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PDBsum entry 4em4
Go to PDB code:
Ligand/metal interactions
PDB id
4em4
2 instances of ligand highlighted
CA8
Ligands
FAD
×2
FAD 501(A)
CA8
×2
CA8 508(A)
Metals
_MG
×3
MG 502(A)
MG 503(A)
_CL
×7
CL 504(A)
CL 505(A)
CL 506(A)
CL 507(A)
CL 505(B)
Ligand
CA8
-
[[(2r,3s,4r,5r)-5-(6-Aminopurin-9-Yl)-4-Oxidanyl-3-
Phosphonooxy-Oxolan-2-Yl]methoxy-Oxidanyl-
Phosphoryl] [(3r)-2,2-Dimethyl-3-Oxidanyl-4-Oxidanylidene-
4-[[3- Oxidanylidene-3-[4-
(Phenylsulfonyl) butylamino]propyl]amino]butyl] hydrogen
phosphate
Formula:
C
29
H
44
N
7
O
18
P
3
S
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
CA8 508(A)
58
58
0
0
0
0
0
1
0
0
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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3D Viewers:
Ligand matches this enzyme's reactant CoA with similarity 79.66%
LIGPLOT
of interactions involving ligand CA8
List of
interactions
CA8 508(A)
(also representing equivalent ligand CA8 506(B) )
_MG
×3
