SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3m4e'

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.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		 3m4e ALPHA-HEMOLYSIN
(Staphylococcus
aureus) 		5 / 10 GLY A 192
ASN A 264
TYR A 191
THR A 268
GLY A 267
 None
 1.49A 1kvlA-3m4eA:
undetectable		 1kvlA-3m4eA:
23.12
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.
1MT1_A_AG2A7005_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 3m4e ALPHA-HEMOLYSIN
(Staphylococcus
aureus) 		4 / 6 ASP A 272
ILE A 170
GLU A 250
ARG A 184
 None
 1.06A 1mt1A-3m4eA:
undetectable
1mt1F-3m4eA:
undetectable		 1mt1A-3m4eA:
10.75
1mt1F-3m4eA:
14.13
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.
1MT1_B_AG2B7001_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 3m4e ALPHA-HEMOLYSIN
(Staphylococcus
aureus) 		4 / 6 ILE A 170
GLU A 250
ARG A 184
ASP A 272
 None
 0.99A 1mt1B-3m4eA:
undetectable
1mt1C-3m4eA:
undetectable		 1mt1B-3m4eA:
14.13
1mt1C-3m4eA:
10.75
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.
2F9W_A_PAUA6002_0
(PANTOTHENATE KINASE)		 3m4e ALPHA-HEMOLYSIN
(Staphylococcus
aureus) 		4 / 8 THR A 230
GLY A 166
THR A 161
ILE A  98
 None
 0.81A 2f9wA-3m4eA:
undetectable
2f9wB-3m4eA:
undetectable		 2f9wA-3m4eA:
20.43
2f9wB-3m4eA:
20.43
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.
2IZQ_A_DVAA8_0
(GRAMICIDIN D)		 3m4e ALPHA-HEMOLYSIN
(Staphylococcus
aureus) 		3 / 3 VAL A 169
TRP A 167
VAL A  86
 None
 0.94A 2izqA-3m4eA:
undetectable
2izqB-3m4eA:
undetectable		 2izqA-3m4eA:
4.10
2izqB-3m4eA:
4.10
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.
2QO5_A_CHDA131_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		 3m4e ALPHA-HEMOLYSIN
(Staphylococcus
aureus) 		5 / 12 ILE A 245
THR A 243
LEU A  90
THR A 230
LEU A  52
 None
 1.16A 2qo5A-3m4eA:
1.1		 2qo5A-3m4eA:
18.28
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.
3L8L_B_DVAB8_0
(GRAMICIDIN D)		 3m4e ALPHA-HEMOLYSIN
(Staphylococcus
aureus) 		3 / 3 VAL A  86
VAL A 169
TRP A 167
 None
 0.81A 3l8lA-3m4eA:
undetectable
3l8lB-3m4eA:
undetectable		 3l8lA-3m4eA:
4.10
3l8lB-3m4eA:
4.85
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.
5HFJ_G_SAMG301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 3m4e ALPHA-HEMOLYSIN
(Staphylococcus
aureus) 		5 / 12 ALA A 216
ASP A 254
PRO A  81
GLN A 257
THR A 268
 None
 1.18A 5hfjG-3m4eA:
undetectable		 5hfjG-3m4eA:
23.99
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.
5Y80_A_IREA402_0
(CYCLIN-G-ASSOCIATED
KINASE)		 3m4e ALPHA-HEMOLYSIN
(Staphylococcus
aureus) 		5 / 11 ASP A 285
ILE A 245
ASN A 244
THR A 243
ILE A  55
 None
 1.25A 5y80A-3m4eA:
undetectable		 5y80A-3m4eA:
17.55
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.
5Y80_A_IREA402_0
(CYCLIN-G-ASSOCIATED
KINASE)		 3m4e ALPHA-HEMOLYSIN
(Staphylococcus
aureus) 		5 / 11 ASP A 285
VAL A 247
ILE A 245
THR A 243
ILE A  55
 None
 1.17A 5y80A-3m4eA:
undetectable		 5y80A-3m4eA:
17.55