SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '45D'


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.
1TW4_B_CHDB1130_0
(FATTY ACID-BINDING
PROTEIN)		 5hgr ORANGE CAROTENOID
PROTEIN (OCP)
(Nostoc
sp.
PCC
7120) 		5 / 12 TYR A 203
LEU A 207
LEU A 250
ILE A 305
ILE A 216
 45D  A 501 (-4.6A)
45D  A 501 (-4.5A)
45D  A 501 ( 3.5A)
45D  A 501 (-2.8A)
None
 1.00A 1tw4B-5hgrA:
2.1		 1tw4B-5hgrA:
19.56
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.
2EIM_W_CHDW1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5hgr ORANGE CAROTENOID
PROTEIN (OCP)
(Nostoc
sp.
PCC
7120) 		4 / 7 LYS A  69
LEU A  68
PHE A 109
LEU A 113
 None
None
None
45D  A 501 ( 4.8A)
 1.03A 2eimP-5hgrA:
undetectable
2eimW-5hgrA:
undetectable		 2eimP-5hgrA:
20.25
2eimW-5hgrA:
12.00
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.
3HJO_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE P)		 4xb4 ORANGE
CAROTENOID-BINDING
PROTEIN
(Synechocystis
sp.
PCC
6803) 		4 / 8 TYR A  98
GLN A  72
ILE A  40
GLY A 108
 None
None
45D  A 201 (-3.5A)
45D  A 201 ( 4.4A)
 0.86A 3hjoA-4xb4A:
undetectable		 3hjoA-4xb4A:
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.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 5hgr ORANGE CAROTENOID
PROTEIN (OCP)
(Nostoc
sp.
PCC
7120) 		5 / 12 TRP A  41
ALA A  38
LEU A 131
LEU A  31
LEU A  24
 45D  A 501 (-4.7A)
None
None
None
None
 0.89A 3ix9A-5hgrA:
undetectable		 3ix9A-5hgrA:
20.42
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.
3KM6_A_EAAA222_1
(GLUTATHIONE
S-TRANSFERASE P)		 4xb4 ORANGE
CAROTENOID-BINDING
PROTEIN
(Synechocystis
sp.
PCC
6803) 		5 / 10 TYR A  98
PHE A 109
GLN A  72
ILE A  40
GLY A 108
 None
None
None
45D  A 201 (-3.5A)
45D  A 201 ( 4.4A)
 1.14A 3km6A-4xb4A:
undetectable		 3km6A-4xb4A:
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.
4V2Z_C_Y70C151_1
(CEREBLON ISOFORM 4)		 5hgr ORANGE CAROTENOID
PROTEIN (OCP)
(Nostoc
sp.
PCC
7120) 		4 / 8 PRO A 228
PHE A 242
TRP A 290
TYR A 203
 45D  A 501 ( 4.5A)
45D  A 501 ( 4.0A)
45D  A 501 (-3.4A)
45D  A 501 (-4.6A)
 1.32A 4v2zC-5hgrA:
undetectable		 4v2zC-5hgrA:
19.40
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.
5VLM_C_CVIC301_0
(REGULATORY PROTEIN
TETR)		 5hgr ORANGE CAROTENOID
PROTEIN (OCP)
(Nostoc
sp.
PCC
7120) 		5 / 12 MET A 117
ALA A 123
GLU A  73
TRP A 110
VAL A  82
 45D  A 501 ( 2.8A)
None
None
45D  A 501 (-2.8A)
None
 1.41A 5vlmC-5hgrA:
1.0		 5vlmC-5hgrA:
22.05
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.
5VLM_E_CVIE301_0
(REGULATORY PROTEIN
TETR)		 5hgr ORANGE CAROTENOID
PROTEIN (OCP)
(Nostoc
sp.
PCC
7120) 		5 / 12 MET A 117
ALA A 123
GLU A  73
TRP A 110
VAL A  82
 45D  A 501 ( 2.8A)
None
None
45D  A 501 (-2.8A)
None
 1.37A 5vlmE-5hgrA:
2.3		 5vlmE-5hgrA:
22.05
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 5hgr ORANGE CAROTENOID
PROTEIN (OCP)
(Nostoc
sp.
PCC
7120) 		4 / 6 LYS A  69
LEU A  68
PHE A 109
LEU A 113
 None
None
None
45D  A 501 ( 4.8A)
 1.07A 5x19P-5hgrA:
undetectable		 5x19P-5hgrA:
20.25
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.
5X1F_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5hgr ORANGE CAROTENOID
PROTEIN (OCP)
(Nostoc
sp.
PCC
7120) 		4 / 7 LYS A  69
LEU A  68
PHE A 109
LEU A 113
 None
None
None
45D  A 501 ( 4.8A)
 1.00A 5x1fP-5hgrA:
undetectable
5x1fW-5hgrA:
undetectable		 5x1fP-5hgrA:
20.25
5x1fW-5hgrA:
12.00