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PDBsum entry 5cz5
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Ligand/metal interactions
PDB id
5cz5
Ligand highlighted
3BV-MES
Ligands
3BV-MES
3BV 301(H) to MES 302(H)
3BV
×3
3BV 301(K)
3BV 301(V)
MES
×3
MES 303(K)
MES 302(V)
Metals
_CL
×4
CL 303(G)
CL 202(N)
_MG
×8
MG 302(I)
MG 301(L)
MG 301(G)
MG 302(G)
MG 301(I)
MG 201(N)
Ligand
3BV-MES
3BV
-
N-{(2s)-2-[(Morpholin-4-Ylacetyl)amino]-4- Phenylbutanoyl}-L-Leucyl-N-[(2r,3s,4s)-1,3-Dihydroxy- 2,6-Dimethylheptan-4-Yl]-L-Phenylalaninamide [Carfilzomib, Bound form]
Formula:
C
40
H
61
N
5
O
7
MES
-
2-(N-Morpholino)-Ethanesulfonic acid
Formula:
C
6
H
13
NO
4
S
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
3BV 301(H)
52
52
0
0
Complete
Chiral checks - OK
MES 302(H)
12
12
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
3BV 301(H)
-
0
MES 302(H)
O3S: O2S
|
O1S: O3S
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 3BV-MES
List of
interactions
3BV 301(H) to MES 302(H)
_CL
×4
