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PDBsum entry 4x9r
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Ligand/metal interactions
PDB id
4x9r
Ligand highlighted
4L0-LEU-56A-SER-
TPO-NH2
Ligands
4L0-LEU-56A-SER-
TPO-NH2
4L0 1(B) to NH2 6(B)
Ligand
4L0-LEU-56A-SER-TPO-NH2
4L0
-
(4r)-1-Acetyl-4-(Hexyloxy)-L-Proline [(4r)-1-Acetyl-4-(Hex-5-En-1-Yloxy)-L-Proline (bound form)]
Formula:
C
13
H
23
NO
4
56A
-
3-(8-Phenyloctyl)-L-Histidine
Formula:
C
20
H
29
N
3
O
2
TPO
-
Phosphothreonine [Phosphonothreonine]
Formula:
C
4
H
10
NO
6
P
NH2
-
Amino group
Formula:
H
2
N
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
4L0 1(B)
18
18
1
1
0
0
0
0
0
0
LEU 2(B)
9
9
1
1
0
0
0
0
0
0
56A 3(B)
25
25
1
1
0
0
0
0
0
0
SER 4(B)
7
6
0
0
1
0
-
-
-
-
TPO 5(B)
12
12
1
1
0
0
0
0
0
0
NH2 6(B)
1
-
-
-
-
-
-
-
-
-
Advanced Analysis
Residue
Name Mismatches
Count
4L0 1(B)
-
0
LEU 2(B)
-
0
56A 3(B)
-
0
SER 4(B)
CB: C
|
C: CB
|
O: OG
|
OG: OXT
4
TPO 5(B)
O2P: O1P
|
O1P: O3P
2
NH2 6(B)
-
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 4L0-LEU-56A-SER-TPO-NH2
List of
interactions
4L0 1(B) to NH2 6(B)
