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Iron in PDB 2vee: Structure of Protoglobin From Methanosarcina Acetivorans C2A

Protein crystallography data

The structure of Structure of Protoglobin From Methanosarcina Acetivorans C2A, PDB code: 2vee was solved by M.Nardini, A.Pesce, L.Thijs, J.A.Saito, S.Dewilde, M.Alam, P.Ascenzi, M.Coletta, C.Ciaccio, L.Moens, M.Bolognesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 160.13 / 2.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 101.930, 48.531, 161.072, 90.00, 98.44, 90.00
R / Rfree (%) 20.5 / 26.3

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Protoglobin From Methanosarcina Acetivorans C2A (pdb code 2vee). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Structure of Protoglobin From Methanosarcina Acetivorans C2A, PDB code: 2vee:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 2vee

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Iron binding site 1 out of 8 in the Structure of Protoglobin From Methanosarcina Acetivorans C2A


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Protoglobin From Methanosarcina Acetivorans C2A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1196

b:19.7
occ:1.00
FE A:HEM1196 0.0 19.7 1.0
NC A:HEM1196 2.0 20.1 1.0
ND A:HEM1196 2.0 20.3 1.0
NA A:HEM1196 2.1 19.2 1.0
NB A:HEM1196 2.1 19.8 1.0
NE2 A:HIS120 2.2 20.0 1.0
C4C A:HEM1196 3.0 20.9 1.0
C1D A:HEM1196 3.0 20.8 1.0
C1C A:HEM1196 3.0 20.6 1.0
C4D A:HEM1196 3.0 20.5 1.0
C1A A:HEM1196 3.1 18.7 1.0
C4A A:HEM1196 3.1 19.8 1.0
C4B A:HEM1196 3.1 20.0 1.0
C1B A:HEM1196 3.1 20.0 1.0
CE1 A:HIS120 3.1 20.5 1.0
CD2 A:HIS120 3.2 21.2 1.0
CHD A:HEM1196 3.3 20.8 1.0
CHC A:HEM1196 3.4 20.6 1.0
CHA A:HEM1196 3.4 19.9 1.0
CHB A:HEM1196 3.5 20.0 1.0
CE2 A:PHE93 4.1 33.6 1.0
C3C A:HEM1196 4.2 21.6 1.0
C2C A:HEM1196 4.2 21.1 1.0
C2D A:HEM1196 4.2 21.1 1.0
C3D A:HEM1196 4.2 20.9 1.0
ND1 A:HIS120 4.3 21.2 1.0
C3A A:HEM1196 4.3 19.4 1.0
C2A A:HEM1196 4.3 18.1 1.0
CG A:HIS120 4.3 22.1 1.0
C3B A:HEM1196 4.3 20.0 1.0
C2B A:HEM1196 4.3 20.3 1.0
CZ A:PHE93 4.7 32.9 1.0
CD2 A:PHE93 4.9 32.8 1.0

Iron binding site 2 out of 8 in 2vee

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Iron binding site 2 out of 8 in the Structure of Protoglobin From Methanosarcina Acetivorans C2A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Protoglobin From Methanosarcina Acetivorans C2A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1196

b:19.7
occ:1.00
FE B:HEM1196 0.0 19.7 1.0
NC B:HEM1196 2.0 20.2 1.0
NB B:HEM1196 2.0 19.9 1.0
ND B:HEM1196 2.1 20.3 1.0
NA B:HEM1196 2.1 19.2 1.0
NE2 B:HIS120 2.2 19.9 1.0
C1C B:HEM1196 3.0 20.8 1.0
C4C B:HEM1196 3.0 21.0 1.0
C1D B:HEM1196 3.0 20.7 1.0
CE1 B:HIS120 3.0 20.4 1.0
C4B B:HEM1196 3.0 20.1 1.0
C4D B:HEM1196 3.1 20.5 1.0
C1B B:HEM1196 3.1 20.1 1.0
C4A B:HEM1196 3.1 19.8 1.0
C1A B:HEM1196 3.1 18.7 1.0
CHC B:HEM1196 3.3 20.8 1.0
CD2 B:HIS120 3.4 21.2 1.0
CHD B:HEM1196 3.4 20.8 1.0
CHB B:HEM1196 3.4 19.9 1.0
CHA B:HEM1196 3.4 19.9 1.0
CE2 B:PHE93 4.1 33.6 1.0
ND1 B:HIS120 4.2 21.1 1.0
C2C B:HEM1196 4.2 21.3 1.0
C3C B:HEM1196 4.2 21.7 1.0
C2D B:HEM1196 4.2 21.1 1.0
C3D B:HEM1196 4.3 21.0 1.0
C3B B:HEM1196 4.3 20.2 1.0
C2B B:HEM1196 4.3 20.5 1.0
C3A B:HEM1196 4.3 19.4 1.0
C2A B:HEM1196 4.3 18.2 1.0
CG B:HIS120 4.4 22.1 1.0
CZ B:PHE93 4.7 32.9 1.0
CD2 B:PHE93 4.8 32.8 1.0

