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Caesium in PDB 4eeb: Cora Coiled-Coil Mutant Under MG2+ Absence

Protein crystallography data

The structure of Cora Coiled-Coil Mutant Under MG2+ Absence, PDB code: 4eeb was solved by R.Pfoh, E.F.Pai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.92 / 3.80
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 125.600, 221.900, 106.800, 90.00, 90.00, 90.00
R / Rfree (%) 29.9 / 34.3

Other elements in 4eeb:

The structure of Cora Coiled-Coil Mutant Under MG2+ Absence also contains other interesting chemical elements:

Sodium (Na) 1 atom

Caesium Binding Sites:

The binding sites of Caesium atom in the Cora Coiled-Coil Mutant Under MG2+ Absence (pdb code 4eeb). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 9 binding sites of Caesium where determined in the Cora Coiled-Coil Mutant Under MG2+ Absence, PDB code: 4eeb:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Caesium binding site 1 out of 9 in 4eeb

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Caesium binding site 1 out of 9 in the Cora Coiled-Coil Mutant Under MG2+ Absence


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Cora Coiled-Coil Mutant Under MG2+ Absence within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs401

b:0.3
occ:0.80
ND2 A:ASN314 3.0 0.9 1.0
ND2 E:ASN314 3.7 0.7 1.0
OD1 E:ASN314 3.7 0.5 1.0
OD1 A:ASN314 3.8 0.9 1.0
CG A:ASN314 3.9 1.0 1.0
ND2 D:ASN314 4.0 0.1 1.0
CG E:ASN314 4.1 0.7 1.0
O E:GLY312 4.2 0.5 1.0
OD1 C:ASN314 4.2 0.7 1.0
O A:GLY312 4.3 0.7 1.0
ND2 C:ASN314 4.3 0.1 1.0
OD1 D:ASN314 4.4 0.2 1.0
O D:GLY312 4.5 0.4 1.0
C A:GLY312 4.6 0.1 1.0
CG C:ASN314 4.7 0.8 1.0
CG D:ASN314 4.7 0.1 1.0
CA A:GLY312 4.7 0.1 1.0
C E:GLY312 4.9 0.5 1.0

Caesium binding site 2 out of 9 in 4eeb

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Caesium binding site 2 out of 9 in the Cora Coiled-Coil Mutant Under MG2+ Absence


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Cora Coiled-Coil Mutant Under MG2+ Absence within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs1001

b:0.7
occ:0.50
OD1 C:ASP89 3.0 0.9 1.0
CE1 B:HIS257 3.2 0.6 1.0
NE2 B:HIS257 3.5 0.1 1.0
OE1 C:GLN95 3.7 0.9 1.0
ND1 B:HIS257 3.9 0.3 1.0
CG C:ASP89 4.2 0.4 1.0
OE2 C:GLU88 4.3 0.9 1.0
ND2 C:ASN92 4.4 0.1 1.0
CD2 B:HIS257 4.4 0.1 1.0
CG C:ASN92 4.4 0.2 1.0
CB C:ASN92 4.5 0.7 1.0
OD2 B:ASP253 4.6 0.9 1.0
OD1 B:ASP253 4.6 0.3 1.0
CG B:HIS257 4.6 0.3 1.0
CA C:ASP89 4.7 0.8 1.0
CD C:GLN95 4.7 0.2 1.0
OD1 C:ASN92 4.9 0.7 1.0
CG B:ASP253 5.0 0.8 1.0

Caesium binding site 3 out of 9 in 4eeb

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Caesium binding site 3 out of 9 in the Cora Coiled-Coil Mutant Under MG2+ Absence


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Cora Coiled-Coil Mutant Under MG2+ Absence within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs1003

b:0.9
occ:0.50
OD2 B:ASP189 3.5 0.1 1.0
OE1 B:GLU186 3.8 0.2 1.0
CG B:ASP189 4.2 0.2 1.0
CG B:GLU186 4.3 0.0 1.0
CA B:GLU186 4.3 0.9 1.0
CB B:ASP189 4.3 0.7 1.0
CD B:GLU186 4.5 0.7 1.0
CB B:GLU186 4.6 0.1 1.0
N B:GLU186 4.8 0.9 1.0
O B:LEU185 5.0 0.2 1.0

Caesium binding site 4 out of 9 in 4eeb

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Caesium binding site 4 out of 9 in the Cora Coiled-Coil Mutant Under MG2+ Absence


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Cora Coiled-Coil Mutant Under MG2+ Absence within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs1004

b:0.5
occ:0.50
OD1 B:ASP190 3.1 0.7 1.0
OD2 B:ASP190 3.5 0.9 1.0
CG B:ASP190 3.5 0.2 1.0
CB B:ASP190 4.8 0.3 1.0

Caesium binding site 5 out of 9 in 4eeb

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Caesium binding site 5 out of 9 in the Cora Coiled-Coil Mutant Under MG2+ Absence


