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PDBsum entry 2cf8
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Ligand/metal interactions
PDB id
2cf8
Ligand highlighted
ESH
Ligands
SIN-PHE-GLU-GLU-
ILE-PRO
SIN 1(I) to PRO 6(I)
ESH
ESH 1246(H)
Metals
_CA
CA 1249(H)
_NA
NA 1248(H)
Ligand
ESH
-
4- [(1r,3as,4r,8as,8br)- 2- (4-Chlorobenzyl)- 1- Isopropyl-
3- Oxodecahydropyrrolo[3,4- A]pyrrolizin- 4-
Yl]benzenecarboximidamide
Formula:
C
26
H
31
ClN
4
O
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
ILE 5(I)
9
9
1
1
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
ILE 5(I)
O: OXT
1
Additional Information
Validation carried out using
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List of
interactions
ESH 1246(H)
_CA
_NA
