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PDBsum entry 6o1h
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Ligand/metal interactions
PDB id
6o1h
Ligand highlighted
F9F
Ligands
DMS
×8
DMS 401(A)
DMS 402(A)
DMS 404(A)
DMS 402(B)
DMS 403(B)
DMS 404(B)
DMS 406(B)
DMS 407(B)
F9F
F9F 403(A)
HVK
HVK 401(B)
1D0
1D0 405(B)
Metals
_CL
×16
CL 407(A)
CL 423(B)
CL 406(A)
CL 410(B)
CL 411(B)
CL 412(B)
CL 413(B)
CL 414(B)
CL 415(B)
CL 416(B)
CL 417(B)
CL 418(B)
CL 419(B)
CL 420(B)
CL 421(B)
CL 422(B)
_CS
×3
CS 405(A)
CS 408(B)
CS 409(B)
Ligand
F9F
-
2-({[4-
(Trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen
phosphate
[N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-
Ethylphosphate, F9]
Formula:
C
9
H
11
F
3
NO
7
PS
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
F9F 403(A)
22
22
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
F9F 403(A)
O19: O18
|
O18: O19
2
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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of interactions involving ligand F9F
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F9F 403(A)
_CL
×16
