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PDBsum entry 6x8h
Go to PDB code:
Ligand/metal interactions
PDB id
6x8h
Ligand highlighted
ACE-1MH-ASP-B3L-
PHE-Y1Y
Ligands
ACE-1MH-ASP-B3L-
PHE-Y1Y
ACE 501(C) to Y1Y 506(C)
Ligand
ACE-1MH-ASP-B3L-PHE-Y1Y
ACE
-
Acetyl group
Formula:
C
2
H
4
O
1MH
-
3-Pyridin-3-Yl-L-Alanine
Formula:
C
8
H
10
N
2
O
2
B3L
-
(3s)-3-Amino-5-Methylhexanoic acid [(S)-Beta-3-Homoleucine]
Formula:
C
7
H
15
NO
2
Y1Y
-
3-Amino-2,3-Dideoxy-5-O-(5-Methylthiophene-2-Carbonyl)- D-Erythro-Pentonic acid
Formula:
C
11
H
15
NO
5
S
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
ACE 501(C)
3
-
-
-
Residue too small to validate
1MH 502(C)
12
12
1
1
Complete
Chiral checks - OK
ASP 503(C)
9
9
1
1
Complete
Chiral checks - OK
B3L 504(C)
10
10
1
1
Complete
Chiral checks - OK
PHE 505(C)
12
12
1
1
Complete
Chiral checks - OK
Y1Y 506(C)
18
18
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
ACE 501(C)
-
0
1MH 502(C)
O: O1
1
ASP 503(C)
-
0
B3L 504(C)
-
0
PHE 505(C)
O: OXT
1
Y1Y 506(C)
-
0
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-1MH-ASP-B3L-PHE-Y1Y
List of
interactions
ACE 501(C) to Y1Y 506(C)
