SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'B7E'


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.
1D1G_A_MTXA171_1
(DIHYDROFOLATE
REDUCTASE)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ASP A 632
GLU A 534
ILE A 535
ARG A 537
ILE A 635
 None
None
None
B7E  A 901 (-3.9A)
None
 1.22A 1d1gA-6ej2A:
undetectable		 1d1gA-6ej2A:
19.28
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.
1YA3_B_STRB2001_2
(MINERALOCORTICOID
RECEPTOR)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		3 / 3 LEU A 530
LEU A 439
MET A 427
 None
B7E  A 901 (-4.6A)
None
 0.53A 1ya3B-6ej2A:
undetectable		 1ya3B-6ej2A:
17.32
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.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 LEU A 439
ASP A 441
GLY A 443
ASN A 446
ILE A 527
 B7E  A 901 (-4.6A)
B7E  A 901 (-2.9A)
B7E  A 901 ( 3.8A)
B7E  A 901 (-4.2A)
B7E  A 901 (-4.4A)
 0.78A 2pymA-6ej2A:
6.7		 2pymA-6ej2A:
22.00
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.
2PYN_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 LEU A 439
ASP A 441
GLY A 443
ASN A 446
ILE A 527
 B7E  A 901 (-4.6A)
B7E  A 901 (-2.9A)
B7E  A 901 ( 3.8A)
B7E  A 901 (-4.2A)
B7E  A 901 (-4.4A)
 0.77A 2pynA-6ej2A:
6.8		 2pynA-6ej2A:
22.00
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.
2PYN_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 LEU A 439
ASP A 441
GLY A 443
ASN A 446
ILE A 527
 B7E  A 901 (-4.6A)
B7E  A 901 (-2.9A)
B7E  A 901 ( 3.8A)
B7E  A 901 (-4.2A)
B7E  A 901 (-4.4A)
 0.78A 2pynB-6ej2A:
6.8		 2pynB-6ej2A:
22.00
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.
2QAK_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 LEU A 439
ASP A 441
GLY A 443
ASN A 446
ILE A 527
 B7E  A 901 (-4.6A)
B7E  A 901 (-2.9A)
B7E  A 901 ( 3.8A)
B7E  A 901 (-4.2A)
B7E  A 901 (-4.4A)
 0.79A 2qakB-6ej2A:
6.6		 2qakB-6ej2A:
25.53
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.
2RKG_B_AB1B501_2
(PROTEASE RETROPEPSIN)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 LEU A 439
ASP A 441
GLY A 443
VAL A 478
ILE A 527
 B7E  A 901 (-4.6A)
B7E  A 901 (-2.9A)
B7E  A 901 ( 3.8A)
None
B7E  A 901 (-4.4A)
 0.66A 2rkgB-6ej2A:
6.9		 2rkgB-6ej2A:
19.42
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.
2V0Z_C_C41C1328_1
(RENIN)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ASP A 441
GLY A 443
SER A 444
ASP A 637
GLY A 639
 B7E  A 901 (-2.9A)
B7E  A 901 ( 3.8A)
B7E  A 901 ( 3.7A)
B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
 0.34A 2v0zC-6ej2A:
33.9		 2v0zC-6ej2A:
13.38
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.
2V0Z_C_C41C1328_1
(RENIN)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		6 / 12 ASP A 637
GLY A 639
VAL A 741
ASP A 441
GLY A 443
SER A 445
 B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
None
B7E  A 901 (-2.9A)
B7E  A 901 ( 3.8A)
None
 1.04A 2v0zC-6ej2A:
33.9		 2v0zC-6ej2A:
13.38
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.
2V0Z_O_C41O1327_1
(RENIN)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		6 / 12 ASP A 637
GLY A 639
VAL A 741
ASP A 441
GLY A 443
SER A 445
 B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
None
B7E  A 901 (-2.9A)
B7E  A 901 ( 3.8A)
None
 1.03A 2v0zO-6ej2A:
34.1		 2v0zO-6ej2A:
13.38
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.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 GLY A 743
GLY A 422
LEU A 563
ILE A 519
LEU A 439
 None
B7E  A 901 (-3.8A)
None
None
B7E  A 901 (-4.6A)
 1.07A 2zbpA-6ej2A:
undetectable		 2zbpA-6ej2A:
undetectable
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.
3BUF_A_AEGA394_0
(BETA-SECRETASE 1)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 5 LEU A 439
ASP A 441
ILE A 519
ILE A 527
GLY A 639
 B7E  A 901 (-4.6A)
B7E  A 901 (-2.9A)
None
B7E  A 901 (-4.4A)
B7E  A 901 (-3.8A)
 0.39A 3bufA-6ej2A:
59.6		 3bufA-6ej2A:
undetectable
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.
