SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4n4w'

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.
1C4D_D_DVAD6_0
(GRAMICIDIN A)		 4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG
(Shigella
flexneri;
Homo
sapiens) 		3 / 3 TRP A 537
ALA A 540
VAL A 536
 None
 0.91A 1c4dC-4n4wA:
undetectable
1c4dD-4n4wA:
undetectable		 1c4dC-4n4wA:
3.36
1c4dD-4n4wA:
3.36
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.
2GJ5_A_VD3A164_1
(BETA-LACTOGLOBULIN)		 4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG
(Homo
sapiens;
Shigella
flexneri) 		4 / 5 ASP A  73
LEU A  76
LYS A  77
ARG A  34
 None
 1.04A 2gj5A-4n4wA:
undetectable		 2gj5A-4n4wA:
14.63
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.
3FAL_A_REAA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG
(Homo
sapiens;
Shigella
flexneri) 		5 / 10 ALA A  36
ALA A  35
ALA A  40
VAL A  16
ILE A  17
 None
 1.09A 3falA-4n4wA:
undetectable		 3falA-4n4wA:
21.74
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.
3T3C_A_017A201_1
(HIV-1 PROTEASE)		 4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG
(Homo
sapiens;
Shigella
flexneri) 		4 / 7 ASP A  39
GLY A  -1
ASP A   2
ASP A   5
 None
 0.76A 3t3cA-4n4wA:
undetectable		 3t3cA-4n4wA:
13.58
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.
4QZU_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)		 4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG
(Shigella
flexneri;
Homo
sapiens) 		5 / 12 ILE A  17
ALA A  75
GLN A  71
THR A  97
LEU A  14
 None
 1.32A 4qzuA-4n4wA:
undetectable		 4qzuA-4n4wA:
14.41
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.
4RP9_A_ASCA501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG
(Shigella
flexneri;
Homo
sapiens) 		5 / 12 TYR A 262
HIS A 361
CYH A 273
ALA A 272
ILE A 266
 None
OLC  A 609 (-3.7A)
None
None
None
 1.40A 4rp9A-4n4wA:
undetectable		 4rp9A-4n4wA:
23.85
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.
4U15_B_0HKB1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG
(Homo
sapiens;
Shigella
flexneri) 		5 / 12 THR A 248
THR A 251
ALA A 250
ALA A 254
TYR A 269
 None
 1.34A 4u15B-4n4wA:
18.4		 4u15B-4n4wA:
19.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		 4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG
(Homo
sapiens;
Shigella
flexneri) 		11 / 12 ASN A 219
TRP A 281
ASP A 384
SER A 387
TYR A 394
ARG A 400
GLN A 477
PHE A 484
GLU A 518
ASN A 521
LEU A 522
 None
None
SNT  A 605 ( 4.7A)
SNT  A 605 (-4.6A)
None
None
None
None
SNT  A 605 (-4.0A)
SNT  A 605 (-3.6A)
SNT  A 605 ( 4.4A)
 0.65A 5l7iA-4n4wA:
45.6		 5l7iA-4n4wA:
61.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		 4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG
(Homo
sapiens;
Shigella
flexneri) 		8 / 12 ASN A 219
TRP A 281
ASP A 384
SER A 387
TYR A 394
GLN A 477
LEU A 522
MET A 525
 None
None
SNT  A 605 ( 4.7A)
SNT  A 605 (-4.6A)
None
None
SNT  A 605 ( 4.4A)
SNT  A 605 (-4.6A)
 0.73A 5l7iA-4n4wA:
45.6		 5l7iA-4n4wA:
61.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5L7I_B_VISB1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		 4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG
(Homo
sapiens;
Shigella
flexneri) 		11 / 12 TRP A 281
ASP A 384
SER A 387
TYR A 394
ARG A 400
ASP A 473
GLN A 477
PRO A 513
GLU A 518
ASN A 521
LEU A 522
 None
SNT  A 605 ( 4.7A)
SNT  A 605 (-4.6A)
None
None
None
None
None
SNT  A 605 (-4.0A)
SNT  A 605 (-3.6A)
SNT  A 605 ( 4.4A)
 0.60A 5l7iB-4n4wA:
37.8		 5l7iB-4n4wA:
61.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5L7I_B_VISB1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		 4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG
(Homo
sapiens;
Shigella
flexneri) 		8 / 12 TRP A 281
ASP A 384
SER A 387
TYR A 394
ASP A 473
PRO A 513
LEU A 522
MET A 525
 None
SNT  A 605 ( 4.7A)
SNT  A 605 (-4.6A)
None
None
None
SNT  A 605 ( 4.4A)
SNT  A 605 (-4.6A)
 0.68A 5l7iB-4n4wA:
37.8		 5l7iB-4n4wA:
61.97
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.
5MM4_B_TA1B501_1
(TUBULIN BETA CHAIN)		 4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG
(Homo
sapiens;
Shigella
flexneri) 		5 / 10 LEU A  14
ALA A  40
PHE A  65
THR A  97
PRO A  45
 None
 1.44A 5mm4B-4n4wA:
undetectable		 5mm4B-4n4wA:
10.45