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PDBsum entry 3f68
Go to PDB code:
Ligand/metal interactions
PDB id
3f68
Ligand highlighted
ASP-PHE-GLU-GLU-
ILE-PRO-GLU-GLU-
TYS
Ligands
ASP-PHE-GLU-GLU-
ILE-PRO-GLU-GLU-
TYS
ASP 55(I) to TYS 63(I)
91U
91U 901(H)
Metals
_NA
×2
NA 903(H)
NA 902(H)
Ligand
ASP-PHE-GLU-GLU-ILE-PRO-GLU-GLU-TYS
-
O-Sulfo-L-Tyrosine
Formula:
C
9
H
11
NO
6
S
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
ASP 55(I)
9
9
1
1
0
0
0
0
0
0
PHE 56(I)
12
12
1
1
0
0
0
0
0
0
GLU 57(I)
10
10
1
1
0
0
0
0
0
0
GLU 58(I)
10
6
1
1
4
0
-
-
-
-
ILE 59(I)
9
9
1
1
0
0
0
0
0
0
PRO 60(I)
8
8
1
1
0
0
0
0
0
0
GLU 61(I)
10
6
1
1
4
0
-
-
-
-
GLU 62(I)
10
6
1
1
4
0
-
-
-
-
TYS 63(I)
17
16
0
0
1
0
-
-
-
-
Advanced Analysis
Residue
Name Mismatches
Count
ASP 55(I)
-
0
PHE 56(I)
O: OXT
1
GLU 57(I)
-
0
GLU 58(I)
-
0
ILE 59(I)
O: OXT
1
PRO 60(I)
-
0
GLU 61(I)
O: OXT
1
GLU 62(I)
O: OXT
1
TYS 63(I)
O3: O2
|
O2: O3
2
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 ASP-PHE-GLU-GLU-ILE-PRO-GLU-GLU-TYS
List of
interactions
ASP 55(I) to TYS 63(I)
_NA
×2
