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Iron in PDB 3gln: Carbonmonoxy Ngb Under Xenon Pressure

Protein crystallography data

The structure of Carbonmonoxy Ngb Under Xenon Pressure, PDB code: 3gln 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) 31.47 / 2.26
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 88.680, 88.680, 109.830, 90.00, 90.00, 120.00
R / Rfree (%) 19.2 / 25.4

Other elements in 3gln:

The structure of Carbonmonoxy Ngb Under Xenon Pressure also contains other interesting chemical elements:

Xenon (Xe) 5 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Carbonmonoxy Ngb Under Xenon Pressure (pdb code 3gln). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Carbonmonoxy Ngb Under Xenon Pressure, PDB code: 3gln:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3gln

Go back to Iron Binding Sites List in 3gln
Iron binding site 1 out of 2 in the Carbonmonoxy Ngb Under Xenon Pressure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Carbonmonoxy Ngb Under Xenon Pressure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe158

b:31.4
occ:0.83
FE A:HEM158 0.0 31.4 0.8
NC A:HEM158 1.4 28.4 0.2
C1C A:HEM158 1.5 28.8 0.2
CHC A:HEM158 1.7 29.3 0.2
C A:CMO157 1.8 31.8 0.8
C4B A:HEM158 1.9 29.7 0.2
NE2 A:HIS96 2.0 49.7 0.2
NB A:HEM158 2.0 29.4 0.2
NA A:HEM158 2.1 32.9 0.8
NE2 A:HIS96 2.1 49.5 0.8
NC A:HEM158 2.1 33.0 0.8
NB A:HEM158 2.1 33.9 0.8
ND A:HEM158 2.1 33.3 0.8
FE A:HEM158 2.3 28.1 0.2
C4C A:HEM158 2.7 28.5 0.2
CE1 A:HIS96 2.8 49.8 0.2
C2C A:HEM158 2.8 29.3 0.2
O A:CMO157 2.8 31.9 0.8
CD2 A:HIS96 3.0 49.9 0.2
CE1 A:HIS96 3.0 48.8 0.8
C4A A:HEM158 3.1 32.7 0.8
C1C A:HEM158 3.1 29.6 0.8
C4B A:HEM158 3.1 30.6 0.8
CD2 A:HIS96 3.1 49.0 0.8
C1A A:HEM158 3.1 33.6 0.8
C4D A:HEM158 3.1 34.4 0.8
C1B A:HEM158 3.1 30.8 0.8
C4C A:HEM158 3.1 33.0 0.8
C1D A:HEM158 3.2 32.5 0.8
C3B A:HEM158 3.3 30.6 0.2
C1B A:HEM158 3.3 29.9 0.2
C3C A:HEM158 3.3 29.0 0.2
CHC A:HEM158 3.4 31.4 0.8
CHB A:HEM158 3.4 30.2 0.8
CHA A:HEM158 3.5 34.2 0.8
CHD A:HEM158 3.5 30.8 0.8
ND A:HEM158 3.7 27.9 0.2
CHD A:HEM158 3.7 28.2 0.2
NA A:HEM158 3.8 28.8 0.2
ND1 A:HIS96 3.8 49.8 0.2
C2B A:HEM158 3.9 30.6 0.2
CG A:HIS96 4.0 50.2 0.2
CMC A:HEM158 4.0 29.7 0.2
C1D A:HEM158 4.1 27.2 0.2
ND1 A:HIS96 4.1 48.9 0.8
CG A:HIS96 4.2 49.2 0.8
CHB A:HEM158 4.3 29.4 0.2
NE2 A:HIS64 4.3 24.0 0.8
C3A A:HEM158 4.3 33.1 0.8
C2C A:HEM158 4.3 30.7 0.8
C3B A:HEM158 4.3 32.2 0.8
C3C A:HEM158 4.3 31.0 0.8
C2A A:HEM158 4.3 34.3 0.8
C2B A:HEM158 4.3 31.5 0.8
CAB A:HEM158 4.4 31.6 0.2
C3D A:HEM158 4.4 32.0 0.8
C2D A:HEM158 4.4 32.5 0.8
C4A A:HEM158 4.5 29.3 0.2
CBB A:HEM158 4.5 31.8 0.2
CE1 A:HIS64 4.7 24.6 0.8
NE2 A:HIS64 4.8 20.2 0.2
CAC A:HEM158 4.8 29.6 0.2
C4D A:HEM158 4.9 27.1 0.2

