SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CER'


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.
2AVS_B_MK1B902_1
(POL POLYPROTEIN)		 1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)
(Escherichia
coli) 		5 / 12 ASP A 233
GLY A 232
ILE A 108
GLY A 198
VAL A 199
 None
None
CER  A 413 (-3.3A)
CER  A 413 (-3.4A)
None
 0.84A 2avsA-1b3nA:
undetectable		 2avsA-1b3nA:
14.01
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.
2B7Z_B_MK1B200_1
(HIV-1 PROTEASE)		 1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)
(Escherichia
coli) 		5 / 12 ASP A 233
GLY A 232
ILE A 108
GLY A 198
ALA A  72
 None
None
CER  A 413 (-3.3A)
CER  A 413 (-3.4A)
None
 1.10A 2b7zA-1b3nA:
undetectable		 2b7zA-1b3nA:
14.25
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.
2XFF_A_QPSA600_1
(BETA-AMYLASE)		 3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA
(Saccharomyces
cerevisiae) 		5 / 12 ALA A1382
PHE A1343
SER A1249
GLY A1250
THR A1307
 None
CER  A2748 (-4.5A)
None
CER  A2748 ( 4.6A)
None
 1.19A 2xffA-3hmjA:
undetectable		 2xffA-3hmjA:
14.09
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.
3DLC_A_SAMA220_0
(PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE)		 2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4
(Saccharopolyspor
a
erythraea) 		5 / 12 PHE A 265
GLY A 376
GLY A  94
HIS A 337
SER A 253
 None
None
None
CER  A 960 ( 4.2A)
None
 1.37A 3dlcA-2qo3A:
undetectable		 3dlcA-2qo3A:
11.75
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.
3KO0_C_TFPC202_1
(PROTEIN S100-A4)		 1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)
(Escherichia
coli) 		5 / 11 ASP A  71
SER A 106
PHE A  56
GLU A 191
ASP A 233
 None
None
None
CER  A 413 (-3.7A)
None
 1.42A 3ko0A-1b3nA:
undetectable
3ko0B-1b3nA:
undetectable
3ko0C-1b3nA:
undetectable
3ko0D-1b3nA:
undetectable		 3ko0A-1b3nA:
12.50
3ko0B-1b3nA:
12.50
3ko0C-1b3nA:
12.50
3ko0D-1b3nA:
12.50
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.
3KO0_D_TFPD202_1
(PROTEIN S100-A4)		 1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)
(Escherichia
coli) 		5 / 11 GLU A 191
ASP A 233
SER A 106
PHE A  56
ASP A  71
 CER  A 413 (-3.7A)
None
None
None
None
 1.43A 3ko0C-1b3nA:
undetectable
3ko0D-1b3nA:
undetectable
3ko0E-1b3nA:
undetectable
3ko0F-1b3nA:
undetectable		 3ko0C-1b3nA:
12.50
3ko0D-1b3nA:
12.50
3ko0E-1b3nA:
12.50
3ko0F-1b3nA:
12.50
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.
3KO0_D_TFPD202_1
(PROTEIN S100-A4)		 1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)
(Escherichia
coli) 		5 / 11 GLU A 191
LEU A 342
SER A 106
PHE A  56
ASP A  71
 CER  A 413 (-3.7A)
CER  A 413 (-4.2A)
None
None
None
 1.50A 3ko0C-1b3nA:
undetectable
3ko0D-1b3nA:
undetectable
3ko0E-1b3nA:
undetectable
3ko0F-1b3nA:
undetectable		 3ko0C-1b3nA:
12.50
3ko0D-1b3nA:
12.50
3ko0E-1b3nA:
12.50
3ko0F-1b3nA:
12.50
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.