3D91_A_REMA350_1
(RENIN)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ASP A 637
GLY A 639
LEU A 439
ASP A 441
SER A 445
 B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
B7E  A 901 (-4.6A)
B7E  A 901 (-2.9A)
None
 0.70A 3d91A-6ej2A:
15.2		 3d91A-6ej2A:
13.38
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.
3D91_B_REMB350_1
(RENIN)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ASP A 637
GLY A 639
LEU A 439
ASP A 441
SER A 445
 B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
B7E  A 901 (-4.6A)
B7E  A 901 (-2.9A)
None
 0.71A 3d91B-6ej2A:
33.8		 3d91B-6ej2A:
13.38
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.
3D91_B_REMB350_1
(RENIN)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ASP A 637
GLY A 639
VAL A 741
LEU A 439
ASP A 441
 B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
None
B7E  A 901 (-4.6A)
B7E  A 901 (-2.9A)
 0.79A 3d91B-6ej2A:
33.8		 3d91B-6ej2A:
13.38
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.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 LEU A 530
ASP A 441
VAL A 440
GLY A 443
TYR A 608
 None
B7E  A 901 (-2.9A)
None
B7E  A 901 ( 3.8A)
None
 1.36A 3hgiA-6ej2A:
undetectable		 3hgiA-6ej2A:
undetectable
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.
3PWW_A_ROCA1001_2
(ENDOTHIAPEPSIN)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		4 / 8 GLY A 443
SER A 444
ASP A 637
THR A 641
 B7E  A 901 ( 3.8A)
B7E  A 901 ( 3.7A)
B7E  A 901 (-2.6A)
None
 0.30A 3pwwA-6ej2A:
9.0		 3pwwA-6ej2A:
13.18
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.
3Q70_A_RITA2001_1
(CANDIDAPEPSIN-2)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ILE A 635
ASP A 637
GLY A 639
ASP A 441
ILE A 527
 None
B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
B7E  A 901 (-2.9A)
B7E  A 901 (-4.4A)
 0.65A 3q70A-6ej2A:
31.9		 3q70A-6ej2A:
13.16
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.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ILE A 635
ASP A 637
GLY A 639
ASP A 441
ILE A 527
 None
B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
B7E  A 901 (-2.9A)
B7E  A 901 (-4.4A)
 0.64A 3tneA-6ej2A:
32.2		 3tneA-6ej2A:
11.68
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.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ILE A 635
ASP A 637
GLY A 639
ASP A 441
ILE A 527
 None
B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
B7E  A 901 (-2.9A)
B7E  A 901 (-4.4A)
 0.67A 3tneB-6ej2A:
32.0		 3tneB-6ej2A:
11.68
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.
3TNE_B_RITB401_2
(SECRETED ASPARTIC
PROTEASE)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		4 / 7 SER A 444
ILE A 527
THR A 640
THR A 641
 B7E  A 901 ( 3.7A)
B7E  A 901 (-4.4A)
None
None
 0.39A 3tneB-6ej2A:
32.1		 3tneB-6ej2A:
11.68
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.
4OQR_A_2UOA502_1
(CYP105AS1)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 9 VAL A 504
ILE A 527
VAL A 449
ALA A 448
ALA A 506
 None
B7E  A 901 (-4.4A)
None
None
None
 1.19A 4oqrA-6ej2A:
undetectable		 4oqrA-6ej2A:
12.69
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.
4Q5M_A_ROCA1101_3
(PROTEASE)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		3 / 3 ASP A 441
ASP A 637
ASN A 642
 B7E  A 901 (-2.9A)
B7E  A 901 (-2.6A)
None
 0.63A 4q5mA-6ej2A:
9.1		 4q5mA-6ej2A:
21.20
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.
4Q5M_A_ROCA1101_3
(PROTEASE)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		3 / 3 ASP A 637
ASP A 441
ASN A 446
 B7E  A 901 (-2.6A)
B7E  A 901 (-2.9A)
B7E  A 901 (-4.2A)
 0.50A 4q5mA-6ej2A:
9.1		 4q5mA-6ej2A:
21.20
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.
5BW4_B_SAMB301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 GLY A 529
PRO A 544
ALA A 536
LEU A 439
LEU A 530
 None
None
None
B7E  A 901 (-4.6A)
None
 1.21A 5bw4B-6ej2A:
undetectable		 5bw4B-6ej2A:
undetectable
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.
5MRA_B_DM2B204_1
(SORCIN)		 6ej2 BETA-SECRETASE 1
(Homo
sapiens) 		4 / 6 THR A 738
ARG A 644
ASP A 637
GLY A 443
 None
None
B7E  A 901 (-2.6A)
B7E  A 901 ( 3.8A)
 1.19A 5mraA-6ej2A:
undetectable
5mraB-6ej2A:
undetectable		 5mraA-6ej2A:
20.96
5mraB-6ej2A:
20.96