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PDBsum entry 2rcx
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Ligand/metal interactions
PDB id
2rcx
Ligand highlighted
SM4-PO4
Ligands
SM4-PO4
SM4 964(A) to PO4 1(A)
PO4
PO4 362(A)
SM4
SM4 964(B)
Ligand
SM4-PO4
SM4
-
(1r)-1-(2-Thiophen-2-Yl-Acetylamino)-1-(3-(2- Carboxyvinyl)-Phenyl) methylboronic acid [(2e)-3-(3-{(R)-(Dihydroxyboryl)[(2-Thienylacetyl) amino]methyl}phenyl)acrylic acid]
Formula:
C
16
H
16
BNO
5
S
PO4
-
Phosphate ion
Formula:
O
4
P
3
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
PO4 1(A)
5
-
-
-
Residue too small to validate
SM4 964(A)
24
24
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
PO4 1(A)
-
0
SM4 964(A)
O23: O24
|
O24: O23
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 SM4-PO4
List of
interactions
SM4 964(A) to PO4 1(A)
