SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3LL'


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.
1YA3_B_STRB2001_2
(MINERALOCORTICOID
RECEPTOR)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		3 / 3 LEU A 121
LEU A  30
MET A  18
 None
3LL  A 501 (-4.2A)
None
 0.53A 1ya3B-4rcdA:
undetectable		 1ya3B-4rcdA:
19.62
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.
2F80_B_017B301_2
(POL POLYPROTEIN)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 LEU A  30
ASP A  32
GLY A  34
ASN A  37
ILE A 118
 3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
None
3LL  A 501 (-4.6A)
 0.79A 2f80B-4rcdA:
6.5		 2f80B-4rcdA:
14.11
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.
2Q64_B_1UNB1001_1
(PROTEASE RETROPEPSIN)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 LEU A  30
ASP A  32
GLY A  34
ASN A  37
ILE A 118
 3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
None
3LL  A 501 (-4.6A)
 0.75A 2q64A-4rcdA:
6.7		 2q64A-4rcdA:
15.11
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)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 LEU A  30
ASP A  32
GLY A  34
ASN A  37
ILE A 118
 3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
None
3LL  A 501 (-4.6A)
 0.86A 2qakB-4rcdA:
6.7		 2qakB-4rcdA:
15.11
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)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 LEU A  30
ASP A  32
GLY A  34
VAL A  69
ILE A 118
 3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
None
3LL  A 501 (-4.6A)
 0.66A 2rkgB-4rcdA:
6.9		 2rkgB-4rcdA:
15.93
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)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ASP A  32
GLY A  34
SER A  35
ASP A 228
GLY A 230
 3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
3LL  A 501 ( 4.3A)
3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
 0.32A 2v0zC-4rcdA:
34.5		 2v0zC-4rcdA:
26.25
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.
2V0Z_C_C41C1328_1
(RENIN)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		6 / 12 ASP A 228
GLY A 230
VAL A 332
ASP A  32
GLY A  34
SER A  36
 3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
None
3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
None
 1.04A 2v0zC-4rcdA:
34.5		 2v0zC-4rcdA:
26.25
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.
2V0Z_O_C41O1327_1
(RENIN)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		6 / 12 ASP A 228
GLY A 230
VAL A 332
ASP A  32
GLY A  34
SER A  36
 3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
None
3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
None
 1.03A 2v0zO-4rcdA:
34.6		 2v0zO-4rcdA:
26.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BUF_A_AEGA394_0
(BETA-SECRETASE 1)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 5 LEU A  30
ASP A  32
ILE A 110
ILE A 118
GLY A 230
 3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
None
3LL  A 501 (-4.6A)
3LL  A 501 (-3.0A)
 0.12A 3bufA-4rcdA:
60.0		 3bufA-4rcdA:
99.26
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)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ASP A 228
GLY A 230
LEU A  30
ASP A  32
SER A  36
 3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
None
 0.73A 3d91A-4rcdA:
34.7		 3d91A-4rcdA:
26.63
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)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ASP A 228
GLY A 230
THR A  72
LEU A  30
ASP A  32
 3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
None
3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
 1.08A 3d91A-4rcdA:
34.7		 3d91A-4rcdA:
26.63
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)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ASP A 228
GLY A 230
LEU A  30
ASP A  32
SER A  36
 3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
None
 0.72A 3d91B-4rcdA:
34.3		 3d91B-4rcdA:
26.63
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)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		6 / 12 ASP A 228
GLY A 230
THR A  72
VAL A 332
LEU A  30
ASP A  32
 3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
None
None
3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
 1.06A 3d91B-4rcdA:
34.3		 3d91B-4rcdA:
26.63
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)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 LEU A 121
ASP A  32
VAL A  31
GLY A  34
TYR A 199
 None
3LL  A 501 (-2.8A)
None
3LL  A 501 ( 3.9A)
None
 1.36A 3hgiA-4rcdA:
undetectable		 3hgiA-4rcdA:
24.11
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)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		4 / 8 GLY A  34
SER A  35
ASP A 228
THR A 232
 3LL  A 501 ( 3.9A)
3LL  A 501 ( 4.3A)
3LL  A 501 (-2.6A)
GOL  A 506 ( 4.3A)
 0.24A 3pwwA-4rcdA:
32.4		 3pwwA-4rcdA:
28.64
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)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ILE A 226
ASP A 228
GLY A 230
ASP A  32
ILE A 118
 None
3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
3LL  A 501 (-2.8A)
3LL  A 501 (-4.6A)
 0.65A 3q70A-4rcdA:
8.9		 3q70A-4rcdA:
25.17
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.
3S43_A_478A401_2
(PROTEASE)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 10 LEU A  30
ASP A  32
GLY A  34
VAL A  69
ILE A 118
 3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
None
3LL  A 501 (-4.6A)
 0.80A 3s43B-4rcdA:
6.3		 3s43B-4rcdA:
15.43
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.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ILE A 226
ASP A 228
GLY A 230
ASP A  32
ILE A 118
 None
3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
3LL  A 501 (-2.8A)
3LL  A 501 (-4.6A)
 0.67A 3tneA-4rcdA:
32.6		 3tneA-4rcdA:
24.88
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)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ILE A 226
ASP A 228
GLY A 230
ASP A  32
ILE A 118
 None
3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
3LL  A 501 (-2.8A)
3LL  A 501 (-4.6A)
 0.67A 3tneB-4rcdA:
32.5		 3tneB-4rcdA:
24.88
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.
4G1B_D_ECND403_1
(FLAVOHEMOGLOBIN)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 ILE A 118
GLN A  73
THR A 231
TYR A 198
ILE A 226
 3LL  A 501 (-4.6A)
None
None
None
None
 1.08A 4g1bD-4rcdA:
undetectable		 4g1bD-4rcdA:
22.49
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)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 9 VAL A  95
ILE A 118
VAL A  40
ALA A  39
ALA A  97
 None
3LL  A 501 (-4.6A)
None
None
None
 1.29A 4oqrA-4rcdA:
undetectable		 4oqrA-4rcdA:
22.15
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)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		3 / 3 ASP A  32
ASP A 228
ASN A 233
 3LL  A 501 (-2.8A)
3LL  A 501 (-2.6A)
None
 0.57A 4q5mA-4rcdA:
9.3		 4q5mA-4rcdA:
19.76
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)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		3 / 3 ASP A 228
ASP A  32
ASN A  37
 3LL  A 501 (-2.6A)
3LL  A 501 (-2.8A)
None
 0.62A 4q5mA-4rcdA:
9.3		 4q5mA-4rcdA:
19.76
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)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 GLY A 120
PRO A 135
ALA A 127
LEU A  30
LEU A 121
 None
None
None
3LL  A 501 (-4.2A)
None
 1.19A 5bw4B-4rcdA:
undetectable		 5bw4B-4rcdA:
21.77
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.
5E5J_A_017A201_1
(PROTEASE)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 LEU A  30
ASP A  32
GLY A  34
VAL A  69
ILE A 118
 3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
None
3LL  A 501 (-4.6A)
 0.80A 5e5jA-4rcdA:
6.5		 5e5jA-4rcdA:
15.43
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.
5T8H_B_478B401_1
(PROTEASE)		 4rcd BETA-SECRETASE 1
(Homo
sapiens) 		5 / 12 LEU A  30
ASP A  32
GLY A  34
VAL A  69
ILE A 118
 3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
None
3LL  A 501 (-4.6A)
 0.85A 5t8hA-4rcdA:
6.4		 5t8hA-4rcdA:
15.43