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Manganese in PDB 6nlr: Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes with Trinuclear Metals Determined By Pixe Revealing Sulphate Ion in Active Site. Based on Pixe Analysis and Original Date From 3DCP

Enzymatic activity of Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes with Trinuclear Metals Determined By Pixe Revealing Sulphate Ion in Active Site. Based on Pixe Analysis and Original Date From 3DCP

All present enzymatic activity of Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes with Trinuclear Metals Determined By Pixe Revealing Sulphate Ion in Active Site. Based on Pixe Analysis and Original Date From 3DCP:
3.1.3.15;

Protein crystallography data

The structure of Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes with Trinuclear Metals Determined By Pixe Revealing Sulphate Ion in Active Site. Based on Pixe Analysis and Original Date From 3DCP, PDB code: 6nlr was solved by E.H.Snell, E.F.Garman, E.D.Lowe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.60 / 2.10
Space group P 64
Cell size a, b, c (Å), α, β, γ (°) 191.278, 191.278, 48.051, 90.00, 90.00, 120.00
R / Rfree (%) 15.5 / 18.6

Other elements in 6nlr:

The structure of Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes with Trinuclear Metals Determined By Pixe Revealing Sulphate Ion in Active Site. Based on Pixe Analysis and Original Date From 3DCP also contains other interesting chemical elements:

Cobalt (Co) 3 atoms
Iron (Fe) 3 atoms
Calcium (Ca) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes with Trinuclear Metals Determined By Pixe Revealing Sulphate Ion in Active Site. Based on Pixe Analysis and Original Date From 3DCP (pdb code 6nlr). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes with Trinuclear Metals Determined By Pixe Revealing Sulphate Ion in Active Site. Based on Pixe Analysis and Original Date From 3DCP, PDB code: 6nlr:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in 6nlr

Go back to Manganese Binding Sites List in 6nlr
Manganese binding site 1 out of 3 in the Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes with Trinuclear Metals Determined By Pixe Revealing Sulphate Ion in Active Site. Based on Pixe Analysis and Original Date From 3DCP


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes with Trinuclear Metals Determined By Pixe Revealing Sulphate Ion in Active Site. Based on Pixe Analysis and Original Date From 3DCP within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn301

b:27.7
occ:0.83
O2 A:SO4304 1.9 36.4 1.0
CE1 A:HIS14 2.1 38.4 1.0
NE2 A:HIS40 2.1 29.9 1.0
NE2 A:HIS260 2.2 29.1 1.0
O1 A:SO4304 2.8 36.2 1.0
NE2 A:HIS14 2.9 43.1 1.0
S A:SO4304 2.9 56.2 1.0
CE1 A:HIS260 3.1 28.8 1.0
CD2 A:HIS40 3.1 28.9 1.0
CE1 A:HIS40 3.1 28.3 1.0
CD2 A:HIS260 3.2 30.0 1.0
ND1 A:HIS14 3.2 37.9 1.0
SG A:CYS12 3.8 34.4 1.0
O3 A:SO4304 3.9 39.2 1.0
O4 A:SO4304 3.9 49.5 1.0
CE1 A:HIS8 4.1 23.0 1.0
CD2 A:HIS14 4.1 40.3 1.0
NE2 A:HIS8 4.1 21.0 1.0
ND1 A:HIS260 4.2 29.1 1.0
CG A:HIS40 4.2 27.6 1.0
ND1 A:HIS40 4.2 32.1 1.0
ND1 A:HIS8 4.2 22.4 1.0
CD2 A:HIS8 4.3 23.8 1.0
CG A:HIS14 4.3 40.3 1.0
CG A:HIS260 4.3 28.5 1.0
CG A:HIS8 4.3 22.3 1.0
CO A:CO303 4.5 22.4 1.0

Manganese binding site 2 out of 3 in 6nlr

Go back to Manganese Binding Sites List in 6nlr
Manganese binding site 2 out of 3 in the Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes with Trinuclear Metals Determined By Pixe Revealing Sulphate Ion in Active Site. Based on Pixe Analysis and Original Date From 3DCP


