SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1akw'

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.
1BU5_A_RBFA301_1
(PROTEIN (FLAVODOXIN))		 1akw FLAVODOXIN
(Desulfovibrio
vulgaris) 		7 / 7 THR A  12
ASN A  14
THR A  59
TRP A  60
GLY A  94
ASP A  95
TYR A  98
 FMN  A 149 (-3.1A)
FMN  A 149 (-3.8A)
FMN  A 149 (-3.9A)
FMN  A 149 (-4.6A)
FMN  A 149 (-3.2A)
None
FMN  A 149 (-3.5A)
 0.31A 1bu5A-1akwA:
30.9		 1bu5A-1akwA:
99.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		 1akw FLAVODOXIN
(Desulfovibrio
vulgaris) 		4 / 8 THR A  12
ASN A  14
ASP A  62
GLY A  94
 FMN  A 149 (-3.1A)
FMN  A 149 (-3.8A)
None
FMN  A 149 (-3.2A)
 0.82A 1bu5B-1akwA:
30.8		 1bu5B-1akwA:
99.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		 1akw FLAVODOXIN
(Desulfovibrio
vulgaris) 		7 / 8 THR A  12
ASN A  14
THR A  59
TRP A  60
GLY A  94
ASP A  95
TYR A  98
 FMN  A 149 (-3.1A)
FMN  A 149 (-3.8A)
FMN  A 149 (-3.9A)
FMN  A 149 (-4.6A)
FMN  A 149 (-3.2A)
None
FMN  A 149 (-3.5A)
 0.29A 1bu5B-1akwA:
30.8		 1bu5B-1akwA:
99.32
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.
5DPD_A_SAMA601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		 1akw FLAVODOXIN
(Desulfovibrio
vulgaris) 		5 / 12 GLY A  82
LEU A  78
SER A  77
VAL A  53
VAL A  88
 None
 1.10A 5dpdA-1akwA:
undetectable		 5dpdA-1akwA:
14.65
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.
5HFJ_C_SAMC301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 1akw FLAVODOXIN
(Desulfovibrio
vulgaris) 		5 / 12 ASP A 136
ALA A 133
THR A  59
GLN A  68
THR A  11
 None
None
FMN  A 149 (-3.9A)
None
FMN  A 149 (-4.2A)
 1.24A 5hfjC-1akwA:
undetectable		 5hfjC-1akwA:
21.05