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PDBsum entry 2puq
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Ligand/metal interactions
PDB id
2puq
Ligand highlighted
TYR-THR-AR7-0QE
Ligands
TYR-THR-AR7-0QE
TYR 1(I) to 0QE 4(I)
BGC
BGC 143(L)
FUC
FUC 144(L)
Metals
_CA
CA 1001(H)
Ligand
TYR-THR-AR7-0QE
AR7
-
Amino{[(4s)-4-Amino-5,5- Dihydroxypentyl]amino}methaniminium
Formula:
C
6
H
17
N
4
O
2
0QE
-
Chloromethane [Chloro methyl group]
Formula:
CH
3
Cl
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
TYR 1(I)
13
13
1
1
Complete
Chiral checks - OK
THR 2(I)
8
8
1
1
Complete
Chiral checks - OK
AR7 3(I)
12
12
1
0
Complete
Chiral checks - OK
0QE 4(I)
2
-
-
-
Residue too small to validate
Advanced Analysis
Residue
Name Mismatches
Count
TYR 1(I)
O: OXT
1
THR 2(I)
O: OXT
1
AR7 3(I)
-
0
0QE 4(I)
-
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 TYR-THR-AR7-0QE
List of
interactions
TYR 1(I) to 0QE 4(I)
_CA
