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Krypton in PDB 3gkt: Crystal Structure of Murine Neuroglobin Under Kr Pressure

Protein crystallography data

The structure of Crystal Structure of Murine Neuroglobin Under Kr Pressure, PDB code: 3gkt was solved by T.Moschetti, U.Mueller, J.Schultze, M.Brunori, B.Vallone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.55 / 1.86
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 88.800, 88.800, 113.500, 90.00, 90.00, 120.00
R / Rfree (%) 17.3 / 20.8

Other elements in 3gkt:

The structure of Crystal Structure of Murine Neuroglobin Under Kr Pressure also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Krypton Binding Sites:

The binding sites of Krypton atom in the Crystal Structure of Murine Neuroglobin Under Kr Pressure (pdb code 3gkt). This binding sites where shown within 5.0 Angstroms radius around Krypton atom.
In total 2 binding sites of Krypton where determined in the Crystal Structure of Murine Neuroglobin Under Kr Pressure, PDB code: 3gkt:
Jump to Krypton binding site number: 1; 2;

Krypton binding site 1 out of 2 in 3gkt

Go back to Krypton Binding Sites List in 3gkt
Krypton binding site 1 out of 2 in the Crystal Structure of Murine Neuroglobin Under Kr Pressure


Mono view


Stereo pair view

A full contact list of Krypton with other atoms in the Kr binding site number 1 of Crystal Structure of Murine Neuroglobin Under Kr Pressure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Kr153

b:43.2
occ:0.47
CG2 A:ILE72 3.9 26.7 1.0
CA A:TYR137 3.9 30.7 1.0
CG A:LEU136 4.0 31.7 1.0
CZ3 A:TRP133 4.0 27.0 1.0
N A:TYR137 4.1 31.3 1.0
CG2 A:VAL140 4.1 27.8 1.0
CD2 A:LEU136 4.2 34.1 1.0
CB A:TYR137 4.2 29.3 1.0
CD1 A:TYR137 4.2 29.9 1.0
CD2 A:LEU113 4.2 21.8 1.0
CB A:ALA75 4.3 26.8 1.0
CE3 A:TRP133 4.3 27.7 1.0
C A:LEU136 4.4 32.4 1.0
CG1 A:ILE72 4.4 25.2 1.0
O A:LEU136 4.5 33.2 1.0
CB A:ILE72 4.6 25.3 1.0
CB A:LEU136 4.7 33.2 1.0
CG A:TYR137 4.7 28.8 1.0
CB A:VAL140 4.8 28.0 1.0
CA A:ILE72 4.9 26.2 1.0
CD1 A:LEU136 5.0 33.9 1.0

Krypton binding site 2 out of 2 in 3gkt

Go back to Krypton Binding Sites List in 3gkt
Krypton binding site 2 out of 2 in the Crystal Structure of Murine Neuroglobin Under Kr Pressure


Mono view


Stereo pair view

A full contact list of Krypton with other atoms in the Kr binding site number 2 of Crystal Structure of Murine Neuroglobin Under Kr Pressure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Kr154

b:41.0
occ:0.32
O A:HOH226 2.1 43.2 1.0
OG A:SER55 3.3 27.2 1.0
CD2 A:LEU56 3.3 31.1 1.0
CD2 A:PHE32 3.5 25.0 1.0
N A:ALA29 3.5 20.8 1.0
CG A:LEU56 3.6 27.4 1.0
C A:PHE28 3.7 22.6 1.0
CA A:ALA29 3.7 22.3 1.0
O A:PHE28 3.7 23.3 1.0
CE2 A:PHE32 3.7 23.5 1.0
CB A:PHE28 4.0 23.5 1.0
O A:PRO52 4.1 27.7 1.0
CE2 A:PHE61 4.1 27.0 1.0
CD1 A:LEU56 4.1 31.2 1.0
CZ A:PHE61 4.3 27.4 1.0
CB A:ALA29 4.4 21.4 1.0
CA A:PHE28 4.5 23.1 1.0
O A:HOH211 4.5 23.0 0.6
CB A:SER55 4.6 23.5 1.0
O A:THR25 4.7 22.1 1.0
CG A:PHE32 4.7 21.6 1.0
C A:PRO52 4.8 26.5 1.0
CB A:PRO52 5.0 28.4 1.0

Reference:

T.Moschetti, U.Mueller, J.Schulze, M.Brunori, B.Vallone. The Structure of Neuroglobin at High Xe and Kr Pressure Reveals Partial Conservation of Globin Internal Cavities. Biophys. J. V. 97 1700 2009.
ISSN: ESSN 1542-0086
PubMed: 19751675
DOI: 10.1016/J.BPJ.2009.05.059
Page generated: Sun Jan 24 17:57:36 2021

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