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes with Trinuclear Metals Determined By Pixe Revealing Sulphate Ion in Active Site. Based on Pixe Analysis and Original Date From 3DCP within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn302

b:16.4
occ:0.78
O A:HOH424 1.8 18.5 1.0
OE2 A:GLU93 2.1 21.6 1.0
NE2 A:HIS123 2.1 23.4 1.0
NE2 A:HIS181 2.1 21.8 1.0
O4 A:SO4304 2.3 49.5 1.0
O A:HOH401 2.3 43.0 1.0
CE1 A:HIS123 3.0 22.5 1.0
CD A:GLU93 3.0 20.5 1.0
CD2 A:HIS123 3.1 21.5 1.0
CE1 A:HIS181 3.1 24.7 1.0
CD2 A:HIS181 3.1 22.6 1.0
S A:SO4304 3.3 56.2 1.0
OE1 A:GLU93 3.3 19.2 1.0
O1 A:SO4304 3.5 36.2 1.0
CO A:CO303 3.6 22.4 1.0
O3 A:SO4304 3.9 39.2 1.0
OG A:SER121 4.1 23.3 1.0
ND1 A:HIS123 4.1 23.7 1.0
CB A:SER121 4.2 21.1 1.0
CG A:HIS123 4.2 21.7 1.0
ND1 A:HIS181 4.3 19.9 1.0
OD2 A:ASP258 4.3 25.7 1.0
CG A:HIS181 4.3 22.4 1.0
CE1 A:HIS40 4.4 28.3 1.0
CG A:GLU93 4.4 20.7 1.0
CE1 A:HIS6 4.5 25.6 1.0
O2 A:SO4304 4.5 36.4 1.0
NE2 A:HIS6 4.6 24.1 1.0
O A:HOH544 4.7 30.6 0.6
OD2 A:ASP135 4.7 35.6 1.0

Manganese binding site 3 out of 3 in 6nlr

Go back to Manganese Binding Sites List in 6nlr
Manganese binding site 3 out of 3 in the Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes with Trinuclear Metals Determined By Pixe Revealing Sulphate Ion in Active Site. Based on Pixe Analysis and Original Date From 3DCP


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes with Trinuclear Metals Determined By Pixe Revealing Sulphate Ion in Active Site. Based on Pixe Analysis and Original Date From 3DCP within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn301

b:28.6
occ:0.86
O1 C:SO4305 1.9 42.7 1.0
NE2 C:HIS14 2.1 35.6 1.0
NE2 C:HIS40 2.2 29.9 1.0
CE1 C:HIS260 2.2 29.5 1.0
O2 C:SO4305 2.7 47.7 1.0
S C:SO4305 2.8 55.2 1.0
NE2 C:HIS260 2.9 29.5 1.0
CE1 C:HIS14 3.1 37.1 1.0
CD2 C:HIS14 3.1 35.1 1.0
CE1 C:HIS40 3.1 30.7 1.0
CD2 C:HIS40 3.1 31.3 1.0
ND1 C:HIS260 3.3 37.1 1.0
SG C:CYS12 3.8 34.8 1.0
O4 C:SO4305 3.8 48.5 1.0
O3 C:SO4305 3.8 35.8 1.0
CE1 C:HIS8 4.1 21.3 1.0
NE2 C:HIS8 4.2 22.3 1.0
CD2 C:HIS260 4.2 27.9 1.0
ND1 C:HIS14 4.2 34.2 1.0
ND1 C:HIS40 4.3 30.6 1.0
CG C:HIS14 4.3 35.5 1.0
CG C:HIS40 4.3 30.7 1.0
ND1 C:HIS8 4.3 20.6 1.0
CD2 C:HIS8 4.3 22.2 1.0
CG C:HIS260 4.4 27.5 1.0
CG C:HIS8 4.4 20.2 1.0
CO C:CO302 4.5 22.2 1.0
O C:HOH413 4.8 37.4 1.0

Reference:

G.W.Grime, O.Zeldin, M.E.Snell, E.D.Lowe, J.F.Hunt, G.T.Montelione, L.Tong, E.H.Snell, E.F.Garman. High-Throughput Pixe As An Essential Quantitative Assay For Accurate Metalloprotein Structural Analysis; Development and Application. J.Am.Chem.Soc. 2019.
ISSN: ESSN 1520-5126
PubMed: 31794207
DOI: 10.1021/JACS.9B09186
Page generated: Sun Oct 6 05:36:19 2024

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