3KO0_G_TFPG202_1
(PROTEIN S100-A4)		 1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)
(Escherichia
coli) 		5 / 10 ASP A  71
SER A 106
PHE A  56
GLU A 191
ASP A 233
 None
None
None
CER  A 413 (-3.7A)
None
 1.48A 3ko0E-1b3nA:
undetectable
3ko0F-1b3nA:
undetectable
3ko0G-1b3nA:
undetectable
3ko0H-1b3nA:
undetectable		 3ko0E-1b3nA:
12.50
3ko0F-1b3nA:
12.50
3ko0G-1b3nA:
12.50
3ko0H-1b3nA:
12.50
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.
3KO0_O_TFPO202_1
(PROTEIN S100-A4)		 1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)
(Escherichia
coli) 		5 / 11 SER A 106
PHE A  56
GLU A 191
ASP A 233
ASP A  71
 None
None
CER  A 413 (-3.7A)
None
None
 1.44A 3ko0O-1b3nA:
undetectable
3ko0P-1b3nA:
undetectable
3ko0Q-1b3nA:
0.0
3ko0R-1b3nA:
0.1		 3ko0O-1b3nA:
12.50
3ko0P-1b3nA:
12.50
3ko0Q-1b3nA:
12.50
3ko0R-1b3nA:
12.50
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.
3KO0_Q_TFPQ202_1
(PROTEIN S100-A4)		 1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)
(Escherichia
coli) 		5 / 10 ASP A  71
SER A 106
PHE A  56
GLU A 191
ASP A 233
 None
None
None
CER  A 413 (-3.7A)
None
 1.42A 3ko0O-1b3nA:
undetectable
3ko0P-1b3nA:
undetectable
3ko0Q-1b3nA:
0.0
3ko0R-1b3nA:
0.1		 3ko0O-1b3nA:
12.50
3ko0P-1b3nA:
12.50
3ko0Q-1b3nA:
12.50
3ko0R-1b3nA:
12.50
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.
3V4T_D_ACTD502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)
(Escherichia
coli) 		3 / 3 GLY A 399
THR A 164
ASN A 404
 CER  A 413 (-3.2A)
None
None
 0.73A 3v4tD-1b3nA:
0.0		 3v4tD-1b3nA:
25.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		 1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)
(Escherichia
coli) 		11 / 12 GLY A 107
ALA A 162
CYH A 163
GLU A 191
PHE A 202
HIS A 303
THR A 305
HIS A 340
LEU A 342
GLY A 399
PHE A 400
 CER  A 413 ( 3.8A)
CER  A 413 (-3.1A)
CER  A 413 ( 1.8A)
CER  A 413 (-3.7A)
CER  A 413 (-4.5A)
CER  A 413 (-4.0A)
CER  A 413 ( 4.8A)
CER  A 413 (-4.2A)
CER  A 413 (-4.2A)
CER  A 413 (-3.2A)
CER  A 413 (-3.3A)
 0.32A 4ls7A-1b3nA:
69.6		 4ls7A-1b3nA:
52.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		 1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)
(Escherichia
coli) 		7 / 12 GLY A 343
ALA A 162
GLU A 191
PHE A 202
LEU A 342
GLY A 399
PHE A 400
 None
CER  A 413 (-3.1A)
CER  A 413 (-3.7A)
CER  A 413 (-4.5A)
CER  A 413 (-4.2A)
CER  A 413 (-3.2A)
CER  A 413 (-3.3A)
 1.49A 4ls7A-1b3nA:
69.6		 4ls7A-1b3nA:
52.72
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		 2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4
(Saccharopolyspor
a
erythraea) 		7 / 12 ALA A 201
CYH A 202
PHE A 241
HIS A 337
THR A 339
HIS A 377
GLY A 443
 None
CER  A 960 ( 1.7A)
None
CER  A 960 ( 4.2A)
CER  A 960 ( 4.2A)
CER  A 960 ( 3.8A)
CER  A 960 ( 4.2A)
 0.86A 4ls7A-2qo3A:
40.1		 4ls7A-2qo3A:
18.74
