SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4iin'

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.
1CBS_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE II)
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori)
5 / 12 LEU A  46
ILE A  21
ALA A  22
ALA A  26
VAL A   8
None
0.99A 1cbsA-4iinA:
undetectable
1cbsA-4iinA:
18.32
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.
1XDK_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori)
5 / 12 ILE A  21
ASN A  35
LEU A  25
ALA A  26
VAL A 140
None
NAD  A 301 (-3.6A)
None
None
NAD  A 301 (-4.7A)
1.13A 1xdkA-4iinA:
undetectable
1xdkA-4iinA:
23.13
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.
2Y00_A_Y00A601_1
(BETA-1 ADRENERGIC
RECEPTOR)
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori)
5 / 12 LEU A  46
VAL A  42
PHE A  62
PHE A  70
ASN A  35
None
None
None
None
NAD  A 301 (-3.6A)
1.41A 2y00A-4iinA:
undetectable
2y00A-4iinA:
20.12
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori)
5 / 10 GLY A  92
ALA A  91
ASN A  35
GLY A  18
ILE A  17
NAD  A 301 (-4.1A)
NAD  A 301 (-3.5A)
NAD  A 301 (-3.6A)
NAD  A 301 (-4.7A)
NAD  A 301 (-3.6A)
0.97A 3lzvA-4iinA:
undetectable
3lzvA-4iinA:
16.42
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.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori)
4 / 5 SER A 142
ILE A  17
TYR A 155
GLY A 186
NAD  A 301 (-3.4A)
NAD  A 301 (-3.6A)
NAD  A 301 (-4.7A)
None
1.03A 3uboB-4iinA:
6.6
3uboB-4iinA:
23.69
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.
4AC9_B_DXCB1473_0
(MJ0495-LIKE PROTEIN)
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori)
5 / 11 ILE A  21
ILE A  17
GLY A  16
VAL A 241
GLY A 214
None
NAD  A 301 (-3.6A)
NAD  A 301 (-3.5A)
None
None
1.01A 4ac9B-4iinA:
6.8
4ac9C-4iinA:
6.0
4ac9B-4iinA:
22.47
4ac9C-4iinA:
22.47
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.
4DF3_A_SAMA301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori)
5 / 12 LYS A  31
GLY A  83
ASP A  81
VAL A  78
GLN A  79
None
1.31A 4df3A-4iinA:
9.2
4df3A-4iinA:
24.75
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.
4DF3_B_SAMB301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori)
5 / 12 LYS A  31
GLY A  83
ASP A  81
VAL A  78
GLN A  79
None
1.34A 4df3B-4iinA:
9.3
4df3B-4iinA:
24.75
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.
4DUB_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori)
4 / 6 PHE A  62
ALA A  73
GLY A 121
LEU A   9
None
0.66A 4dubA-4iinA:
undetectable
4dubA-4iinA:
20.26
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.
4HXY_B_ACAB502_1
(PLM1)
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori)
4 / 7 VAL A  94
SER A 142
GLN A 152
TYR A 155
None
NAD  A 301 (-3.4A)
None
NAD  A 301 (-4.7A)
0.53A 4hxyB-4iinA:
20.3
4hxyB-4iinA:
18.36
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.
4PB1_A_RBVA501_1
(NUPC FAMILY PROTEIN)
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori)
5 / 12 GLY A 173
ASN A  89
PHE A 180
ASN A 139
SER A 166
None
1.09A 4pb1A-4iinA:
undetectable
4pb1A-4iinA:
22.90
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.
5JI0_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori)
5 / 11 ILE A  21
LEU A  46
LEU A  25
ALA A  26
VAL A 140
None
None
None
None
NAD  A 301 (-4.7A)
1.12A 5ji0A-4iinA:
undetectable
5ji0A-4iinA:
22.22