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PDBsum entry 3unf
Go to PDB code:
Ligand/metal interactions
PDB id
3unf
6 instances of ligand highlighted
04C
Ligands
04C
×6
04C 301(H)
04C 301(K)
04C 201(N)
Metals
_CL
×41
CL 303(A)
CL 301(D)
CL 301(E)
CL 303(H)
CL 301(J)
CL 203(N)
CL 302(O)
CL 301(P)
CL 304(Q)
CL 303(R)
CL 301(U)
CL 306(V)
CL 301(W)
CL 301(A)
CL 302(A)
CL 301(L)
CL 302(L)
CL 301(M)
CL 302(M)
CL 303(M)
CL 304(M)
CL 302(Q)
CL 303(Q)
CL 302(R)
CL 302(S)
CL 303(V)
CL 305(V)
CL 302(X)
CL 303(X)
CL 301(Z)
CL 303(a)
__K
×13
K 301(B)
K 301(G)
K 302(I)
K 303(K)
K 303(L)
K 305(M)
K 303(S)
K 304(X)
K 304(Z)
K 305(a)
K 203(b)
K 302(Z)
K 303(Z)
IOD
×6
IOD 302(Y)
IOD 302(H)
IOD 202(N)
Ligand
04C
-
1,2,4-Trideoxy-4-Methyl-2-{[N-(Morpholin-4-Ylacetyl)-L-
Alanyl-O-Methyl-L-Tyrosyl]amino}-1-Phenyl-D-Xylitol
Formula:
C
31
H
44
N
4
O
7
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
04C 301(H)
42
42
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 04C
List of
interactions
04C 301(H)
(also representing equivalent ligand 04C 301(V) )
_CL
×41
IOD
×6