Iron binding site 2 out of 2 in 3gln

Go back to Iron Binding Sites List in 3gln
Iron binding site 2 out of 2 in the Carbonmonoxy Ngb Under Xenon Pressure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Carbonmonoxy Ngb Under Xenon Pressure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe158

b:28.1
occ:0.17
FE A:HEM158 0.0 28.1 0.2
NA A:HEM158 1.8 32.9 0.8
C A:CMO157 1.9 31.8 0.8
C1A A:HEM158 1.9 33.6 0.8
CHA A:HEM158 2.0 34.2 0.8
ND A:HEM158 2.0 33.3 0.8
C4D A:HEM158 2.0 34.4 0.8
NC A:HEM158 2.1 28.4 0.2
NB A:HEM158 2.1 29.4 0.2
NA A:HEM158 2.1 28.8 0.2
ND A:HEM158 2.2 27.9 0.2
NE2 A:HIS64 2.2 24.0 0.8
FE A:HEM158 2.3 31.4 0.8
NE2 A:HIS64 2.8 20.2 0.2
O A:CMO157 2.8 31.9 0.8
C4A A:HEM158 3.0 32.7 0.8
NE2 A:HIS96 3.0 49.7 0.2
CE1 A:HIS64 3.0 24.6 0.8
C4C A:HEM158 3.1 28.5 0.2
C1C A:HEM158 3.1 28.8 0.2
C2A A:HEM158 3.1 34.3 0.8
C4A A:HEM158 3.1 29.3 0.2
C1B A:HEM158 3.1 29.9 0.2
C4B A:HEM158 3.1 29.7 0.2
C1D A:HEM158 3.1 27.2 0.2
C1A A:HEM158 3.2 28.5 0.2
C4D A:HEM158 3.2 27.1 0.2
C1D A:HEM158 3.3 32.5 0.8
CD2 A:HIS64 3.3 21.6 0.8
C3D A:HEM158 3.3 32.0 0.8
CHD A:HEM158 3.4 28.2 0.2
CHC A:HEM158 3.5 29.3 0.2
CHB A:HEM158 3.5 29.4 0.2
NE2 A:HIS96 3.5 49.5 0.8
C3A A:HEM158 3.5 33.1 0.8
CHA A:HEM158 3.6 27.6 0.2
CE1 A:HIS96 3.6 49.8 0.2
CE1 A:HIS64 3.7 20.2 0.2
CD2 A:HIS64 3.8 20.1 0.2
C2D A:HEM158 3.9 32.5 0.8
NB A:HEM158 3.9 33.9 0.8
CHB A:HEM158 3.9 30.2 0.8
NC A:HEM158 4.0 33.0 0.8
CD2 A:HIS96 4.1 49.9 0.2
ND1 A:HIS64 4.2 23.5 0.8
CHD A:HEM158 4.2 30.8 0.8
CAA A:HEM158 4.2 38.4 0.8
C2C A:HEM158 4.3 29.3 0.2
CE1 A:HIS96 4.3 48.8 0.8
C3C A:HEM158 4.3 29.0 0.2
C3A A:HEM158 4.3 29.6 0.2
CBA A:HEM158 4.3 39.6 0.8
C2B A:HEM158 4.3 30.6 0.2
C3B A:HEM158 4.3 30.6 0.2
C2A A:HEM158 4.3 29.4 0.2
C1B A:HEM158 4.4 30.8 0.8
CG A:HIS64 4.4 22.3 0.8
CG2 A:VAL68 4.4 24.6 1.0
C2D A:HEM158 4.4 26.8 0.2
CD2 A:HIS96 4.4 49.0 0.8
C3D A:HEM158 4.4 26.4 0.2
CAD A:HEM158 4.5 33.0 0.8
C4C A:HEM158 4.5 33.0 0.8
CE1 A:PHE42 4.6 28.4 1.0
ND1 A:HIS64 4.8 20.5 0.2
ND1 A:HIS96 4.8 49.8 0.2
CG A:HIS64 4.9 20.2 0.2
CZ A:PHE42 5.0 29.9 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 Dec 13 15:06:49 2020

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