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		 3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA
(Saccharomyces
cerevisiae) 		9 / 12 GLY A1250
ALA A1304
CYH A1305
PHE A1343
HIS A1542
THR A1544
HIS A1583
GLY A1645
PHE A1646
 CER  A2748 ( 4.6A)
CER  A2748 (-3.5A)
CER  A2748 (-1.8A)
CER  A2748 (-4.5A)
CER  A2748 (-4.6A)
CER  A2748 ( 4.2A)
CER  A2748 (-4.4A)
CER  A2748 ( 3.7A)
CER  A2748 (-3.3A)
 0.36A 4ls7A-3hmjA:
40.4		 4ls7A-3hmjA:
12.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		 1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)
(Escherichia
coli) 		10 / 12 ILE A 108
ALA A 162
CYH A 163
PHE A 202
HIS A 303
THR A 305
HIS A 340
LEU A 342
GLY A 399
PHE A 400
 CER  A 413 (-3.3A)
CER  A 413 (-3.1A)
CER  A 413 ( 1.8A)
CER  A 413 (-4.5A)
CER  A 413 (-4.0A)
CER  A 413 ( 4.8A)
CER  A 413 (-4.2A)
CER  A 413 (-4.2A)
CER  A 413 (-3.2A)
CER  A 413 (-3.3A)
 0.39A 4ls7A-1b3nA:
69.6
4ls7B-1b3nA:
69.4		 4ls7A-1b3nA:
52.72
4ls7B-1b3nA:
52.72
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		 2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4
(Saccharopolyspor
a
erythraea) 		7 / 12 ALA A 201
CYH A 202
PHE A 241
HIS A 337
THR A 339
HIS A 377
GLY A 443
 None
CER  A 960 ( 1.7A)
None
CER  A 960 ( 4.2A)
CER  A 960 ( 4.2A)
CER  A 960 ( 3.8A)
CER  A 960 ( 4.2A)
 0.87A 4ls7A-2qo3A:
40.1
4ls7B-2qo3A:
39.9		 4ls7A-2qo3A:
18.74
4ls7B-2qo3A:
18.74
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		 3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA
(Saccharomyces
cerevisiae) 		8 / 12 ALA A1304
CYH A1305
PHE A1343
HIS A1542
THR A1544
HIS A1583
GLY A1645
PHE A1646
 CER  A2748 (-3.5A)
CER  A2748 (-1.8A)
CER  A2748 (-4.5A)
CER  A2748 (-4.6A)
CER  A2748 ( 4.2A)
CER  A2748 (-4.4A)
CER  A2748 ( 3.7A)
CER  A2748 (-3.3A)
 0.32A 4ls7A-3hmjA:
40.4
4ls7B-3hmjA:
40.3		 4ls7A-3hmjA:
12.38
4ls7B-3hmjA:
12.38
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.
4NKX_B_STRB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)
(Escherichia
coli) 		5 / 12 LEU A 231
ALA A 207
PHE A 229
ILE A 108
GLY A 201
 None
None
None
CER  A 413 (-3.3A)
None
 0.94A 4nkxB-1b3nA:
undetectable		 4nkxB-1b3nA:
22.01
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.
4QVQ_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)
(Escherichia
coli) 		5 / 9 ALA A 190
ALA A 235
ILE A 108
GLY A 110
ASP A 233
 None
None
CER  A 413 (-3.3A)
None
None
 1.12A 4qvqK-1b3nA:
undetectable
4qvqL-1b3nA:
undetectable		 4qvqK-1b3nA:
19.62
4qvqL-1b3nA:
19.90
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.
4QVQ_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)
(Escherichia
coli) 		5 / 9 ALA A 190
ALA A 235
ILE A 108
GLY A 110
ASP A 233
 None
None
CER  A 413 (-3.3A)
None
None
 1.12A 4qvqY-1b3nA:
undetectable
4qvqZ-1b3nA:
undetectable		 4qvqY-1b3nA:
19.62
4qvqZ-1b3nA:
19.90