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Cora Coiled-Coil Mutant Under MG2+ Absence within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cs401

b:0.1
occ:0.50
OD2 C:ASP253 2.8 0.6 1.0
CG C:ASP253 3.6 0.7 1.0
OH C:TYR171 3.8 0.5 1.0
OD1 C:ASP253 3.9 0.3 1.0
CD2 D:LEU85 4.1 0.0 1.0
CB C:ASP253 4.7 0.5 1.0

Caesium binding site 6 out of 9 in 4eeb

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Caesium binding site 6 out of 9 in the Cora Coiled-Coil Mutant Under MG2+ Absence


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of Cora Coiled-Coil Mutant Under MG2+ Absence within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cs1001

b:0.0
occ:0.50
ND2 E:ASN92 3.1 0.1 1.0
CE1 D:HIS257 3.3 0.7 1.0
CD E:GLN95 3.8 0.7 1.0
OE1 E:GLN95 3.8 0.0 1.0
NE2 E:GLN95 4.0 0.9 1.0
CG E:ASN92 4.0 0.7 1.0
ND1 D:HIS257 4.1 0.2 1.0
CB E:ASN92 4.1 0.1 1.0
NE2 D:HIS257 4.2 0.8 1.0
OD1 E:ASP89 4.3 0.7 1.0
CG E:GLN95 4.4 0.4 1.0
OE2 E:GLU88 4.5 0.6 1.0
OD1 D:ASP253 4.7 0.1 1.0
CA E:ASP89 4.8 0.0 1.0
CG E:ASP89 4.8 0.3 1.0

Caesium binding site 7 out of 9 in 4eeb

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Caesium binding site 7 out of 9 in the Cora Coiled-Coil Mutant Under MG2+ Absence


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of Cora Coiled-Coil Mutant Under MG2+ Absence within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cs401

b:0.5
occ:0.50
NE2 E:GLN213 4.7 0.5 1.0
OE1 E:GLU121 4.9 0.8 1.0

Caesium binding site 8 out of 9 in 4eeb

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Caesium binding site 8 out of 9 in the Cora Coiled-Coil Mutant Under MG2+ Absence


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of Cora Coiled-Coil Mutant Under MG2+ Absence within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cs402

b:0.2
occ:0.50
OD1 A:ASP89 2.7 0.8 1.0
OD1 E:ASP253 2.8 0.2 1.0
OD2 E:ASP253 3.0 0.5 1.0
CG E:ASP253 3.2 0.6 1.0
CG A:ASP89 3.4 0.2 1.0
OE2 A:GLU88 3.5 0.3 1.0
OD2 A:ASP89 3.5 0.2 1.0
O A:LEU85 3.6 0.6 1.0
NE2 E:HIS257 3.9 0.7 1.0
CD2 A:LEU85 4.0 0.1 1.0
CE1 E:HIS257 4.1 0.6 1.0
C A:LEU85 4.5 0.1 1.0
CB E:ASP253 4.5 0.1 1.0
CD A:GLU88 4.5 0.5 1.0
CB A:ASP89 4.6 0.8 1.0
CB A:GLU88 4.6 0.2 1.0
CA A:LEU85 4.6 0.9 1.0
N A:ASP89 4.7 0.1 1.0
CB A:LEU85 4.7 0.7 1.0
CG A:GLU88 4.8 0.9 1.0
CA A:ASP89 4.9 0.4 1.0
CG A:LEU85 5.0 0.1 1.0

Caesium binding site 9 out of 9 in 4eeb

Go back to Caesium Binding Sites List in 4eeb
Caesium binding site 9 out of 9 in the Cora Coiled-Coil Mutant Under MG2+ Absence


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 9 of Cora Coiled-Coil Mutant Under MG2+ Absence within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cs403

b:0.4
occ:0.50
OD2 E:ASP193 4.6 0.9 1.0
OE2 A:GLU121 4.9 0.9 1.0
OD1 E:ASP193 4.9 0.1 1.0

Reference:

R.Pfoh, A.Li, N.Chakrabarti, J.Payandeh, R.Pomes, E.F.Pai. Structural Asymmetry in the Magnesium Channel Cora Points to Sequential Allosteric Regulation. Proc.Natl.Acad.Sci.Usa V. 109 18809 2012.
ISSN: ISSN 0027-8424
PubMed: 23112165
DOI: 10.1073/PNAS.1209018109
Page generated: Tue Jul 30 20:27:41 2024

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