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PDBsum entry 2a3b
Go to PDB code:
Ligand/metal interactions
PDB id
2a3b
6 instances of ligand highlighted
CFF
Ligands
SO4
×12
SO4 1001(A)
SO4 1002(A)
SO4 1006(A)
SO4 1008(A)
SO4 1009(A)
SO4 1004(B)
SO4 1005(B)
SO4 1012(B)
CFF
×6
CFF 1433(A)
CFF 1434(A)
CFF 1435(A)
Ligand
CFF
-
Caffeine
[3,7-Dihydro-1,3,7-Trimethyl-1h-Purine-2,6-Dione]
Formula:
C
8
HNN
4
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
CFF 1433(A)
14
14
0
0
Complete
Chiral checks - OK
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 CFF
List of
interactions
CFF 1433(A)
(also representing equivalent ligand CFF 2434(B) )
