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PDBsum entry 3ah8
Go to PDB code:
Ligand/metal interactions
PDB id
3ah8
Ligand highlighted
ACE-HL2-HL2-OTH-
THC-HF2-DAM-ALA-
MAA
Ligands
ACE-HL2-HL2-OTH-
THC-HF2-DAM-ALA-
MAA
ACE 1(Y) to MAA 9(Y)
GDP
GDP 1(A)
Ligand
ACE-HL2-HL2-OTH-THC-HF2-DAM-ALA-MAA
ACE
-
Acetyl group
Formula:
C
2
H
4
O
HL2
-
(2s,3r)-2-Amino-3-Hydroxy-4-Methylpentanoic acid [Beta-Hydroxyleucine]
Formula:
C
6
H
13
NO
3
OTH
-
N,O-Dimethyl-L-Threonine
Formula:
C
6
H
13
NO
3
THC
-
N-Methylcarbonylthreonine
Formula:
C
6
H
11
NO
4
HF2
-
(2r)-2-Hydroxy-3-Phenylpropanoic acid
Formula:
C
9
H
10
O
3
DAM
-
N-Methyl-Alpha-Beta-Dehydroalanine
Formula:
C
4
H
7
NO
2
MAA
-
N-Methyl-L-Alanine
Formula:
C
4
H
9
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 1(Y)
3
-
-
-
Residue too small to validate
HL2 2(Y)
10
10
1
0
Complete
Chiral checks - OK
HL2 3(Y)
10
10
1
1
Complete
Chiral checks - OK
OTH 4(Y)
10
10
1
0
Complete
Chiral checks - OK
THC 5(Y)
11
11
1
0
Complete
Chiral checks - OK
HF2 6(Y)
12
12
1
1
Complete
Chiral checks - OK
DAM 7(Y)
7
7
1
1
Complete
Chiral checks - OK
ALA 8(Y)
6
-
-
-
Residue too small to validate
MAA 9(Y)
7
7
2
1
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
ACE 1(Y)
-
0
HL2 2(Y)
O: OXT
1
HL2 3(Y)
-
0
OTH 4(Y)
-
0
THC 5(Y)
-
0
HF2 6(Y)
-
0
DAM 7(Y)
-
0
ALA 8(Y)
-
0
MAA 9(Y)
-
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-HL2-HL2-OTH-THC-HF2-DAM-ALA-MAA
List of
interactions
ACE 1(Y) to MAA 9(Y)
