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PDBsum entry 4u3f
Go to PDB code:
Ligand/metal interactions
PDB id
4u3f
2 instances of ligand highlighted
Y52
Ligands
PEE
×14
PEE 501(A)
PEE 505(C)
PEE 507(C)
PEE 509(C)
PEE 510(C)
PEE 502(E)
PEE 503(E)
HEM
×4
HEM 501(C)
HEM 502(C)
Y52
×2
Y52 503(C)
U10
×2
U10 504(C)
MES
MES 506(C)
GOL
×2
GOL 508(C)
HEC
×2
HEC 501(D)
CDL
×4
CDL 502(D)
CDL 101(G)
BOG
×3
BOG 503(D)
BOG 406(P)
FES
×2
FES 501(E)
Ligand
Y52
-
Methyl (2e)-3-Methoxy-2-(2-{[(5-Methoxy-1,3- Benzothiazol-
2-Yl)sulfanyl]methyl}phenyl)prop-2-Enoate
Formula:
C
20
H
19
NO
4
S
2
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
Y52 503(C)
27
27
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 Y52
List of
interactions
Y52 503(C)
(also representing equivalent ligand Y52 404(P) )
