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PDBsum entry 1g65
Go to PDB code:
Ligand/metal interactions
PDB id
1g65
2 instances of ligand highlighted
ACE-IML-ILE-THR-
04D
Ligands
ACE-IML-ILE-THR-
04D
×2
ACE 1(3) to 04D 5(3)
Metals
_MG
×10
MG 301(D)
MG 302(F)
MG 301(G)
MG 301(H)
MG 202(I)
MG 301(K)
MG 201(L)
MG 201(N)
MG 301(F)
MG 201(I)
Ligand
ACE-IML-ILE-THR-04D
ACE
-
Acetyl group
Formula:
C
2
H
4
O
IML
-
N-Methyl-Isoleucine
Formula:
C
7
H
15
NO
2
04D
-
(2r,3r,4s)-4-Amino-2,6-Dimethylheptane-1,3-Diol
Formula:
C
9
H
21
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(3)
3
-
-
-
Residue too small to validate
IML 2(3)
10
10
1
1
Complete
Chiral checks - OK
ILE 3(3)
9
9
1
1
Complete
Chiral checks - OK
THR 4(3)
8
8
1
1
Complete
Chiral checks - OK
04D 5(3)
12
12
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
ACE 1(3)
-
0
IML 2(3)
OXT: O
1
ILE 3(3)
-
0
THR 4(3)
O: OXT
1
04D 5(3)
-
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-IML-ILE-THR-04D
List of
interactions
ACE 1(3) to 04D 5(3)
(also representing equivalent ligand ACE 1(4) to 04D 5(4) )
_MG
×10
