SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ita'

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.
1DF7_A_MTXA501_2
(DIHYDROFOLATE
REDUCTASE)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		3 / 3 TRP A 254
ARG A 244
THR A 253
 None
AIX  A 500 (-3.0A)
None
 0.95A 1df7A-3itaA:
undetectable		 1df7A-3itaA:
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.
1DVT_A_FLPA125_1
(TRANSTHYRETIN)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		4 / 8 ALA A 238
LEU A 236
LEU A  27
LEU A  18
 None
 0.98A 1dvtA-3itaA:
undetectable
1dvtB-3itaA:
undetectable		 1dvtA-3itaA:
17.12
1dvtB-3itaA:
17.12
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		5 / 12 LEU A 197
LEU A 220
SER A 233
ALA A 238
ALA A  13
 None
 1.21A 1n5xA-3itaA:
undetectable		 1n5xA-3itaA:
14.88
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		5 / 12 LEU A 197
LEU A 220
SER A 233
ALA A 238
ALA A  13
 None
 1.21A 1n5xB-3itaA:
undetectable		 1n5xB-3itaA:
14.88
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.
1V8B_C_ADNC2502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		3 / 3 GLU A 260
THR A 261
LEU A  27
 None
 0.68A 1v8bC-3itaA:
undetectable		 1v8bC-3itaA:
22.20
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.
2PNJ_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		5 / 7 ILE A 232
ARG A 230
PRO A   9
GLY A 255
TRP A 254
 None
 1.23A 2pnjB-3itaA:
undetectable		 2pnjB-3itaA:
23.43
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.
2W3A_B_TOPB1189_1
(DIHYDROFOLATE
REDUCTASE)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		5 / 10 ILE A 265
ALA A 291
PHE A 330
ILE A 296
LEU A 304
 None
 1.19A 2w3aB-3itaA:
undetectable		 2w3aB-3itaA:
21.51
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.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		5 / 12 ILE A 103
GLU A 181
GLU A 174
SER A  94
LEU A  54
 None
 1.16A 3eigA-3itaA:
undetectable		 3eigA-3itaA:
20.17
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.
3HCP_B_CHDB1_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		5 / 10 ILE A 232
ARG A 230
PRO A   9
GLY A 255
TRP A 254
 None
 1.30A 3hcpB-3itaA:
undetectable		 3hcpB-3itaA:
22.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		7 / 12 ALA A  39
SER A  40
LYS A  43
GLY A  81
ASN A 108
LEU A 149
GLY A 211
 AIX  A 500 (-3.6A)
AIX  A 500 (-1.4A)
None
None
None
None
AIX  A 500 (-3.4A)
 0.82A 3mzeA-3itaA:
47.1		 3mzeA-3itaA:
63.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		7 / 12 SER A  40
LYS A  43
ASN A 108
LEU A 149
THR A 210
GLY A 211
ARG A 244
 AIX  A 500 (-1.4A)
None
None
None
AIX  A 500 (-4.2A)
AIX  A 500 (-3.4A)
AIX  A 500 (-3.0A)
 0.75A 3mzeA-3itaA:
47.1		 3mzeA-3itaA:
63.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		7 / 12 SER A  40
LYS A  43
GLY A  81
ASN A 108
LEU A 149
THR A 210
GLY A 211
 AIX  A 500 (-1.4A)
None
None
None
None
AIX  A 500 (-4.2A)
AIX  A 500 (-3.4A)
 0.73A 3mzeA-3itaA:
47.1		 3mzeA-3itaA:
63.13
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.
3N62_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		4 / 8 SER A  83
PHE A  86
ASN A 108
ASP A 109
 None
 1.24A 3n62A-3itaA:
undetectable		 3n62A-3itaA:
22.03
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.
3TKA_A_SAMA400_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		5 / 12 THR A 263
GLY A 292
ARG A 340
GLY A 289
SER A  23
 None
 1.20A 3tkaA-3itaA:
undetectable		 3tkaA-3itaA:
22.94
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.
3VW1_D_CVID301_1
(PUTATIVE REGULATORY
PROTEIN)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		3 / 3 TYR A  21
MET A  45
LEU A 136
 None
 0.88A 3vw1D-3itaA:
undetectable		 3vw1D-3itaA:
19.56
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.
4EQ4_B_SALB601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		4 / 8 LEU A 236
THR A 157
VAL A  26
GLY A  30
 None
 0.88A 4eq4B-3itaA:
undetectable		 4eq4B-3itaA:
20.83
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.
4KCN_B_MTLB806_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		4 / 7 SER A  83
PHE A  86
ASN A 108
ASP A 109
 None
 1.35A 4kcnB-3itaA:
undetectable		 4kcnB-3itaA:
22.03
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.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		5 / 12 ILE A  17
ALA A 162
ALA A  15
PHE A 155
ASP A  33
 None
 0.98A 4kicA-3itaA:
undetectable		 4kicA-3itaA:
25.72
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.
4KIC_B_SAMB401_0
(METHYLTRANSFERASE
MPPJ)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		5 / 12 ILE A  17
ALA A 162
ALA A  15
PHE A 155
ASP A  33
 None
 1.00A 4kicB-3itaA:
undetectable		 4kicB-3itaA:
25.72
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.
5SYJ_A_NIZA810_1
(CATALASE-PEROXIDASE)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		4 / 6 ARG A 340
LEU A 304
PRO A 264
SER A 293
 None
 1.47A 5syjA-3itaA:
undetectable		 5syjA-3itaA:
21.64
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.
5SYJ_B_NIZB810_1
(CATALASE-PEROXIDASE)		 3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC
(Escherichia
coli) 		4 / 6 ARG A 340
LEU A 304
PRO A 264
SER A 293
 None
 1.46A 5syjB-3itaA:
undetectable		 5syjB-3itaA:
21.64