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Barium in PDB 6kl7: Beta-Arrestin 1 Mutant S13D/T275D

Protein crystallography data

The structure of Beta-Arrestin 1 Mutant S13D/T275D, PDB code: 6kl7 was solved by H.Kang, H.J.Choi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.10 / 2.79
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 62.441, 76.835, 119.456, 90.00, 100.93, 90.00
R / Rfree (%) 21.8 / 27.4

Barium Binding Sites:

The binding sites of Barium atom in the Beta-Arrestin 1 Mutant S13D/T275D (pdb code 6kl7). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 5 binding sites of Barium where determined in the Beta-Arrestin 1 Mutant S13D/T275D, PDB code: 6kl7:
Jump to Barium binding site number: 1; 2; 3; 4; 5;

Barium binding site 1 out of 5 in 6kl7

Go back to Barium Binding Sites List in 6kl7
Barium binding site 1 out of 5 in the Beta-Arrestin 1 Mutant S13D/T275D


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Beta-Arrestin 1 Mutant S13D/T275D within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba1001

b:0.7
occ:1.00
O A:THR273 2.8 89.4 1.0
OE1 A:GLU256 3.4 0.0 1.0
OG1 A:THR273 3.5 90.3 1.0
C A:THR273 3.9 78.8 1.0
CD A:GLU256 4.4 0.7 1.0
CB A:THR273 4.6 62.8 1.0
CA A:THR273 4.6 79.4 1.0
OE2 A:GLU256 4.7 0.7 1.0
N A:THR273 4.7 72.2 1.0
N A:LEU274 4.8 79.8 1.0
CA A:LEU274 4.9 84.8 1.0

Barium binding site 2 out of 5 in 6kl7

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Barium binding site 2 out of 5 in the Beta-Arrestin 1 Mutant S13D/T275D


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Beta-Arrestin 1 Mutant S13D/T275D within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba1002

b:0.3
occ:1.00
O A:THR186 2.9 93.8 1.0
C A:THR186 4.1 66.2 1.0
OE2 A:GLU185 4.2 0.5 1.0
N A:THR186 4.3 72.3 1.0
OG1 A:THR186 4.6 91.7 1.0
CA A:THR186 4.8 72.4 1.0

Barium binding site 3 out of 5 in 6kl7

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Barium binding site 3 out of 5 in the Beta-Arrestin 1 Mutant S13D/T275D


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Beta-Arrestin 1 Mutant S13D/T275D within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba1003

b:0.1
occ:1.00
OE2 A:GLU110 3.0 0.2 1.0
CD A:GLU110 4.0 0.8 1.0
OE1 A:GLU110 4.4 1.0 1.0

Barium binding site 4 out of 5 in 6kl7

Go back to Barium Binding Sites List in 6kl7
Barium binding site 4 out of 5 in the Beta-Arrestin 1 Mutant S13D/T275D


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 4 of Beta-Arrestin 1 Mutant S13D/T275D within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ba1001

b:0.5
occ:1.00
O B:THR273 3.1 81.7 1.0
OG1 B:THR273 3.4 87.5 1.0
OE1 B:GLU256 4.1 0.2 1.0
C B:THR273 4.2 80.6 1.0
CD B:GLU256 4.6 0.1 1.0
CB B:THR273 4.6 76.1 1.0
N B:THR273 4.7 69.7 1.0
OE2 B:GLU256 4.8 0.9 1.0
CA B:THR273 4.8 85.2 1.0

Barium binding site 5 out of 5 in 6kl7

Go back to Barium Binding Sites List in 6kl7
Barium binding site 5 out of 5 in the Beta-Arrestin 1 Mutant S13D/T275D


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 5 of Beta-Arrestin 1 Mutant S13D/T275D within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ba1002

b:0.3
occ:1.00
O B:THR186 3.2 0.1 1.0
OE2 B:GLU185 3.6 0.9 1.0
C B:THR186 4.4 61.6 1.0
CD B:GLU185 4.6 0.9 1.0
N B:THR186 4.8 79.4 1.0
OE1 B:GLU185 5.0 0.5 1.0

Reference:

H.Kang, H.S.Yang, A.Y.Ki, S.B.Ko, K.W.Kim, C.Y.Shim, K.Kim, H.J.Choi, K.Y.Chung. Conformational Dynamics and Functional Implications of Phosphorylated Beta-Arrestins. Structure 2020.
ISSN: ISSN 0969-2126
PubMed: 31948726
DOI: 10.1016/J.STR.2019.12.008
Page generated: Wed Jul 10 15:57:34 2024

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