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PDBsum entry 3fea
Go to PDB code:
Ligand/metal interactions
PDB id
3fea
2 instances of ligand highlighted
ACE-PHE-MET-AIB-
PM3-6CW-GLU-1AC-
LEU-NH2
Ligands
ACE-PHE-MET-AIB-
PM3-6CW-GLU-1AC-
LEU-NH2
×2
ACE 1(L) to NH2 10(L)
ACE 1(M) to NH2 10(M)
MPD
MPD 1(A)
Ligand
ACE-PHE-MET-AIB-PM3-6CW-GLU-1AC-LEU-NH2
ACE
-
Acetyl group
Formula:
C
2
H
4
O
AIB
-
Alpha-Aminoisobutyric acid
Formula:
C
4
H
9
NO
2
PM3
-
2-Amino-3-(4-Phosphonomethyl-Phenyl)-Propionic acid
Formula:
C
10
H
14
NO
5
P
6CW
-
6-Chloro-L-Tryptophan
Formula:
C
11
H
11
ClN
2
O
2
1AC
-
1-Aminocyclopropanecarboxylic acid
Formula:
C
4
H
7
NO
2
NH2
-
Amino group
Formula:
HnN
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
ACE 1(M)
3
-
-
-
Residue too small to validate
PHE 2(M)
12
12
1
1
Complete
Chiral checks - OK
MET 3(M)
9
9
1
1
Complete
Chiral checks - OK
AIB 4(M)
7
7
1
1
Complete
Chiral checks - OK
PM3 5(M)
17
17
1
1
Complete
Chiral checks - OK
6CW 6(M)
16
16
1
1
Complete
Chiral checks - OK
GLU 7(M)
10
10
1
1
Complete
Chiral checks - OK
1AC 8(M)
7
7
1
1
Complete
Chiral checks - OK
LEU 9(M)
9
9
1
1
Complete
Chiral checks - OK
NH2 10(M)
1
-
-
-
Residue too small to validate
Advanced Analysis
Residue
Name Mismatches
Count
ACE 1(M)
-
0
PHE 2(M)
-
0
MET 3(M)
-
0
AIB 4(M)
-
0
PM3 5(M)
O: OXT
1
6CW 6(M)
-
0
GLU 7(M)
O: OXT
1
1AC 8(M)
-
0
LEU 9(M)
-
0
NH2 10(M)
-
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-PHE-MET-AIB-PM3-6CW-GLU-1AC-LEU-NH2
List of
interactions
ACE 1(M) to NH2 10(M)
