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PDBsum entry 3ikc
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Ligand/metal interactions
PDB id
3ikc
2 instances of ligand highlighted
KME-KDO
Ligands
KME-KDO
×2
KME 1(E) to KDO 2(E)
Metals
_MG
×2
MG 215(B)
Ligand
KME-KDO
KME
-
(1e)-Prop-1-En-1-Yl 3-Deoxy-7-O-Methyl-Alpha-D-Manno- Oct-2-Ulopyranosidonic acid [(1e)-Prop-1-En-1-Yl 3-Deoxy-7-O-Methyl-Alpha-D-Manno- Oct-2-Ulosidonic acid; (1e)-Prop-1-En-1-Yl 3-Deoxy-7- O-Methyl-D-Manno-Oct-2-Ulosidonic acid; (1e)-Prop-1- En-1-Yl 3-Deoxy-7-O-Methyl-Manno-Oct-2-Ulosidonic acid]
Formula:
C
12
H
20
O
8
KDO
-
3-Deoxy-Alpha-D-Manno-Oct-2-Ulopyranosonic acid [3-Deoxy-D-Manno-Oct-2-Ulopyranosonic acid; 2-Keto-3- Deoxy-D-Mannooctanoic acid; 3-Deoxy-Alpha-D-Manno-Oct- 2-Ulosonic acid; 3-Deoxy-D-Manno-Oct-2-Ulosonic acid; 3-Deoxy-Manno-Oct-2-Ulosonic acid]
Formula:
C
8
H
14
O
8
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
KME 1(E)
20
20
0
0
Complete
Chiral checks - OK
KDO 2(E)
16
16
1
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
KME 1(E)
-
0
KDO 2(E)
O1B: O1A
|
O1A: O1B
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 KME-KDO
List of
interactions
KME 1(E) to KDO 2(E)
(also representing equivalent ligand KME 1(F) to KDO 2(F) )
_MG
×2
