SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MA4'


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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		7 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 244
 EPE  A 400 (-3.7A)
None
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 0.66A 1ghmA-1n9bA:
32.4		 1ghmA-1n9bA:
29.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 5 TYR A 105
LEU A 169
THR A 235
ARG A 244
 EPE  A 400 (-3.6A)
None
EPE  A 400 (-3.8A)
MA4  A 310 ( 3.8A)
 0.39A 1i2wA-1n9bA:
34.6		 1i2wA-1n9bA:
36.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
None
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.66A 1i2wB-1n9bA:
34.8		 1i2wB-1n9bA:
36.39
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 244
 EPE  A 400 (-3.7A)
None
None
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 1.15A 3mzeA-1n9bA:
21.6		 3mzeA-1n9bA:
22.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		9 / 12 SER A  70
TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.68A 3sh8A-1n9bA:
33.3		 3sh8A-1n9bA:
37.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		7 / 12 SER A  70
LYS A  73
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.62A 3sh8B-1n9bA:
33.2		 3sh8B-1n9bA:
37.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		7 / 12 SER A  70
SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.70A 3sh8B-1n9bA:
33.2		 3sh8B-1n9bA:
37.41
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.
4ACB_B_DXCB1473_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 8 ILE A 282
GLY A 283
SER A 271
GLN A 277
 None
MA4  A 300 ( 3.9A)
None
None
 0.88A 4acbB-1n9bA:
undetectable
4acbC-1n9bA:
undetectable		 4acbB-1n9bA:
20.78
4acbC-1n9bA:
20.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		9 / 10 TYR A 105
SER A 130
ASN A 132
VAL A 216
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-4.6A)
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.41A 4fh2A-1n9bA:
48.4		 4fh2A-1n9bA:
99.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		10 / 12 SER A  70
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.70A 4n9kA-1n9bA:
34.9		 4n9kA-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		9 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.69A 4n9kB-1n9bA:
34.8		 4n9kB-1n9bA:
37.86
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.
4OQR_A_2UOA502_1
(CYP105AS1)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		5 / 9 PRO A 183
VAL A  44
ILE A 260
VAL A 247
ALA A 248
 None
None
None
None
MA4  A 300 (-3.4A)
 1.16A 4oqrA-1n9bA:
undetectable		 4oqrA-1n9bA:
21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.75A 5ghyA-1n9bA:
34.6		 5ghyA-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
TYR A 105
ASN A 132
ASN A 170
GLY A 236
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
None
None
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 1.40A 5ghyA-1n9bA:
34.6		 5ghyA-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.72A 5ghyB-1n9bA:
34.8		 5ghyB-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
TYR A 105
ASN A 132
ASN A 170
GLY A 236
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
None
None
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 1.34A 5ghyB-1n9bA:
34.8		 5ghyB-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		10 / 11 SER A  70
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.69A 5ghzA-1n9bA:
34.9		 5ghzA-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		9 / 10 SER A  70
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 0.72A 5ghzB-1n9bA:
34.8		 5ghzB-1n9bA:
37.86
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.
5KGP_A_GCSA407_1
(PREDICTED
ACETYLTRANSFERASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 8 ARG A 259
GLU A  48
PRO A  29
GLY A 283
 None
None
None
MA4  A 300 ( 3.9A)
 1.08A 5kgpA-1n9bA:
undetectable		 5kgpA-1n9bA:
20.06
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.
5KGP_B_GCSB405_1
(PREDICTED
ACETYLTRANSFERASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 8 ARG A 259
GLU A  48
PRO A  29
GLY A 283
 None
None
None
MA4  A 300 ( 3.9A)
 1.11A 5kgpB-1n9bA:
undetectable		 5kgpB-1n9bA:
20.06
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.
5YCP_A_BRLA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		3 / 3 GLY A 283
VAL A  44
MET A  46
 MA4  A 300 ( 3.9A)
None
None
 0.65A 5ycpA-1n9bA:
0.0		 5ycpA-1n9bA:
15.47