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PDBsum entry 4mw2
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Ligand/metal interactions
PDB id
4mw2
Ligand highlighted
2E9
Ligands
GOL
×12
GOL 801(A)
GOL 802(A)
GOL 803(A)
GOL 804(A)
GOL 805(A)
GOL 806(A)
GOL 807(A)
GOL 808(A)
GOL 809(A)
DMS
×5
DMS 810(A)
DMS 811(A)
DMS 812(A)
DMS 813(A)
DMS 807(B)
SO4
×4
SO4 814(A)
SO4 805(B)
SO4 806(B)
MET
MET 815(A)
2E9
2E9 808(B)
Ligand
2E9
-
1-(3-{[5-Chloro-2-Hydroxy-3-(Prop-2-En-1-
Yl) benzyl]amino}propyl)-3-Thiophen-3-Ylurea
Formula:
C
18
H
22
ClN
3
O
2
S
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
2E9 808(B)
25
25
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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List of
interactions
2E9 808(B)
