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PDBsum entry 1md2
Go to PDB code:
Ligand/metal interactions
PDB id
1md2
2 instances of ligand highlighted
233-233-_SQ
Ligands
233-233-_SQ
×2
233 2201(D) to SQ 2202(D)
CYN-233
CYN 1208(F) to 233 1207(F)
Ligand
233-233-_SQ
233
-
[5-(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran- 2-Ylcarbamoyl)-Pentyl]-Carbamic acid methyl ester [Bmsc-0013]
Formula:
C
14
H
26
N
2
O
8
SQ
-
3-Ethylamino-4-Methylamino-Cyclobutane-1,2-Dione [Squaric acid]
Formula:
C
7
HNN
2
O
2
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
233 2201(D)
24
24
0
0
0
0
0
0
0
0
SQ 2202(D)
11
Degenerate residue
233 2203(D)
24
24
0
0
0
0
0
0
0
0
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 233-233-_SQ
List of
interactions
233 2201(D) to SQ 2202(D)
(also representing equivalent ligand 233 1204(E) to SQ 1205(E) )