Iron binding site 3 out of 8 in 2vee

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Iron binding site 3 out of 8 in the Structure of Protoglobin From Methanosarcina Acetivorans C2A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Protoglobin From Methanosarcina Acetivorans C2A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1196

b:19.8
occ:1.00
FE C:HEM1196 0.0 19.8 1.0
NA C:HEM1196 2.0 19.3 1.0
NB C:HEM1196 2.0 20.1 1.0
NC C:HEM1196 2.0 20.2 1.0
ND C:HEM1196 2.1 20.2 1.0
NE2 C:HIS120 2.2 20.0 1.0
C4A C:HEM1196 3.0 19.9 1.0
C1C C:HEM1196 3.0 20.9 1.0
CE1 C:HIS120 3.0 20.5 1.0
C4B C:HEM1196 3.0 20.4 1.0
C1A C:HEM1196 3.0 18.8 1.0
C1B C:HEM1196 3.1 20.3 1.0
C4D C:HEM1196 3.1 20.5 1.0
C4C C:HEM1196 3.1 21.0 1.0
C1D C:HEM1196 3.1 20.8 1.0
CD2 C:HIS120 3.3 21.3 1.0
CHC C:HEM1196 3.4 21.0 1.0
CHB C:HEM1196 3.4 20.1 1.0
CHA C:HEM1196 3.4 19.9 1.0
CHD C:HEM1196 3.4 20.8 1.0
CE2 C:PHE93 4.1 33.6 1.0
ND1 C:HIS120 4.2 21.3 1.0
C3A C:HEM1196 4.3 19.5 1.0
C2C C:HEM1196 4.3 21.3 1.0
C2A C:HEM1196 4.3 18.2 1.0
C3B C:HEM1196 4.3 20.5 1.0
C2B C:HEM1196 4.3 20.7 1.0
C3C C:HEM1196 4.3 21.7 1.0
C3D C:HEM1196 4.3 21.1 1.0
C2D C:HEM1196 4.3 21.2 1.0
CG C:HIS120 4.4 22.2 1.0
CZ C:PHE93 4.6 32.9 1.0
CD2 C:PHE93 4.8 32.9 1.0

Iron binding site 4 out of 8 in 2vee

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Iron binding site 4 out of 8 in the Structure of Protoglobin From Methanosarcina Acetivorans C2A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Protoglobin From Methanosarcina Acetivorans C2A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe1196

b:19.7
occ:1.00
FE D:HEM1196 0.0 19.7 1.0
NC D:HEM1196 2.0 20.1 1.0
NA D:HEM1196 2.0 19.2 1.0
ND D:HEM1196 2.1 20.3 1.0
NB D:HEM1196 2.1 19.8 1.0
NE2 D:HIS120 2.3 19.9 1.0
C4C D:HEM1196 3.0 21.0 1.0
C1D D:HEM1196 3.0 20.8 1.0
C1C D:HEM1196 3.0 20.7 1.0
C4A D:HEM1196 3.1 19.8 1.0
C4D D:HEM1196 3.1 20.5 1.0
C1A D:HEM1196 3.1 18.8 1.0
C1B D:HEM1196 3.1 20.0 1.0
C4B D:HEM1196 3.1 20.0 1.0
CE1 D:HIS120 3.1 20.4 1.0
CHD D:HEM1196 3.3 20.8 1.0
CD2 D:HIS120 3.4 21.2 1.0
CHC D:HEM1196 3.4 20.7 1.0
CHB D:HEM1196 3.4 19.9 1.0
CHA D:HEM1196 3.4 20.0 1.0
CE2 D:PHE93 3.9 33.6 1.0
C3C D:HEM1196 4.2 21.7 1.0
C2C D:HEM1196 4.2 21.3 1.0
C2D D:HEM1196 4.2 21.2 1.0
C3D D:HEM1196 4.3 21.0 1.0
C3A D:HEM1196 4.3 19.4 1.0
ND1 D:HIS120 4.3 21.1 1.0
C2A D:HEM1196 4.3 18.1 1.0
C2B D:HEM1196 4.3 20.4 1.0
C3B D:HEM1196 4.3 20.1 1.0
CG D:HIS120 4.4 22.2 1.0
CZ D:PHE93 4.5 33.0 1.0
CD2 D:PHE93 4.8 32.9 1.0

