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PDBsum entry 1jrs
Go to PDB code:
Ligand/metal interactions
PDB id
1jrs
Ligand highlighted
ACE-LEU-LEU-AR7
Ligands
ACE-LEU-LEU-AR7
ACE 1A(B) to AR7 3(B)
Metals
_CA
CA 901(A)
Ligand
ACE-LEU-LEU-AR7
ACE
-
Acetyl group
Formula:
C
2
H
4
O
AR7
-
Amino{[(4s)-4-Amino-5,5- Dihydroxypentyl]amino}methaniminium
Formula:
C
6
H
17
N
4
O
2
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(B)
3
-
-
-
Residue too small to validate
LEU 1(B)
9
9
1
1
Complete
Chiral checks - OK
LEU 2(B)
9
9
1
1
Complete
Chiral checks - OK
AR7 3(B)
12
12
1
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
ACE 1(B)
-
0
LEU 1(B)
-
0
LEU 2(B)
O: OXT
1
AR7 3(B)
-
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 ACE-LEU-LEU-AR7
List of
interactions
ACE 1A(B) to AR7 3(B)
_CA
