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PDBsum entry 3vq2
Go to PDB code:
Ligand/metal interactions
PDB id
3vq2
2 instances of ligand highlighted
LP4-LP5-DAO-MYR
Ligands
NAG-NAG
×2
NAG 1(E) to NAG 2(E)
NAG
×3
NAG 800(A)
NAG 801(A)
NAG 804(A)
LP4-LP5-DAO-MYR
×2
LP4 300(C) to MYR 303(C)
Ligand
LP4-LP5-DAO-MYR
LP4
-
2-Deoxy-3-O-[(3r)-3-Hydroxytetradecanoyl]-2-{[(3r)-3- Hydroxytetradecanoyl]amino}-4-O-Phosphono-Beta-D- Glucopyranose
Formula:
C
34
H
66
NO
12
P
LP5
-
(R)-((2r,3s,4r,5r,6r)-3-Hydroxy-2-(Hydroxymethyl)-5- ((R)-3-Hydroxytetradecanamido)-6-(Phosphonooxy) tetrahydro-2h-Pyran-4-Yl) 3-Hydroxytetradecanoate
Formula:
C
34
H
66
NO
12
P
DAO
-
Lauric acid
Formula:
C
12
H
24
O
2
MYR
-
Myristic acid
Formula:
C
14
H
28
O
2
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
LP4 300(C)
48
46
1
0
2
0
-
-
-
-
LP5 301(C)
48
48
0
0
0
0
0
0
0
0
DAO 302(C)
14
14
1
0
0
0
0
0
0
0
MYR 303(C)
16
16
1
0
0
0
0
0
0
0
Advanced Analysis
Residue
Name Mismatches
Count
LP4 300(C)
O48: O46
|
O47: O48
2
LP5 301(C)
-
0
DAO 302(C)
O2: O1
1
MYR 303(C)
O2: O1
1
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 LP4-LP5-DAO-MYR
List of
interactions
LP4 300(C) to MYR 303(C)
(also representing equivalent ligand LP4 300(D) to MYR 303(D) )
