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Magnesium in PDB 4f20: Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb

Protein crystallography data

The structure of Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb, PDB code: 4f20 was solved by M.J.Yang, H.Xiang, J.W.Wang, B.Liu, Y.G.Chen, L.Liu, X.M.Deng, Y.Feng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.37 / 2.50
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 70.088, 70.088, 175.760, 90.00, 90.00, 120.00
R / Rfree (%) 22.4 / 27

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb (pdb code 4f20). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb, PDB code: 4f20:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4f20

Go back to Magnesium Binding Sites List in 4f20
Magnesium binding site 1 out of 2 in the Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:0.3
occ:1.00
O A:ALA347 2.4 0.7 1.0
O A:VAL219 3.2 0.2 1.0
C A:ALA347 3.6 0.2 1.0
O A:ASN216 3.8 0.7 1.0
CB A:ALA347 3.8 0.1 1.0
OE1 A:GLU349 4.1 0.6 1.0
CB A:GLU349 4.1 0.1 1.0
C A:VAL219 4.3 0.1 1.0
CA A:ALA347 4.3 0.7 1.0
CA A:THR220 4.4 0.0 1.0
C A:ASP348 4.4 0.2 1.0
O A:ASP348 4.4 0.6 1.0
N A:ASP348 4.6 0.1 1.0
N A:GLU349 4.6 0.1 1.0
O A:ILE346 4.6 0.6 1.0
CB A:THR220 4.7 0.9 1.0
CB A:ASP348 4.7 0.1 1.0
CA A:ASP348 4.8 0.3 1.0
N A:THR220 4.8 0.4 1.0
C A:ASN216 4.8 0.1 1.0
CD A:GLU349 4.9 1.0 1.0
CA A:GLU349 4.9 1.0 1.0

Magnesium binding site 2 out of 2 in 4f20

Go back to Magnesium Binding Sites List in 4f20
Magnesium binding site 2 out of 2 in the Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:0.4
occ:1.00
O A:TYR470 2.9 0.2 1.0
O A:TYR468 3.0 0.8 1.0
N A:ASN472 3.2 0.3 1.0
O A:VAL424 3.3 0.4 1.0
CA A:ASP471 3.6 0.3 1.0
C A:TYR470 3.7 0.1 1.0
C A:ASP471 3.9 0.7 1.0
C A:TYR468 4.1 0.5 1.0
N A:ASP471 4.1 0.6 1.0
CA A:ASN472 4.2 0.4 1.0
CB A:SER425 4.3 99.7 1.0
O A:LYS469 4.4 1.0 1.0
N A:VAL473 4.5 97.4 1.0
C A:VAL424 4.5 0.2 1.0
C A:LYS469 4.6 0.3 1.0
CA A:SER425 4.6 98.2 1.0
OD1 A:ASP471 4.7 0.1 1.0
CB A:ASP471 4.7 0.8 1.0
CB A:TYR468 4.8 0.2 1.0
CA A:TYR468 4.8 0.5 1.0
N A:TYR470 4.8 0.4 1.0
O A:VAL473 4.8 0.8 1.0
CA A:TYR470 4.9 0.9 1.0
C A:ASN472 4.9 0.3 1.0

Reference:

H.Xiang, Y.Feng, J.W.Wang, B.Liu, Y.G.Chen, L.Liu, X.M.Deng, M.J.Yang. Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus Aureus Clfb Plos Pathog. V. 8 02751 2012.
ISSN: ISSN 1553-7366
PubMed: 22719251
DOI: 10.1371/JOURNAL.PPAT.1002751
Page generated: Mon Dec 14 14:44:04 2020

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