SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3be8'

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.
1RJD_A_SAMA801_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		4 / 6 TYR A 468
ASP A 535
ASN A 537
GLU A 492
 None
 1.11A 1rjdA-3be8A:
undetectable		 1rjdA-3be8A:
20.13
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.
1RJD_B_SAMB802_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		4 / 6 TYR A 468
ASP A 535
ASN A 537
GLU A 492
 None
 1.08A 1rjdB-3be8A:
2.6		 1rjdB-3be8A:
20.13
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.
1RJD_C_SAMC803_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		4 / 6 TYR A 468
ASP A 535
ASN A 537
GLU A 492
 None
 1.08A 1rjdC-3be8A:
2.8		 1rjdC-3be8A:
20.13
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.
2G70_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		4 / 7 TYR A 152
GLY A 182
THR A 200
ASN A 202
 None
 1.07A 2g70A-3be8A:
undetectable		 2g70A-3be8A:
19.05
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.
2G70_B_SAMB2002_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		4 / 7 TYR A 152
GLY A 182
THR A 200
ASN A 202
 None
 1.03A 2g70B-3be8A:
undetectable		 2g70B-3be8A:
19.05
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.
2QBN_A_CAMA442_0
(CYTOCHROME P450-CAM)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		4 / 7 VAL A 441
VAL A 384
ASP A 388
VAL A 390
 None
 0.86A 2qbnA-3be8A:
undetectable		 2qbnA-3be8A:
21.12
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.
3CLD_B_GW6B2_2
(GLUCOCORTICOID
RECEPTOR)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		4 / 8 LEU A 262
MET A 357
LEU A 356
ILE A 172
 None
 0.91A 3cldB-3be8A:
undetectable		 3cldB-3be8A:
16.19
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.
3F8F_A_DM1A127_1
(TRANSCRIPTIONAL
REGULATOR, PADR-LIKE
FAMILY)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		5 / 10 ALA A 191
ALA A 531
MET A 169
VAL A 238
ASP A 158
 None
 1.22A 3f8fA-3be8A:
0.0
3f8fB-3be8A:
0.0		 3f8fA-3be8A:
11.80
3f8fB-3be8A:
11.80
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.
3ZQT_A_30ZA1920_1
(ANDROGEN RECEPTOR)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		4 / 6 GLY A  68
LEU A  62
ASN A  64
GLU A  65
 NA  A 626 ( 4.8A)
None
None
None
 0.96A 3zqtA-3be8A:
undetectable		 3zqtA-3be8A:
18.78
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.
4I90_A_ACTA500_0
(1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		3 / 3 LYS A 438
ARG A 437
TRP A 484
 None
 1.41A 4i90A-3be8A:
undetectable		 4i90A-3be8A:
19.52
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.
4QTU_D_SAMD301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		5 / 12 GLY A 256
GLY A 254
SER A 176
ILE A 278
SER A 261
 None
PO4  A 623 (-3.3A)
PO4  A 623 (-2.5A)
None
None
 1.04A 4qtuD-3be8A:
undetectable		 4qtuD-3be8A:
16.84
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.
4WAN_C_ACTC303_0
(BRANCHPOINT-BRIDGING
PROTEIN)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		3 / 3 ASP A 385
ARG A 436
PRO A 433
 None
 0.83A 4wanC-3be8A:
undetectable		 4wanC-3be8A:
12.16
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.
4WQ5_B_ACTB404_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		3 / 3 TYR A 424
ARG A 583
LYS A 586
 None
CL  A 625 (-4.9A)
CL  A 625 (-4.6A)
 1.32A 4wq5B-3be8A:
undetectable		 4wq5B-3be8A:
19.22
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.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		3 / 3 LYS A 166
ILE A 197
ILE A 151
 None
 0.64A 4y0qA-3be8A:
1.6		 4y0qA-3be8A:
15.90
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.
4ZJZ_B_BEZB601_0
(BENZOATE-COENZYME A
LIGASE)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		5 / 8 PRO A 125
VAL A 493
GLY A 254
ALA A 255
GLY A 174
 PO4  A 623 (-4.4A)
None
PO4  A 623 (-3.3A)
PO4  A 623 (-3.3A)
PO4  A 623 ( 3.6A)
 1.21A 4zjzB-3be8A:
4.0		 4zjzB-3be8A:
21.53
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		5 / 11 VAL A 170
PHE A 497
GLY A 256
GLY A 254
ILE A 278
 None
None
None
PO4  A 623 (-3.3A)
None
 1.44A 4zvmA-3be8A:
2.1
4zvmB-3be8A:
2.8		 4zvmA-3be8A:
18.01
4zvmB-3be8A:
18.01
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.
5E26_D_PAUD601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		4 / 8 VAL A 496
GLY A 490
SER A 280
GLY A 254
 None
None
None
PO4  A 623 (-3.3A)
 0.87A 5e26C-3be8A:
3.3
5e26D-3be8A:
1.0		 5e26C-3be8A:
20.60
5e26D-3be8A:
20.60
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.
5ESE_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		5 / 8 LEU A 132
ILE A 185
PHE A 128
GLY A 174
LEU A 205
 None
None
None
PO4  A 623 ( 3.6A)
None
 1.03A 5eseA-3be8A:
undetectable		 5eseA-3be8A:
22.91
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.
5FSA_A_X2NA590_1
(CYP51 VARIANT1)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		5 / 12 LEU A 132
ILE A 185
PHE A 128
GLY A 174
LEU A 205
 None
None
None
PO4  A 623 ( 3.6A)
None
 1.01A 5fsaA-3be8A:
undetectable		 5fsaA-3be8A:
21.41
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.
5FSA_B_X2NB590_1
(CYP51 VARIANT1)		 3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens) 		5 / 12 LEU A 132
PHE A 128
ILE A 172
GLY A 174
HIS A 113
 None
None
None
PO4  A 623 ( 3.6A)
None
 1.25A 5fsaB-3be8A:
undetectable		 5fsaB-3be8A:
21.41