SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4pe3'

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.
2AOI_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 4pe3 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodobacter
sphaeroides) 		4 / 5 ASP A 231
GLY A 197
PRO A 210
VAL A 192
 ZN  A 405 (-2.3A)
None
None
None
 1.00A 2aoiA-4pe3A:
undetectable		 2aoiA-4pe3A:
14.33
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.
2REZ_A_ACTA156_0
(MULTIFUNCTIONAL
CYCLASE-DEHYDRATASE-
3-O-METHYL
TRANSFERASE TCMN)		 4pe3 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodobacter
sphaeroides) 		4 / 7 GLU A 262
THR A 112
ARG A 120
LEU A 162
 ACT  A 404 (-2.8A)
None
ACT  A 404 ( 3.8A)
ACT  A 404 (-4.9A)
 1.11A 2rezA-4pe3A:
1.1		 2rezA-4pe3A:
20.18
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.
2ROX_A_T44A128_1
(TRANSTHYRETIN)		 4pe3 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodobacter
sphaeroides) 		4 / 4 LYS A 280
LEU A 277
ALA A 279
LEU A 273
 None
 1.30A 2roxA-4pe3A:
undetectable		 2roxA-4pe3A:
17.25
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.
3V5W_A_8PRA701_2
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		 4pe3 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodobacter
sphaeroides) 		3 / 3 LEU A 162
MET A 153
ASP A 121
 ACT  A 404 (-4.9A)
None
None
 0.88A 3v5wA-4pe3A:
undetectable		 3v5wA-4pe3A:
19.53
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.
4MME_A_29QA603_1
(TRANSPORTER)		 4pe3 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodobacter
sphaeroides) 		5 / 9 ALA A 330
GLY A 254
PHE A 255
SER A 257
GLY A 132
 None
None
None
ZN  A 405 ( 4.4A)
None
 1.42A 4mmeA-4pe3A:
undetectable		 4mmeA-4pe3A:
21.57
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.
4URO_C_NOVC2000_1
(DNA GYRASE SUBUNIT B)		 4pe3 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodobacter
sphaeroides) 		5 / 12 GLU A 262
ILE A 102
PRO A  99
ALA A 101
ILE A 107
 ACT  A 404 (-2.8A)
None
ACT  A 404 (-4.0A)
None
None
 1.28A 4uroC-4pe3A:
undetectable		 4uroC-4pe3A:
21.97
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.
4W5N_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 4pe3 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodobacter
sphaeroides) 		4 / 6 ILE A 127
LYS A 346
LEU A 156
GLU A 155
 None
 0.90A 4w5nA-4pe3A:
undetectable		 4w5nA-4pe3A:
17.15
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.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)		 4pe3 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodobacter
sphaeroides) 		5 / 12 LEU A 260
GLY A 166
GLU A 145
VAL A 144
PHE A 288
 None
 1.23A 5f9zA-4pe3A:
undetectable		 5f9zA-4pe3A:
22.31
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.
5KIR_A_RCXA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4pe3 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodobacter
sphaeroides) 		5 / 12 GLN A 139
LEU A 355
TRP A 334
ALA A 135
GLY A 328
 None
 1.09A 5kirA-4pe3A:
undetectable		 5kirA-4pe3A:
19.43
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.
5XXI_A_LSNA501_1
(CYTOCHROME P450 2C9)		 4pe3 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodobacter
sphaeroides) 		6 / 12 ALA A 133
VAL A 347
ASN A 129
GLY A 125
ALA A 123
LEU A 152
 None
 1.33A 5xxiA-4pe3A:
undetectable		 5xxiA-4pe3A:
18.34
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.
6GNR_A_6J3A201_0
(TRANSTHYRETIN)		 4pe3 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodobacter
sphaeroides) 		4 / 4 LYS A 280
LEU A 277
ALA A 279
LEU A 273
 None
 1.46A 6gnrA-4pe3A:
undetectable		 6gnrA-4pe3A:
17.56
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.
6GNR_B_6J3B201_0
(TRANSTHYRETIN)		 4pe3 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodobacter
sphaeroides) 		4 / 4 LYS A 280
LEU A 277
ALA A 279
LEU A 273
 None
 1.48A 6gnrB-4pe3A:
undetectable		 6gnrB-4pe3A:
17.56
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.
6HCX_A_ZMRA519_1
(NEURAMINIDASE)		 4pe3 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodobacter
sphaeroides) 		3 / 3 TRP A 270
ILE A 281
GLU A 276
 None
 0.77A 6hcxA-4pe3A:
undetectable		 6hcxA-4pe3A:
13.04