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PDBsum entry 2a1e
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Ligand/metal interactions
PDB id
2a1e
Ligand highlighted
IPF
Ligands
DMS
×5
DMS 301(A)
DMS 302(A)
DMS 303(A)
DMS 310(A)
DMS 306(B)
ACT
×2
ACT 308(B)
ACT 309(B)
IPF
IPF 400(B)
GOL
GOL 304(B)
Metals
_NA
NA 305(B)
_CL
CL 307(B)
Ligand
IPF
-
N-Acetyltryptophyl-N~1~-{3-[1-(N-
Acetyltryptophylvalyl)pyrrolidin-2-Yl]-1-Benzyl-2,3-
Dihydroxypropyl}valinamide
Formula:
C
50
H
64
N
8
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
IPF 400(B)
66
66
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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of interactions involving ligand IPF
List of
interactions
IPF 400(B)
_NA
