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PDBsum entry 1mcs
Go to PDB code:
Ligand/metal interactions
PDB id
1mcs
Ligand highlighted
ACE-GLN-DPN-HIS-
DPR
Ligands
ACE-GLN-DPN-HIS-
DPR
ACE 0(P) to DPR 4(P)
Ligand
ACE-GLN-DPN-HIS-DPR
ACE
-
Acetyl group
Formula:
C
2
H
4
O
DPN
-
D-Phenylalanine
Formula:
C
9
H
11
NO
2
DPR
-
D-Proline
Formula:
C
5
H
9
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
ACE 0(P)
3
-
-
-
Residue too small to validate
GLN 1(P)
10
10
1
1
Complete
Chiral checks - OK
DPN 2(P)
12
12
1
1
Complete
Chiral checks - OK
HIS 3(P)
11
11
1
1
Complete
Chiral checks - OK
DPR 4(P)
8
8
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
ACE 0(P)
-
0
GLN 1(P)
-
0
DPN 2(P)
O: OXT
1
HIS 3(P)
-
0
DPR 4(P)
OXT: O
|
O: OXT
2
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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LIGPLOT
of interactions involving ligand ACE-GLN-DPN-HIS-DPR
List of
interactions
ACE 0(P) to DPR 4(P)
