 112
PHE A 149
ILE A 141
LEU A 145
THR A 157
 None
 1.10A 2w3bA-4xtbA:
undetectable		 2w3bA-4xtbA:
20.00
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.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)		 4xtb CALCIUM UNIPORTER
PROTEIN,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 LEU A 112
PHE A 149
ILE A 141
LEU A 145
THR A 157
 None
 1.10A 2w3bB-4xtbA:
undetectable		 2w3bB-4xtbA:
20.00
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.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		 4xtb CALCIUM UNIPORTER
PROTEIN,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 LEU A 112
PHE A 149
ILE A 141
LEU A 145
THR A 157
 None
 1.11A 2w3mA-4xtbA:
undetectable		 2w3mA-4xtbA:
20.00
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.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 4xtb CALCIUM UNIPORTER
PROTEIN,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 LEU A 112
PHE A 149
ILE A 141
LEU A 145
THR A 157
 None
 1.11A 4kebB-4xtbA:
undetectable		 4kebB-4xtbA:
19.59
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.
4L1X_A_STRA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 4xtb CALCIUM UNIPORTER
PROTEIN,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 LEU A 151
VAL A 125
LEU A 145
LEU A 144
 None
 1.00A 4l1xA-4xtbA:
undetectable		 4l1xA-4xtbA:
16.92