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Manganese in PDB 4neb: Previously De-Ionized Hew Lysozyme Batch Crystallized in 0.5 M MNCL2

Enzymatic activity of Previously De-Ionized Hew Lysozyme Batch Crystallized in 0.5 M MNCL2

All present enzymatic activity of Previously De-Ionized Hew Lysozyme Batch Crystallized in 0.5 M MNCL2:
3.2.1.17;

Protein crystallography data

The structure of Previously De-Ionized Hew Lysozyme Batch Crystallized in 0.5 M MNCL2, PDB code: 4neb was solved by P.Benas, L.Legrand, M.Ries-Kautt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.31 / 1.48
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.186, 79.186, 37.715, 90.00, 90.00, 90.00
R / Rfree (%) 12.2 / 15.1

Other elements in 4neb:

The structure of Previously De-Ionized Hew Lysozyme Batch Crystallized in 0.5 M MNCL2 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Manganese Binding Sites:

The binding sites of Manganese atom in the Previously De-Ionized Hew Lysozyme Batch Crystallized in 0.5 M MNCL2 (pdb code 4neb). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Previously De-Ionized Hew Lysozyme Batch Crystallized in 0.5 M MNCL2, PDB code: 4neb:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 4neb

Go back to Manganese Binding Sites List in 4neb
Manganese binding site 1 out of 2 in the Previously De-Ionized Hew Lysozyme Batch Crystallized in 0.5 M MNCL2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Previously De-Ionized Hew Lysozyme Batch Crystallized in 0.5 M MNCL2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn201

b:23.8
occ:0.31
O A:HOH301 1.9 27.5 0.5
O A:HOH304 2.0 31.4 0.6
O A:HOH302 2.0 27.0 0.6
O A:HOH303 2.0 32.0 0.7
OD2 A:ASP52 2.2 24.8 1.0
CG A:ASP52 3.2 16.9 1.0
MN A:MN202 3.2 29.7 0.5
O A:HOH308 3.4 33.3 0.5
O A:HOH305 3.5 27.3 0.6
OD1 A:ASP52 3.6 19.2 1.0
CB A:ASP52 4.3 14.6 1.0
O A:GLN57 4.3 16.5 1.0
OE1 A:GLU35 4.5 18.6 1.0
OD1 A:ASN46 4.5 29.7 1.0
O A:HOH306 4.6 31.6 0.6
CB A:GLN57 4.8 14.0 1.0

Manganese binding site 2 out of 2 in 4neb

Go back to Manganese Binding Sites List in 4neb
Manganese binding site 2 out of 2 in the Previously De-Ionized Hew Lysozyme Batch Crystallized in 0.5 M MNCL2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Previously De-Ionized Hew Lysozyme Batch Crystallized in 0.5 M MNCL2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn202

b:29.7
occ:0.49
O A:HOH306 2.0 31.6 0.6
O A:HOH301 2.0 27.5 0.5
O A:HOH305 2.0 27.3 0.6
OE1 A:GLU35 2.3 18.6 1.0
MN A:MN201 3.2 23.8 0.3
CD A:GLU35 3.4 17.6 1.0
O A:HOH303 3.7 32.0 0.7
O A:HOH309 3.8 27.0 0.6
OE2 A:GLU35 3.8 19.7 1.0
OD2 A:ASP52 4.1 24.8 1.0
O A:HOH302 4.1 27.0 0.6
CB A:GLN57 4.3 14.0 1.0
CG A:GLN57 4.3 13.4 1.0
OE1 A:GLN57 4.4 15.8 1.0
CG A:GLU35 4.7 15.7 1.0
O A:GLU35 4.7 15.2 1.0
CA A:GLU35 4.7 12.1 1.0
CB A:GLU35 4.9 14.1 1.0
CD A:GLN57 4.9 13.8 1.0
O A:HOH308 5.0 33.3 0.5

Reference:

P.Benas, N.Auzeil, L.Legrand, F.Brachet, A.Regazzetti, M.Ries-Kautt. Weak Protein-Cationic Co-Ion Interactions Addressed By X-Ray Crystallography and Mass Spectrometry. Acta Crystallogr.,Sect.D V. 70 2217 2014.
ISSN: ISSN 0907-4449
PubMed: 25084340
DOI: 10.1107/S1399004714011304
Page generated: Tue Dec 15 04:24:58 2020

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