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PDBsum entry 2ql5
Go to PDB code:
Ligand/metal interactions
PDB id
2ql5
2 instances of ligand highlighted
ACE-ASP-MET-GLN-
ASJ
Ligands
ACE-ASP-MET-GLN-
ASJ
×2
ACE 701(E) to ASJ 705(E)
ACE 801(F) to ASJ 805(F)
GLN-GLY-HIS-GLY-
GLU
GLN 810(G) to GLU 814(G)
CIT
CIT 850(D)
Ligand
ACE-ASP-MET-GLN-ASJ
ACE
-
Acetyl group
Formula:
C
2
H
4
O
ASJ
-
(3s)-3-Amino-4-Hydroxybutanoic acid
Formula:
C
4
H
9
NO
3
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
ACE 801(F)
3
-
-
-
Residue too small to validate
ASP 802(F)
9
9
1
1
Complete
Chiral checks - OK
MET 803(F)
9
9
1
1
Complete
Chiral checks - OK
GLN 804(F)
10
10
1
1
Complete
Chiral checks - OK
ASJ 805(F)
8
8
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
ACE 801(F)
-
0
ASP 802(F)
-
0
MET 803(F)
O: OXT
1
GLN 804(F)
O: OXT
1
ASJ 805(F)
OD2: OD1
|
OD1: OD2
2
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-ASP-MET-GLN-ASJ
List of
interactions
ACE 801(F) to ASJ 805(F)
