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PDBsum entry 2c1e
Go to PDB code:
Ligand/metal interactions
PDB id
2c1e
Ligand highlighted
PHQ-ASP-GLU-VAL-
AA1
Ligands
PHQ-ASP-GLU-VAL-
AA1
PHQ 1(C) to AA1 5(C)
Ligand
PHQ-ASP-GLU-VAL-AA1
PHQ
-
Benzyl chlorocarbonate
Formula:
C
8
H
7
ClO
2
AA1
-
[1-(4-Ethoxy-4-Oxobutanoyl)hydrazino]acetic acid
Formula:
C
8
H
14
N
2
O
5
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
PHQ 1(C)
11
11
1
1
Complete
Chiral checks - OK
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
AA1 5(C)
15
15
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
PHQ 1(C)
-
0
ASP 2(C)
O: OXT
1
GLU 3(C)
-
0
VAL 4(C)
-
0
AA1 5(C)
-
0
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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3D Viewers:
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of interactions involving ligand PHQ-ASP-GLU-VAL-AA1
List of
interactions
PHQ 1(C) to AA1 5(C)
