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PDBsum entry 5cve
Go to PDB code:
Ligand/metal interactions
PDB id
5cve
Ligand highlighted
PBE-PRO-LYS-THR-
SER-GLY-LYS-ALA
Ligands
PBE-PRO-LYS-THR-
SER-GLY-LYS-ALA
PBE 1(D) to ALA 8(D)
PBE-PRO-LYS-THR-
SER-GLY
PBE 1(E) to GLY 6(E)
SAH
×2
SAH 301(A)
Ligand
PBE-PRO-LYS-THR-SER-GLY-LYS-ALA
-
1,1-Dimethyl-Prolinium
[Proline betaine]
Formula:
C
7
H
14
NO
2
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
PBE 1(D)
10
10
1
1
Complete
Chiral checks - OK
PRO 2(D)
8
8
1
1
Complete
Chiral checks - OK
LYS 3(D)
10
10
1
1
Complete
Chiral checks - OK
THR 4(D)
8
8
1
1
Complete
Chiral checks - OK
SER 5(D)
7
7
1
1
Complete
Chiral checks - OK
GLY 6(D)
5
-
-
-
Residue too small to validate
LYS 7(D)
10
10
1
1
Complete
Chiral checks - OK
ALA 8(D)
6
-
-
-
Residue too small to validate
Advanced Analysis
Residue
Name Mismatches
Count
PBE 1(D)
-
0
PRO 2(D)
-
0
LYS 3(D)
-
0
THR 4(D)
O: OXT
1
SER 5(D)
O: OXT
1
GLY 6(D)
-
0
LYS 7(D)
-
0
ALA 8(D)
-
0
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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3D Viewers:
LIGPLOT
of interactions involving ligand PBE-PRO-LYS-THR-SER-GLY-LYS-ALA
List of
interactions
PBE 1(D) to ALA 8(D)
