SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3roh'

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.
1MCL_P_DHIP1_0
(IMMUNOGLOBULIN
LAMBDA DIMER MCG
(LIGHT CHAIN)
N-ACETYL-D-HIS-L-PRO
-OH)		 3roh LEUCOTOXIN LUKEV
(Staphylococcus
aureus) 		4 / 5 TYR A 269
GLU A 281
PHE A 273
TYR A  96
 None
None
None
PGE  A 312 (-4.2A)
 1.02A 1mclA-3rohA:
1.8
1mclB-3rohA:
2.1
1mclP-3rohA:
undetectable		 1mclA-3rohA:
20.48
1mclB-3rohA:
20.48
1mclP-3rohA:
0.30
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.
2DCF_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 3roh LEUCOTOXIN LUKEV
(Staphylococcus
aureus) 		4 / 6 ALA A  73
TYR A 141
TYR A  69
ILE A 122
 None
 1.19A 2dcfA-3rohA:
undetectable		 2dcfA-3rohA:
19.51
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.
2ZM7_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 3roh LEUCOTOXIN LUKEV
(Staphylococcus
aureus) 		4 / 7 ALA A  73
TYR A 141
TYR A  69
ILE A 122
 None
 1.18A 2zm7A-3rohA:
undetectable		 2zm7A-3rohA:
19.26
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.
3DZY_D_BRLD478_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3roh LEUCOTOXIN LUKEV
(Staphylococcus
aureus) 		4 / 4 ILE A 165
GLN A 169
ILE A 153
LEU A 232
 None
 1.15A 3dzyD-3rohA:
undetectable		 3dzyD-3rohA:
22.65
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		 3roh LEUCOTOXIN LUKEV
(Staphylococcus
aureus) 		3 / 3 PRO A 212
PHE A 223
ALA A 270
 None
 0.68A 3itaD-3rohA:
undetectable		 3itaD-3rohA:
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.
3VRI_A_1KXA301_1
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN
10-MER PEPTIDE)		 3roh LEUCOTOXIN LUKEV
(Staphylococcus
aureus) 		5 / 10 TYR A 108
VAL A 188
TYR A 172
SER A 174
ILE A 130
 None
 1.07A 3vriA-3rohA:
2.1
3vriC-3rohA:
undetectable		 3vriA-3rohA:
21.94
3vriC-3rohA:
3.32
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.
3VRJ_A_1KXA301_1
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN
10-MER PEPTIDE)		 3roh LEUCOTOXIN LUKEV
(Staphylococcus
aureus) 		5 / 12 TYR A 108
VAL A 188
TYR A 172
SER A 174
ILE A 130
 None
 1.10A 3vrjA-3rohA:
undetectable
3vrjC-3rohA:
undetectable		 3vrjA-3rohA:
21.94
3vrjC-3rohA:
28.12
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.
4LUF_A_ACTA605_0
(SERUM ALBUMIN)		 3roh LEUCOTOXIN LUKEV
(Staphylococcus
aureus) 		4 / 4 ALA A 190
HIS A 203
PHE A 106
LEU A 207
 None
 1.29A 4lufA-3rohA:
undetectable		 4lufA-3rohA:
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.
4LUH_A_ACTA609_0
(SERUM ALBUMIN)		 3roh LEUCOTOXIN LUKEV
(Staphylococcus
aureus) 		4 / 4 ALA A 190
HIS A 203
PHE A 106
LEU A 207
 None
 1.32A 4luhA-3rohA:
undetectable		 4luhA-3rohA:
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.
4XP1_A_LDPA708_1
(DOPAMINE
TRANSPORTER, ISOFORM
B)		 3roh LEUCOTOXIN LUKEV
(Staphylococcus
aureus) 		5 / 10 ASP A  62
TYR A 161
PHE A 147
SER A 162
GLY A 140
 None
 1.24A 4xp1A-3rohA:
undetectable		 4xp1A-3rohA:
21.78
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.
5ACL_A_SASA1111_1
(MCG)		 3roh LEUCOTOXIN LUKEV
(Staphylococcus
aureus) 		4 / 7 TYR A 279
TYR A 269
GLU A 281
PHE A 273
 None
 1.13A 5aclA-3rohA:
undetectable		 5aclA-3rohA:
18.04
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 3roh LEUCOTOXIN LUKEV
(Staphylococcus
aureus) 		4 / 6 LEU A  74
VAL A  76
LEU A 112
VAL A  59
 None
 0.87A 5x7zA-3rohA:
undetectable		 5x7zA-3rohA:
19.88