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PDBsum entry 5hg9
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Ligand/metal interactions
PDB id
5hg9
Ligand highlighted
63A
Ligands
63A
63A 9001(A)
SO4
×2
SO4 9002(A)
SO4 9003(A)
GOL
×3
GOL 9004(A)
GOL 9005(A)
GOL 9006(A)
Ligand
63A
-
1-[(3r,4r)-3-[({2-[(1-Methyl-1h-Pyrazol-4-Yl)amino]-7h-
Pyrrolo[2,3-D]pyrimidin-4-Yl}oxy)methyl]-4-
(Trifluoromethyl)pyrr olidin-1-Yl]propan-1-One
[Bound form of 1-[(3r,4r)-3-[({2-[(1-Methyl-1h-Pyrazol- 4-
Yl)amino]-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl}oxy) methyl]-4-
(Trifluoromethyl)pyrro lidin-1-Yl]prop-2-En- 1-One]
Formula:
C
19
H
22
F
3
N
7
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
63A 9001(A)
31
31
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 63A
List of
interactions
63A 9001(A)
