SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3AG'


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.
2W9S_C_TOPC1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 10 ALA A 453
LEU A 492
ILE A 344
ILE A 571
PHE A 578
 3AG  A 900 ( 4.4A)
3AG  A 900 (-4.9A)
3AG  A 900 (-3.6A)
None
3AG  A 900 (-3.6A)
 1.19A 2w9sC-1n21A:
undetectable		 2w9sC-1n21A:
14.03
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.
3BJW_B_SVRB501_2
(PHOSPHOLIPASE A2)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 11 LEU A 492
GLY A 489
ILE A 450
PRO A 455
SER A 459
 3AG  A 900 (-4.9A)
None
None
None
None
 1.27A 3bjwB-1n21A:
0.0		 3bjwB-1n21A:
11.65
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.
3BJW_E_SVRE503_1
(PHOSPHOLIPASE A2)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 11 LEU A 492
GLY A 489
ILE A 450
PRO A 455
SER A 459
 3AG  A 900 (-4.9A)
None
None
None
None
 1.23A 3bjwE-1n21A:
undetectable		 3bjwE-1n21A:
11.65
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.
3BJW_F_SVRF502_3
(PHOSPHOLIPASE A2)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 12 LEU A 492
GLY A 489
ILE A 450
PRO A 455
SER A 459
 3AG  A 900 (-4.9A)
None
None
None
None
 1.18A 3bjwF-1n21A:
undetectable		 3bjwF-1n21A:
11.65
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.
3BJW_H_SVRH504_3
(PHOSPHOLIPASE A2)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 11 LEU A 492
GLY A 489
ILE A 450
PRO A 455
SER A 459
 3AG  A 900 (-4.9A)
None
None
None
None
 1.21A 3bjwH-1n21A:
undetectable		 3bjwH-1n21A:
11.65
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.
3SDR_A_210A822_1
(ALPHA-BISABOLENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		4 / 4 ASP A 351
ASP A 355
ARG A 493
ASP A 496
 MG  A 703 (-2.4A)
MG  A 703 (-2.7A)
3AG  A 900 (-2.5A)
MG  A 702 ( 2.6A)
 0.77A 3sdrA-1n21A:
37.7		 3sdrA-1n21A:
27.03
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.
3SDR_A_210A822_1
(ALPHA-BISABOLENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		4 / 4 ASP A 355
ASP A 509
ARG A 493
ASP A 496
 MG  A 703 (-2.7A)
MG  A 701 ( 4.4A)
3AG  A 900 (-2.5A)
MG  A 702 ( 2.6A)
 1.41A 3sdrA-1n21A:
37.7		 3sdrA-1n21A:
27.03
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.
3SDV_A_911A822_0
(ALPHA-BISABOLENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		4 / 4 ASP A 351
ASP A 355
ARG A 493
ASP A 496
 MG  A 703 (-2.4A)
MG  A 703 (-2.7A)
3AG  A 900 (-2.5A)
MG  A 702 ( 2.6A)
 0.81A 3sdvA-1n21A:
37.0		 3sdvA-1n21A:
27.03
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.
3SDV_A_911A822_0
(ALPHA-BISABOLENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		4 / 4 ASP A 355
ASP A 509
ARG A 493
ASP A 496
 MG  A 703 (-2.7A)
MG  A 701 ( 4.4A)
3AG  A 900 (-2.5A)
MG  A 702 ( 2.6A)
 1.35A 3sdvA-1n21A:
37.0		 3sdvA-1n21A:
27.03
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.
3UFN_A_ROCA402_1
(HIV-1 PROTEASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		4 / 5 ARG A 493
LEU A 445
PRO A 439
ASP A 497
 3AG  A 900 (-2.5A)
None
None
None
 1.18A 3ufnA-1n21A:
undetectable
3ufnB-1n21A:
undetectable		 3ufnA-1n21A:
9.32
3ufnB-1n21A:
9.32
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.
5ERM_A_210A401_1
(FUSICOCCADIENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		6 / 10 ASP A 351
ASP A 355
ARG A 493
VAL A 452
GLU A 504
ARG A 314
 MG  A 703 (-2.4A)
MG  A 703 (-2.7A)
3AG  A 900 (-2.5A)
3AG  A 900 ( 4.8A)
MG  A 702 ( 2.6A)
3AG  A 900 (-3.0A)
 1.17A 5ermA-1n21A:
8.9		 5ermA-1n21A:
22.65
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.
5ERM_A_210A401_1
(FUSICOCCADIENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 10 ASP A 509
ARG A 493
VAL A 452
GLU A 504
ARG A 314
 MG  A 701 ( 4.4A)
3AG  A 900 (-2.5A)
3AG  A 900 ( 4.8A)
MG  A 702 ( 2.6A)
3AG  A 900 (-3.0A)
 1.36A 5ermA-1n21A:
8.9		 5ermA-1n21A:
22.65
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.
5ERM_B_210B704_1
(FUSICOCCADIENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 9 ASP A 351
ARG A 493
VAL A 452
GLU A 504
ARG A 314
 MG  A 703 (-2.4A)
3AG  A 900 (-2.5A)
3AG  A 900 ( 4.8A)
MG  A 702 ( 2.6A)
3AG  A 900 (-3.0A)
 1.11A 5ermB-1n21A:
12.7		 5ermB-1n21A:
22.65
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.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 9 ASP A 355
ASP A 509
ARG A 314
ASP A 496
ASP A 497
 MG  A 703 (-2.7A)
MG  A 701 ( 4.4A)
3AG  A 900 (-3.0A)
MG  A 702 ( 2.6A)
None
 1.14A 5eroB-1n21A:
10.0		 5eroB-1n21A:
19.82
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.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 10 ASP A 351
ASP A 352
ARG A 314
ASP A 496
ASP A 497
 MG  A 703 (-2.4A)
None
3AG  A 900 (-3.0A)
MG  A 702 ( 2.6A)
None
 0.80A 5eroC-1n21A:
11.3		 5eroC-1n21A:
19.82
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.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 10 ASP A 355
ASP A 352
ARG A 314
ASP A 496
ASP A 497
 MG  A 703 (-2.7A)
None
3AG  A 900 (-3.0A)
MG  A 702 ( 2.6A)
None
 1.36A 5eroC-1n21A:
11.3		 5eroC-1n21A:
19.82
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.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 10 ASP A 355
ASP A 509
ARG A 314
ASP A 496
ASP A 497
 MG  A 703 (-2.7A)
MG  A 701 ( 4.4A)
3AG  A 900 (-3.0A)
MG  A 702 ( 2.6A)
None
 1.16A 5eroC-1n21A:
11.3		 5eroC-1n21A:
19.82
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		 1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE
(Salvia
officinalis) 		5 / 12 PHE A 578
ASP A 352
ILE A 450
ALA A 488
ALA A 568
 3AG  A 900 (-3.6A)
None
None
None
None
 1.17A 5vcgA-1n21A:
undetectable		 5vcgA-1n21A:
20.88