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PDBsum entry 4jr2
Go to PDB code:
Ligand/metal interactions
PDB id
4jr2
2 instances of ligand highlighted
ACE-ASP-GLU-VAL-
ASP-0QE
Ligands
ACE-ASP-GLU-VAL-
ASP-0QE
×2
ACE 1(C) to 0QE 6(C)
Metals
_CL
×2
CL 401(A)
Ligand
ACE-ASP-GLU-VAL-ASP-0QE
ACE
-
Acetyl group
Formula:
C
2
H
4
O
0QE
-
Chloromethane [Chloro methyl group]
Formula:
CH
3
Cl
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(C)
3
-
-
-
Residue too small to validate
ASP 2(C)
9
9
1
1
Complete
Chiral checks - OK
GLU 3(C)
10
10
1
1
Complete
Chiral checks - OK
VAL 4(C)
8
8
1
1
Complete
Chiral checks - OK
ASP 5(C)
9
9
1
1
Complete
Chiral checks - OK
0QE 6(C)
2
-
-
-
Residue too small to validate
Additional Information
Validation carried out using
MotiveValidator
. Nothing to show in
Validator
DB
.
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3D Viewers:
LIGPLOT
of interactions involving ligand ACE-ASP-GLU-VAL-ASP-0QE
List of
interactions
ACE 1(C) to 0QE 6(C)
(also representing equivalent ligand ACE 1(D) to 0QE 6(D) )
_CL
×2
