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PDBsum entry 1nlp
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Ligand/metal interactions
PDB id
1nlp
Ligand highlighted
ACE-MN8-MN1-PRO-
LEU-PRO-PRO-LEU-
PRO-NH2
Ligands
ACE-MN8-MN1-PRO-
LEU-PRO-PRO-LEU-
PRO-NH2
ACE 72(N) to NH2 81(N)
Ligand
ACE-MN8-MN1-PRO-LEU-PRO-PRO-LEU-PRO-NH2
ACE
-
Acetyl group
Formula:
C
2
H
4
O
MN8
-
2-(4-Carcoxy-5-Isopropylthiazolyl)benzopiperidine
Formula:
C
16
H
18
N
2
O
2
S
MN1
-
4-Carboxypiperidine
Formula:
C
6
H
11
NO
2
NH2
-
Amino group
Formula:
H
2
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 72(N)
3
-
-
-
Residue too small to validate
MN8 73(N)
21
21
1
1
Complete
Chiral checks - OK
MN1 74(N)
9
9
1
1
Complete
Chiral checks - OK
PRO 75(N)
8
8
1
1
Complete
Chiral checks - OK
LEU 76(N)
9
9
1
1
Complete
Chiral checks - OK
PRO 77(N)
8
8
1
1
Complete
Chiral checks - OK
PRO 78(N)
8
8
1
1
Complete
Chiral checks - OK
LEU 79(N)
9
9
1
1
Complete
Chiral checks - OK
PRO 80(N)
8
8
1
1
Complete
Chiral checks - OK
NH2 81(N)
1
-
-
-
Residue too small to validate
Advanced Analysis
Residue
Name Mismatches
Count
ACE 72(N)
-
0
MN8 73(N)
-
0
MN1 74(N)
-
0
PRO 75(N)
-
0
LEU 76(N)
O: OXT
1
PRO 77(N)
-
0
PRO 78(N)
-
0
LEU 79(N)
O: OXT
1
PRO 80(N)
-
0
NH2 81(N)
-
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-MN8-MN1-PRO-LEU-PRO-PRO-LEU-PRO-NH2
List of
interactions
ACE 72(N) to NH2 81(N)