Iron binding site 5 out of 8 in 2vee

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Iron binding site 5 out of 8 in the Structure of Protoglobin From Methanosarcina Acetivorans C2A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of Protoglobin From Methanosarcina Acetivorans C2A within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe1196

b:20.2
occ:1.00
FE E:HEM1196 0.0 20.2 1.0
NC E:HEM1196 2.0 20.3 1.0
NA E:HEM1196 2.0 19.4 1.0
NB E:HEM1196 2.0 20.2 1.0
ND E:HEM1196 2.1 20.5 1.0
NE2 E:HIS120 2.2 20.0 1.0
C4C E:HEM1196 3.0 21.1 1.0
C1C E:HEM1196 3.0 20.8 1.0
C4A E:HEM1196 3.0 19.9 1.0
C1A E:HEM1196 3.0 18.8 1.0
C4B E:HEM1196 3.0 20.3 1.0
C1B E:HEM1196 3.1 20.3 1.0
CE1 E:HIS120 3.1 20.5 1.0
C4D E:HEM1196 3.1 20.7 1.0
C1D E:HEM1196 3.1 20.9 1.0
CD2 E:HIS120 3.2 21.4 1.0
CHC E:HEM1196 3.4 20.9 1.0
CHD E:HEM1196 3.4 20.8 1.0
CHA E:HEM1196 3.4 20.0 1.0
CHB E:HEM1196 3.4 20.1 1.0
CE2 E:PHE93 4.1 33.6 1.0
C3C E:HEM1196 4.2 21.7 1.0
C2C E:HEM1196 4.2 21.2 1.0
ND1 E:HIS120 4.2 21.2 1.0
C3A E:HEM1196 4.2 19.4 1.0
C2A E:HEM1196 4.3 18.1 1.0
C3B E:HEM1196 4.3 20.3 1.0
C2B E:HEM1196 4.3 20.5 1.0
C3D E:HEM1196 4.3 21.1 1.0
C2D E:HEM1196 4.3 21.3 1.0
CG E:HIS120 4.3 22.3 1.0
CZ E:PHE93 4.8 32.9 1.0
CD2 E:PHE93 4.8 32.9 1.0

Iron binding site 6 out of 8 in 2vee

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Iron binding site 6 out of 8 in the Structure of Protoglobin From Methanosarcina Acetivorans C2A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of Protoglobin From Methanosarcina Acetivorans C2A within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe1196

b:20.2
occ:1.00
FE F:HEM1196 0.0 20.2 1.0
NC F:HEM1196 2.0 20.3 1.0
NB F:HEM1196 2.0 20.1 1.0
NA F:HEM1196 2.1 19.5 1.0
ND F:HEM1196 2.2 20.6 1.0
NE2 F:HIS120 2.2 19.9 1.0
C1C F:HEM1196 2.9 20.8 1.0
C4B F:HEM1196 3.0 20.3 1.0
C4C F:HEM1196 3.0 21.1 1.0
C1B F:HEM1196 3.1 20.2 1.0
CE1 F:HIS120 3.1 20.4 1.0
C4A F:HEM1196 3.1 19.9 1.0
C1D F:HEM1196 3.1 20.9 1.0
C1A F:HEM1196 3.1 18.9 1.0
C4D F:HEM1196 3.1 20.7 1.0
CHC F:HEM1196 3.3 20.9 1.0
CD2 F:HIS120 3.3 21.3 1.0
CHD F:HEM1196 3.4 20.8 1.0
CHB F:HEM1196 3.4 20.0 1.0
CHA F:HEM1196 3.5 20.1 1.0
C2C F:HEM1196 4.2 21.2 1.0
C3C F:HEM1196 4.2 21.7 1.0
C3B F:HEM1196 4.2 20.2 1.0
ND1 F:HIS120 4.2 21.2 1.0
CE2 F:PHE93 4.2 33.7 1.0
C2B F:HEM1196 4.3 20.4 1.0
C2D F:HEM1196 4.3 21.3 1.0
C3A F:HEM1196 4.3 19.5 1.0
C3D F:HEM1196 4.3 21.1 1.0
C2A F:HEM1196 4.3 18.2 1.0
CG F:HIS120 4.3 22.3 1.0
CD2 F:PHE93 4.9 32.9 1.0
CZ F:PHE93 5.0 33.0 1.0

