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PDBsum entry 1k22
Go to PDB code:
Ligand/metal interactions
PDB id
1k22
Ligand highlighted
ASP-PHE-GLU-GLU-
ILE-PRO-GLU-GLU-
TYS-LEU
Ligands
ASP-PHE-GLU-GLU-
ILE-PRO-GLU-GLU-
TYS-LEU
ASP 55(I) to LEU 64(I)
NAG-NAG
NAG 1(A) to NAG 2(A)
MEL
MEL 999(H)
Metals
_NA
×2
NA 391(H)
NA 392(H)
Ligand
ASP-PHE-GLU-GLU-ILE-PRO-GLU-GLU-TYS-LEU
-
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
10
1
1
0
0
0
0
0
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
5
1
1
5
0
-
-
-
-
GLU 62(I)
10
10
1
1
0
0
0
0
0
0
TYS 63(I)
17
17
1
1
0
0
0
0
0
0
LEU 64(I)
9
9
0
0
0
0
0
0
0
0
Advanced Analysis
Residue
Name Mismatches
Count
ASP 55(I)
OD2: OD1
|
OD1: OD2
2
PHE 56(I)
O: OXT
1
GLU 57(I)
OE2: OE1
|
OE1: OE2
2
GLU 58(I)
OE2: OE1
|
OE1: OE2
|
O: OXT
3
ILE 59(I)
O: OXT
1
PRO 60(I)
-
0
GLU 61(I)
O: OXT
1
GLU 62(I)
OE2: OE1
|
OE1: OE2
|
O: OXT
3
TYS 63(I)
-
0
LEU 64(I)
OXT: O
|
O: OXT
2
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 ASP-PHE-GLU-GLU-ILE-PRO-GLU-GLU-TYS-LEU
List of
interactions
ASP 55(I) to LEU 64(I)
_NA
×2
