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PDBsum entry 2sem
Go to PDB code:
Ligand/metal interactions
PDB id
2sem
Ligand highlighted
ACE-PRO-PRO-PRO-
VAL-IPG-PRO-ARG-
ARG
Ligands
ACE-PRO-PRO-PRO-
VAL-IPG-PRO-ARG
ACE 1(C) to ARG 8(C)
ACE-PRO-PRO-PRO-
VAL-IPG-PRO-ARG-
ARG
ACE 11(D) to ARG 19(D)
Ligand
ACE-PRO-PRO-PRO-VAL-IPG-PRO-ARG-ARG
ACE
-
Acetyl group
Formula:
C
2
H
4
O
IPG
-
N-Isopropyl glycine
Formula:
C
5
H
11
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 11(D)
3
-
-
-
Residue too small to validate
PRO 12(D)
8
8
1
1
Complete
Chiral checks - OK
PRO 13(D)
8
8
1
1
Complete
Chiral checks - OK
PRO 14(D)
8
8
1
1
Complete
Chiral checks - OK
VAL 15(D)
8
8
1
1
Complete
Chiral checks - OK
IPG 16(D)
8
8
1
1
Complete
Chiral checks - OK
PRO 17(D)
8
8
1
1
Complete
Chiral checks - OK
ARG 18(D)
12
12
1
1
Complete
Chiral checks - OK
ARG 19(D)
12
12
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
ACE 11(D)
-
0
PRO 12(D)
-
0
PRO 13(D)
-
0
PRO 14(D)
-
0
VAL 15(D)
-
0
IPG 16(D)
-
0
PRO 17(D)
-
0
ARG 18(D)
O: OXT
1
ARG 19(D)
-
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-PRO-PRO-PRO-VAL-IPG-PRO-ARG-ARG
List of
interactions
ACE 11(D) to ARG 19(D)