Iron binding site 7 out of 8 in 2vee

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Iron binding site 7 out of 8 in the Structure of Protoglobin From Methanosarcina Acetivorans C2A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of Protoglobin From Methanosarcina Acetivorans C2A within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Fe1196

b:19.9
occ:1.00
FE G:HEM1196 0.0 19.9 1.0
NC G:HEM1196 2.0 20.4 1.0
NA G:HEM1196 2.0 19.4 1.0
NB G:HEM1196 2.1 20.1 1.0
ND G:HEM1196 2.1 20.5 1.0
NE2 G:HIS120 2.2 20.0 1.0
C4C G:HEM1196 3.0 21.2 1.0
C1C G:HEM1196 3.0 20.9 1.0
C4A G:HEM1196 3.0 20.0 1.0
C1A G:HEM1196 3.1 18.8 1.0
C4D G:HEM1196 3.1 20.7 1.0
C1D G:HEM1196 3.1 20.9 1.0
CE1 G:HIS120 3.1 20.4 1.0
C1B G:HEM1196 3.1 20.3 1.0
C4B G:HEM1196 3.1 20.3 1.0
CD2 G:HIS120 3.2 21.3 1.0
CHD G:HEM1196 3.4 20.9 1.0
CHC G:HEM1196 3.4 20.9 1.0
CHA G:HEM1196 3.4 20.0 1.0
CHB G:HEM1196 3.4 20.2 1.0
CE2 G:PHE93 4.2 33.7 1.0
ND1 G:HIS120 4.2 21.2 1.0
C3C G:HEM1196 4.2 21.9 1.0
C2C G:HEM1196 4.2 21.4 1.0
C3A G:HEM1196 4.3 19.5 1.0
C3D G:HEM1196 4.3 21.1 1.0
C2D G:HEM1196 4.3 21.2 1.0
C2A G:HEM1196 4.3 18.3 1.0
CG G:HIS120 4.3 22.3 1.0
C2B G:HEM1196 4.3 20.7 1.0
C3B G:HEM1196 4.3 20.4 1.0
CZ G:PHE93 4.8 33.0 1.0
CD2 G:PHE93 4.9 33.0 1.0

Iron binding site 8 out of 8 in 2vee

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Iron binding site 8 out of 8 in the Structure of Protoglobin From Methanosarcina Acetivorans C2A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of Protoglobin From Methanosarcina Acetivorans C2A within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Fe1196

b:19.8
occ:1.00
FE H:HEM1196 0.0 19.8 1.0
NC H:HEM1196 2.0 20.1 1.0
NA H:HEM1196 2.0 19.4 1.0
NB H:HEM1196 2.1 20.1 1.0
ND H:HEM1196 2.1 20.2 1.0
NE2 H:HIS120 2.2 19.8 1.0
CE1 H:HIS120 3.0 20.2 1.0
C4C H:HEM1196 3.0 20.8 1.0
C1D H:HEM1196 3.0 20.6 1.0
C4D H:HEM1196 3.0 20.5 1.0
C1C H:HEM1196 3.0 20.7 1.0
C4A H:HEM1196 3.1 19.9 1.0
C1A H:HEM1196 3.1 18.8 1.0
C4B H:HEM1196 3.1 20.3 1.0
C1B H:HEM1196 3.1 20.2 1.0
CD2 H:HIS120 3.2 21.1 1.0
CHD H:HEM1196 3.4 20.6 1.0
CHA H:HEM1196 3.4 20.0 1.0
CHC H:HEM1196 3.4 20.9 1.0
CHB H:HEM1196 3.4 20.2 1.0
CE2 H:PHE93 4.0 33.5 1.0
ND1 H:HIS120 4.2 21.0 1.0
C3D H:HEM1196 4.2 20.9 1.0
C3C H:HEM1196 4.2 21.6 1.0
C2D H:HEM1196 4.2 21.0 1.0
C2C H:HEM1196 4.3 21.2 1.0
C3A H:HEM1196 4.3 19.5 1.0
C2A H:HEM1196 4.3 18.1 1.0
C2B H:HEM1196 4.3 20.5 1.0
C3B H:HEM1196 4.3 20.3 1.0
CG H:HIS120 4.3 22.1 1.0
CZ H:PHE93 4.6 32.8 1.0
CD2 H:PHE93 4.8 32.8 1.0

Reference:

M.Nardini, A.Pesce, L.Thijs, J.A.Saito, S.Dewilde, M.Alam, P.Ascenzi, M.Coletta, C.Ciaccio, L.Moens, M.Bolognesi. Archaeal Protoglobin Structure Indicates New Ligand Diffusion Paths and Modulation of Haem- Reactivity. Embo Rep. V. 9 157 2008.
ISSN: ISSN 1469-221X
PubMed: 18188182
DOI: 10.1038/SJ.EMBOR.7401153
Page generated: Sun Dec 13 14:53:49 2020

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