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PDBsum entry 1k22
Go to PDB code:
Ligand/metal interactions
PDB id
1k22
Ligand highlighted
MEL
Ligands
ASP-PHE-GLU-GLU-
ILE-PRO-GLU-GLU-
TYS-LEU
ASP 55(I) to LEU 64(I)
NAG-NAG
NAG 1(A) to NAG 2(A)
MEL
MEL 999(H)
Metals
_NA
×2
NA 391(H)
NA 392(H)
Ligand
MEL
-
[((1r)-2-{(2s)-2-[({4-
[Amino(imino) methyl]benzyl}amino)carbonyl]azetidinyl}-1-
Cyclohexyl- 2-Oxoethyl)amino]acetic acid
[Melagatran (astra-Zeneca)]
Formula:
C
22
H
31
N
5
O
4
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
MEL 999(H)
31
31
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
MEL 999(H)
N25: N24
|
N24: N25
2
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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3D Viewers:
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of interactions involving ligand MEL
List of
interactions
MEL 999(H)
_NA
×2
