SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'NIY'


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.
1HZE_A_RBFA98_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 1k4q GLUTATHIONE
REDUCTASE
(Homo
sapiens) 		5 / 9 LEU A  33
LEU A 118
ILE A 126
THR A 156
ILE A  26
 NIY  A 114 ( 4.1A)
NIY  A 114 ( 3.9A)
None
FAD  A 499 (-3.9A)
None
 1.38A 1hzeA-1k4qA:
0.0
1hzeB-1k4qA:
0.0		 1hzeA-1k4qA:
13.43
1hzeB-1k4qA:
13.43
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.
1HZE_B_RBFB99_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 1k4q GLUTATHIONE
REDUCTASE
(Homo
sapiens) 		5 / 9 THR A 156
ILE A  26
LEU A  33
LEU A 118
ILE A 126
 FAD  A 499 (-3.9A)
None
NIY  A 114 ( 4.1A)
NIY  A 114 ( 3.9A)
None
 1.38A 1hzeA-1k4qA:
0.0
1hzeB-1k4qA:
0.0		 1hzeA-1k4qA:
13.43
1hzeB-1k4qA:
13.43
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.
1QKN_A_RALA600_1
(ESTROGEN RECEPTOR
BETA)		 1k4q GLUTATHIONE
REDUCTASE
(Homo
sapiens) 		6 / 12 ALA A 155
LEU A 153
LEU A  24
ILE A 125
ILE A 123
LEU A  33
 FAD  A 499 (-4.5A)
None
None
None
None
NIY  A 114 ( 4.1A)
 1.25A 1qknA-1k4qA:
undetectable		 1qknA-1k4qA:
18.62
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.
1R30_A_SAMA501_0
(BIOTIN SYNTHASE)		 2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 12 GLY A 674
ASN A 698
ILE A 635
LEU A 619
LEU A 729
 None
None
None
None
NIY  A 730 ( 4.0A)
 1.07A 1r30A-2xaxA:
2.8		 1r30A-2xaxA:
19.20
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.
1R30_B_SAMB501_0
(BIOTIN SYNTHASE)		 2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 12 GLY A 674
ASN A 698
ILE A 635
LEU A 619
LEU A 729
 None
None
None
None
NIY  A 730 ( 4.0A)
 1.07A 1r30B-2xaxA:
2.7		 1r30B-2xaxA:
19.20
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.
2NYU_B_SAMB201_0
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		 1k4q GLUTATHIONE
REDUCTASE
(Homo
sapiens) 		5 / 12 GLY A  28
ALA A 155
GLY A 157
LEU A 153
LEU A 118
 FAD  A 499 ( 4.7A)
FAD  A 499 (-4.5A)
FAD  A 499 (-3.4A)
None
NIY  A 114 ( 3.9A)
 1.04A 2nyuB-1k4qA:
3.2		 2nyuB-1k4qA:
19.13
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.
5CZY_A_SAMA603_0
(LEGIONELLA EFFECTOR
LEGAS4)		 1k4q GLUTATHIONE
REDUCTASE
(Homo
sapiens) 		5 / 12 LEU A  33
GLY A  32
SER A  51
TYR A 114
LEU A 118
 NIY  A 114 ( 4.1A)
None
FAD  A 499 (-3.1A)
NIY  A 114 ( 1.2A)
NIY  A 114 ( 3.9A)
 0.96A 5czyA-1k4qA:
0.0		 5czyA-1k4qA:
20.70