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Atomistry » Sodium » PDB 4kxy-4lgn » 4l7b | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Sodium » PDB 4kxy-4lgn » 4l7b » |
Sodium in PDB 4l7b: Structure of KEAP1 Kelch Domain with (1S,2R)-2-{[(1S)-1-[(1,3-Dioxo-1, 3-Dihydro-2H-Isoindol-2-Yl)Methyl]-3,4-Dihydroisoquinolin-2(1H)- Yl]Carbonyl}Cyclohexanecarboxylic AcidProtein crystallography data
The structure of Structure of KEAP1 Kelch Domain with (1S,2R)-2-{[(1S)-1-[(1,3-Dioxo-1, 3-Dihydro-2H-Isoindol-2-Yl)Methyl]-3,4-Dihydroisoquinolin-2(1H)- Yl]Carbonyl}Cyclohexanecarboxylic Acid, PDB code: 4l7b
was solved by
E.Jnoff,
F.Brookfield,
C.Albrecht,
J.J.Barker,
O.Barker,
E.Beaumont,
S.Bromidge,
M.Brooks,
T.Ceska,
J.P.Courade,
T.Crabbe,
S.Duclos,
T.Fryatt,
E.Jigorel,
J.Kwong,
Z.Sands,
M.A.Smith,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Sodium Binding Sites:
The binding sites of Sodium atom in the Structure of KEAP1 Kelch Domain with (1S,2R)-2-{[(1S)-1-[(1,3-Dioxo-1, 3-Dihydro-2H-Isoindol-2-Yl)Methyl]-3,4-Dihydroisoquinolin-2(1H)- Yl]Carbonyl}Cyclohexanecarboxylic Acid
(pdb code 4l7b). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Structure of KEAP1 Kelch Domain with (1S,2R)-2-{[(1S)-1-[(1,3-Dioxo-1, 3-Dihydro-2H-Isoindol-2-Yl)Methyl]-3,4-Dihydroisoquinolin-2(1H)- Yl]Carbonyl}Cyclohexanecarboxylic Acid, PDB code: 4l7b: Sodium binding site 1 out of 1 in 4l7bGo back to Sodium Binding Sites List in 4l7b
Sodium binding site 1 out
of 1 in the Structure of KEAP1 Kelch Domain with (1S,2R)-2-{[(1S)-1-[(1,3-Dioxo-1, 3-Dihydro-2H-Isoindol-2-Yl)Methyl]-3,4-Dihydroisoquinolin-2(1H)- Yl]Carbonyl}Cyclohexanecarboxylic Acid
Mono view Stereo pair view
Reference:
E.Jnoff,
C.Albrecht,
J.J.Barker,
O.Barker,
E.Beaumont,
S.Bromidge,
F.Brookfield,
M.Brooks,
C.Bubert,
T.Ceska,
V.Corden,
G.Dawson,
S.Duclos,
T.Fryatt,
C.Genicot,
E.Jigorel,
J.Kwong,
R.Maghames,
I.Mushi,
R.Pike,
Z.A.Sands,
M.A.Smith,
C.C.Stimson,
J.P.Courade.
Binding Mode and Structure-Activity Relationships Around Direct Inhibitors of the NRF2-KEAP1 Complex. Chemmedchem V. 9 699 2014.
Page generated: Tue Dec 15 06:51:25 2020
ISSN: ISSN 1860-7179 PubMed: 24504667 DOI: 10.1002/CMDC.201300525 |
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