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PDBsum entry 2rki
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Ligand/metal interactions
PDB id
2rki
Ligand highlighted
TT1
Ligands
TT1
TT1 568(A)
GOL
GOL 569(A)
SO4
×5
SO4 561(A)
SO4 562(A)
SO4 563(A)
SO4 564(A)
SO4 565(A)
Metals
_MG
MG 567(A)
_CL
×5
CL 444(B)
CL 566(A)
CL 441(B)
CL 442(B)
CL 443(B)
Ligand
TT1
-
4-Benzyl-3-[(2-Chlorobenzyl)sulfanyl]-5-Thiophen-2-Yl- 4h-
1,2,4-Triazole
Formula:
C
20
H
16
ClN
3
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
TT1 568(A)
26
26
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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of interactions involving ligand TT1
List of
interactions
TT1 568(A)
_MG
