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Iron in PDB 4xq1: Crystal Structure of Hemerythrin: L114A Mutant

Protein crystallography data

The structure of Crystal Structure of Hemerythrin: L114A Mutant, PDB code: 4xq1 was solved by P.Chuankhayan, K.H.C.Chen, H.H.Wu, C.J.Chen, M.Fukuda, S.S.F.Yu, S.I.Chan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.45 / 1.40
Space group P 6
Cell size a, b, c (Å), α, β, γ (°) 83.876, 83.876, 31.180, 90.00, 90.00, 120.00
R / Rfree (%) 15.6 / 18.6

Other elements in 4xq1:

The structure of Crystal Structure of Hemerythrin: L114A Mutant also contains other interesting chemical elements:

Sodium (Na) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Hemerythrin: L114A Mutant (pdb code 4xq1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Hemerythrin: L114A Mutant, PDB code: 4xq1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4xq1

Go back to Iron Binding Sites List in 4xq1
Iron binding site 1 out of 2 in the Crystal Structure of Hemerythrin: L114A Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Hemerythrin: L114A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:10.7
occ:1.00
O A:HOH722 2.0 11.7 1.0
OD1 A:ASP122 2.2 10.9 1.0
OE1 A:GLU62 2.2 12.1 1.0
NE2 A:HIS117 2.2 11.1 1.0
NE2 A:HIS77 2.2 11.1 1.0
NE2 A:HIS81 2.2 11.2 1.0
CE1 A:HIS81 3.1 11.0 1.0
CG A:ASP122 3.1 10.1 1.0
CD2 A:HIS117 3.1 10.3 1.0
CE1 A:HIS77 3.2 11.5 1.0
CD A:GLU62 3.2 11.4 1.0
CD2 A:HIS77 3.3 10.6 1.0
CE1 A:HIS117 3.3 11.0 1.0
CD2 A:HIS81 3.3 11.1 1.0
OE2 A:GLU62 3.4 10.2 1.0
FE A:FE202 3.4 11.3 1.0
OD2 A:ASP122 3.5 11.3 1.0
ND1 A:HIS81 4.3 9.8 1.0
CG A:HIS117 4.3 10.5 1.0
ND1 A:HIS77 4.3 11.3 1.0
ND1 A:HIS117 4.4 10.9 1.0
O2 A:NO3203 4.4 22.2 1.0
CG A:HIS77 4.4 10.8 1.0
CG A:HIS81 4.4 10.7 1.0
CB A:ASP122 4.5 10.8 1.0
CG A:GLU62 4.5 10.9 1.0
CE2 A:TYR125 4.7 11.9 1.0
O1 A:NO3203 4.7 14.3 1.0
CD2 A:PHE59 4.7 12.3 1.0
NE2 A:HIS58 4.8 10.5 1.0
CE2 A:PHE59 4.8 12.0 1.0
CB A:GLU62 4.8 11.6 1.0
N A:NO3203 4.9 16.6 1.0
CA A:ASP122 4.9 10.7 1.0

Iron binding site 2 out of 2 in 4xq1

Go back to Iron Binding Sites List in 4xq1
Iron binding site 2 out of 2 in the Crystal Structure of Hemerythrin: L114A Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Hemerythrin: L114A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe202

b:11.3
occ:1.00
O A:HOH722 1.9 11.7 1.0
OD2 A:ASP122 2.1 11.3 1.0
O1 A:NO3203 2.2 14.3 1.0
NE2 A:HIS58 2.2 10.5 1.0
NE2 A:HIS22 2.2 11.2 1.0
OE2 A:GLU62 2.2 10.2 1.0
N A:NO3203 2.9 16.6 1.0
CG A:ASP122 3.0 10.1 1.0
CE1 A:HIS58 3.0 10.4 1.0
CD A:GLU62 3.1 11.4 1.0
CD2 A:HIS22 3.2 11.6 1.0
CE1 A:HIS22 3.2 11.4 1.0
CD2 A:HIS58 3.3 11.2 1.0
O2 A:NO3203 3.3 22.2 1.0
FE A:FE201 3.4 10.7 1.0
OD1 A:ASP122 3.4 10.9 1.0
OE1 A:GLU62 3.6 12.1 1.0
CD2 A:HIS117 4.2 10.3 1.0
ND1 A:HIS58 4.2 10.4 1.0
OH A:TYR125 4.3 13.0 1.0
ND1 A:HIS22 4.3 12.7 1.0
CB A:ASP122 4.3 10.8 1.0
CG A:HIS22 4.3 11.2 1.0
CG A:HIS58 4.4 10.4 1.0
CG A:GLU62 4.4 10.9 1.0
CG1 A:ILE118 4.4 11.8 1.0
NE2 A:HIS117 4.4 11.1 1.0
O3 A:NO3203 4.5 25.9 1.0
NE2 A:HIS81 5.0 11.2 1.0
CD1 A:ILE118 5.0 12.4 1.0

Reference:

K.H.Chen, P.Chuankhayan, H.H.Wu, C.J.Chen, M.Fukuda, S.S.Yu, S.I.Chan. The Bacteriohemerythrin From Methylococcus Capsulatus (Bath): Crystal Structures Reveal That LEU114 Regulates A Water Tunnel J.Inorg.Biochem. 2015.
ISSN: ISSN 0162-0134
PubMed: 25890483
DOI: 10.1016/J.JINORGBIO.2015.04.001
Page generated: Mon Aug 5 15:36:54 2024

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