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PDBsum entry 6b5q
Go to PDB code:
Ligand/metal interactions
PDB id
6b5q
2 instances of ligand highlighted
PPI-CZS-2KY-MLY-
1XY
Ligands
PPI-CZS-2KY-MLY-
1XY
×2
PPI 1(D) to 1XY 5(D)
PGE
×2
PGE 301(A)
Ligand
PPI-CZS-2KY-MLY-1XY
PPI
-
Propanoic acid
Formula:
C
3
H
62
O
2
CZS
-
3-(6-Chloro-1,3-Benzothiazol-2-Yl)-L-Alanine
Formula:
C
10
H
9
ClN
2
O
2
S
2KY
-
(2s)-Amino(cyclopentyl)ethanoic acid
Formula:
C
7
H
13
NO
2
MLY
-
N-Dimethyl-Lysine
Formula:
C
8
HNN
2
O
2
1XY
-
(4r)-3,4-Dihydro-2h-Chromen-4-Amine
Formula:
C
9
H
11
NO
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
PPI 1(D)
5
-
-
-
Residue too small to validate
CZS 2(D)
16
16
1
1
Complete
Chiral checks - OK
2KY 3(D)
10
10
1
1
Complete
Chiral checks - OK
MLY 4(D)
12
12
1
1
Complete
Chiral checks - OK
1XY 5(D)
11
11
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
PPI 1(D)
-
0
CZS 2(D)
-
0
2KY 3(D)
O32: OXT
1
MLY 4(D)
-
0
1XY 5(D)
-
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 PPI-CZS-2KY-MLY-1XY
List of
interactions
PPI 1(D) to 1XY 5(D)
(also representing equivalent ligand PPI 1(E) to 1XY 5(E) )
