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Caesium in PDB 3vy9: Crystal Structure of Porb From Neisseria Meningitidis in Complex with Cesium Ion, Space Group H32

Protein crystallography data

The structure of Crystal Structure of Porb From Neisseria Meningitidis in Complex with Cesium Ion, Space Group H32, PDB code: 3vy9 was solved by C.Kattner, J.Zaucha, F.Jaenecke, U.Zachariae, M.Tanabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.63
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 144.208, 144.208, 106.411, 90.00, 90.00, 120.00
R / Rfree (%) 23.5 / 28.1

Caesium Binding Sites:

The binding sites of Caesium atom in the Crystal Structure of Porb From Neisseria Meningitidis in Complex with Cesium Ion, Space Group H32 (pdb code 3vy9). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 4 binding sites of Caesium where determined in the Crystal Structure of Porb From Neisseria Meningitidis in Complex with Cesium Ion, Space Group H32, PDB code: 3vy9:
Jump to Caesium binding site number: 1; 2; 3; 4;

Caesium binding site 1 out of 4 in 3vy9

Go back to Caesium Binding Sites List in 3vy9
Caesium binding site 1 out of 4 in the Crystal Structure of Porb From Neisseria Meningitidis in Complex with Cesium Ion, Space Group H32


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 Porb From Neisseria Meningitidis in Complex with Cesium Ion, Space Group H32 within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Cs401

b:70.7
occ:0.70
O X:GLY125 3.1 43.5 1.0
O X:GLU128 3.2 45.9 1.0
C X:GLY125 4.0 47.4 1.0
C X:GLU128 4.1 43.3 1.0
CB X:GLU128 4.3 45.9 1.0
CA X:ARG126 4.4 42.7 1.0
N X:GLU128 4.5 45.6 1.0
CA X:GLU128 4.5 46.0 1.0
N X:ARG126 4.6 45.6 1.0
O X:ARG126 4.6 49.7 1.0
C X:ARG126 4.7 46.5 1.0
CA X:GLY125 4.9 45.6 1.0

Caesium binding site 2 out of 4 in 3vy9

Go back to Caesium Binding Sites List in 3vy9
Caesium binding site 2 out of 4 in the Crystal Structure of Porb From Neisseria Meningitidis in Complex with Cesium Ion, Space Group H32


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 Porb From Neisseria Meningitidis in Complex with Cesium Ion, Space Group H32 within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Cs402

b:65.6
occ:0.60
OE2 X:GLU131 2.5 53.3 1.0
O X:ARG130 2.8 44.5 1.0
CD X:GLU131 3.4 54.7 1.0
OE1 X:GLU131 3.6 58.8 1.0
C X:ARG130 4.0 39.9 1.0
CA X:GLU131 4.5 41.4 1.0
CG X:GLU131 4.6 50.3 1.0
CB X:SER129 4.7 42.0 1.0
N X:GLU131 4.7 38.8 1.0
OG X:SER129 4.8 44.3 1.0
N X:ARG130 4.8 40.4 1.0
CA X:ARG130 5.0 41.8 1.0

Caesium binding site 3 out of 4 in 3vy9

Go back to Caesium Binding Sites List in 3vy9
Caesium binding site 3 out of 4 in the Crystal Structure of Porb From Neisseria Meningitidis in Complex with Cesium Ion, Space Group H32


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 Porb From Neisseria Meningitidis in Complex with Cesium Ion, Space Group H32 within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Cs403

b:47.0
occ:0.25
O X:TRP109 2.8 49.4 1.0
OE1 X:GLU110 3.3 60.8 1.0
CD X:GLU110 3.6 52.8 1.0
OE2 X:GLU110 3.6 58.7 1.0
C X:TRP109 4.0 48.3 1.0
O X:ASN107 4.4 50.6 1.0
CA X:GLU110 4.4 47.3 1.0
CG X:GLU110 4.6 46.1 1.0
O X:ALA108 4.6 52.4 1.0
N X:GLU110 4.6 47.2 1.0
NZ X:LYS9 4.7 35.3 1.0
C X:ALA108 4.7 51.5 1.0
N X:TRP109 4.8 53.0 1.0
ND2 X:ASN107 4.9 44.7 1.0

Caesium binding site 4 out of 4 in 3vy9

Go back to Caesium Binding Sites List in 3vy9
Caesium binding site 4 out of 4 in the Crystal Structure of Porb From Neisseria Meningitidis in Complex with Cesium Ion, Space Group H32


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 Porb From Neisseria Meningitidis in Complex with Cesium Ion, Space Group H32 within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Cs404

b:78.8
occ:0.30
OD1 X:ASN114 3.6 53.1 1.0
O X:ASN114 3.9 57.1 1.0
CG2 X:VAL17 4.1 53.7 1.0
NE2 X:GLN330 4.2 55.8 1.0
OE1 X:GLN330 4.2 62.2 1.0
CD X:GLN330 4.2 57.5 1.0
CG X:ASN114 4.5 47.9 1.0
ND2 X:ASN114 4.8 42.1 1.0
C X:ASN114 5.0 51.6 1.0

Reference:

C.Kattner, J.Zaucha, F.Jaenecke, U.Zachariae, M.Tanabe. Identification of A Cation Transport Pathway in Neisseria Meningitidis Porb. Proteins V. 81 830 2013.
ISSN: ISSN 0887-3585
PubMed: 23255122
DOI: 10.1002/PROT.24241
Page generated: Sun Dec 13 10:56:08 2020

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