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Caesium in PDB 4r6z: Crystal Structure of Cng Mimicking Nak Mutant, Nak-Etpp, Cs+ Complex

Protein crystallography data

The structure of Crystal Structure of Cng Mimicking Nak Mutant, Nak-Etpp, Cs+ Complex, PDB code: 4r6z was solved by M.De March, L.M.R.Napolitano, S.Onesti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.43 / 2.30
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 68.170, 68.170, 90.400, 90.00, 90.00, 90.00
R / Rfree (%) 15.2 / 18.2

Caesium Binding Sites:

The binding sites of Caesium atom in the Crystal Structure of Cng Mimicking Nak Mutant, Nak-Etpp, Cs+ Complex (pdb code 4r6z). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 5 binding sites of Caesium where determined in the Crystal Structure of Cng Mimicking Nak Mutant, Nak-Etpp, Cs+ Complex, PDB code: 4r6z:
Jump to Caesium binding site number: 1; 2; 3; 4; 5;

Caesium binding site 1 out of 5 in 4r6z

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Caesium binding site 1 out of 5 in the Crystal Structure of Cng Mimicking Nak Mutant, Nak-Etpp, Cs+ Complex


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Crystal Structure of Cng Mimicking Nak Mutant, Nak-Etpp, Cs+ Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs201

b:35.1
occ:0.25
CS A:CS202 3.3 44.6 0.1
O A:GLY65 3.3 31.0 1.0
O A:VAL64 3.4 20.9 1.0
O A:HOH320 3.8 73.2 0.2
C A:GLY65 3.9 29.3 1.0
CA A:GLY65 4.3 29.0 1.0
C A:VAL64 4.5 24.5 1.0
N A:GLU66 4.6 32.5 1.0
CA A:GLU66 4.8 30.6 1.0
N A:GLY65 4.9 26.4 1.0

Caesium binding site 2 out of 5 in 4r6z

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Caesium binding site 2 out of 5 in the Crystal Structure of Cng Mimicking Nak Mutant, Nak-Etpp, Cs+ Complex


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Crystal Structure of Cng Mimicking Nak Mutant, Nak-Etpp, Cs+ Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs202

b:44.6
occ:0.13
O A:VAL64 2.8 20.9 1.0
O A:THR63 2.9 30.3 1.0
CS A:CS201 3.3 35.1 0.2
C A:VAL64 3.6 24.5 1.0
O A:HOH319 4.0 9.5 0.2
C A:THR63 4.1 27.3 1.0
CA A:VAL64 4.2 23.8 1.0
N A:GLY65 4.5 26.4 1.0
N A:VAL64 4.6 28.1 1.0
CA A:GLY65 4.8 29.0 1.0

Caesium binding site 3 out of 5 in 4r6z

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Caesium binding site 3 out of 5 in the Crystal Structure of Cng Mimicking Nak Mutant, Nak-Etpp, Cs+ Complex


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Crystal Structure of Cng Mimicking Nak Mutant, Nak-Etpp, Cs+ Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs201

b:40.1
occ:0.25
CS B:CS202 3.3 52.8 0.1
O B:GLY65 3.4 33.6 1.0
O B:VAL64 3.4 22.5 1.0
C B:GLY65 3.9 29.8 1.0
CA B:GLY65 4.4 31.7 1.0
C B:VAL64 4.6 27.0 1.0
N B:GLU66 4.6 37.9 1.0
CA B:GLU66 4.7 42.3 1.0
N B:GLY65 5.0 31.0 1.0

Caesium binding site 4 out of 5 in 4r6z

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Caesium binding site 4 out of 5 in the Crystal Structure of Cng Mimicking Nak Mutant, Nak-Etpp, Cs+ Complex


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Crystal Structure of Cng Mimicking Nak Mutant, Nak-Etpp, Cs+ Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs202

b:52.8
occ:0.13
O B:VAL64 2.8 22.5 1.0
O B:THR63 2.9 30.0 1.0
CS B:CS201 3.3 40.1 0.2
C B:VAL64 3.7 27.0 1.0
CS B:CS203 3.9 47.2 0.1
C B:THR63 4.1 31.5 1.0
CA B:VAL64 4.2 28.4 1.0
N B:GLY65 4.5 31.0 1.0
N B:VAL64 4.6 27.5 1.0
CA B:GLY65 4.8 31.7 1.0

Caesium binding site 5 out of 5 in 4r6z

Go back to Caesium Binding Sites List in 4r6z
Caesium binding site 5 out of 5 in the Crystal Structure of Cng Mimicking Nak Mutant, Nak-Etpp, Cs+ Complex


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Crystal Structure of Cng Mimicking Nak Mutant, Nak-Etpp, Cs+ Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs203

b:47.2
occ:0.13
OG1 B:THR63 2.8 31.1 1.0
O B:THR63 3.2 30.0 1.0
CB B:THR63 3.6 34.1 1.0
C B:THR63 3.9 31.5 1.0
CS B:CS202 3.9 52.8 0.1
CA B:THR63 4.4 31.4 1.0
O B:HOH314 4.6 44.0 0.2
N B:VAL64 4.8 27.5 1.0
CG2 B:THR63 4.8 36.0 1.0
O B:THR62 5.0 29.5 1.0

Reference:

L.M.Napolitano, I.Bisha, M.De March, A.Marchesi, M.Arcangeletti, N.Demitri, M.Mazzolini, A.Rodriguez, A.Magistrato, S.Onesti, A.Laio, V.Torre. A Structural, Functional, and Computational Analysis Suggests Pore Flexibility As the Base For the Poor Selectivity of Cng Channels. Proc.Natl.Acad.Sci.Usa V. 112 E3619 2015.
ISSN: ISSN 0027-8424
PubMed: 26100907
DOI: 10.1073/PNAS.1503334112
Page generated: Sun Dec 13 10:56:36 2020

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