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PDBsum entry 4est
Go to PDB code:
Ligand/metal interactions
PDB id
4est
Ligand highlighted
ACE-ALA-PRO-VAI-
FPA-PEA
Ligands
ACE-ALA-PRO-VAI-
FPA-PEA
ACE 1(I) to PEA 6(I)
SO4
SO4 301(E)
Metals
_CA
CA 302(E)
Ligand
ACE-ALA-PRO-VAI-FPA-PEA
ACE
-
Acetyl group
Formula:
C
2
H
4
O
VAI
-
(2s)-2-Amino-3-Methylbutane-1,1-Diol
Formula:
C
5
H
13
NO
2
FPA
-
Bromo(difluoro)acetic acid
Formula:
C
2
HBrF
2
O
2
PEA
-
2-Phenylethylamine
Formula:
C
8
H
12
N
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
ACE 1(I)
3
-
-
-
-
-
-
-
-
-
ALA 2(I)
6
-
-
-
-
-
-
-
-
-
PRO 3(I)
8
8
1
1
0
0
0
0
0
0
VAI 4(I)
8
8
1
0
0
0
0
0
0
0
FPA 5(I)
7
6
3
0
1
0
-
-
-
-
PEA 6(I)
9
9
0
0
0
0
0
0
0
0
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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of interactions involving ligand ACE-ALA-PRO-VAI-FPA-PEA
List of
interactions
ACE 1(I) to PEA 6(I)
_CA
