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Iron in PDB 2r4x: Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: H69V/I114M Co Complex

Protein crystallography data

The structure of Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: H69V/I114M Co Complex, PDB code: 2r4x was solved by J.E.Knapp, W.E.Royer Jr., K.Nienhaus, P.Palladino, G.U.Nienhaus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.24 / 2.10
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 92.250, 44.370, 143.860, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 21

Iron Binding Sites:

The binding sites of Iron atom in the Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: H69V/I114M Co Complex (pdb code 2r4x). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: H69V/I114M Co Complex, PDB code: 2r4x:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 2r4x

Go back to Iron Binding Sites List in 2r4x
Iron binding site 1 out of 2 in the Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: H69V/I114M Co Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: H69V/I114M Co Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe147

b:21.7
occ:1.00
FE A:HEM147 0.0 21.7 1.0
C A:CMO148 2.0 22.9 1.0
NB A:HEM147 2.0 21.7 1.0
NA A:HEM147 2.0 21.7 1.0
ND A:HEM147 2.0 21.7 1.0
NC A:HEM147 2.0 21.7 1.0
NE2 A:HIS101 2.6 20.5 1.0
C1D A:HEM147 3.0 21.7 1.0
C1B A:HEM147 3.0 21.7 1.0
C4A A:HEM147 3.0 21.7 1.0
C4B A:HEM147 3.0 21.7 1.0
C4C A:HEM147 3.1 21.7 1.0
C1C A:HEM147 3.1 21.7 1.0
C4D A:HEM147 3.1 21.7 1.0
C1A A:HEM147 3.1 21.7 1.0
O A:CMO148 3.2 27.1 1.0
CHD A:HEM147 3.4 21.7 1.0
CHB A:HEM147 3.4 21.7 1.0
CHC A:HEM147 3.4 21.7 1.0
CHA A:HEM147 3.5 21.7 1.0
CD2 A:HIS101 3.5 20.5 1.0
CE1 A:HIS101 3.5 20.5 1.0
C3A A:HEM147 4.3 21.7 1.0
C2A A:HEM147 4.3 21.7 1.0
C2B A:HEM147 4.3 21.7 1.0
C2D A:HEM147 4.3 21.7 1.0
C2C A:HEM147 4.3 21.7 1.0
C3C A:HEM147 4.3 21.7 1.0
C3D A:HEM147 4.3 21.7 1.0
C3B A:HEM147 4.3 21.7 1.0
CG A:HIS101 4.7 20.5 1.0
ND1 A:HIS101 4.7 20.5 1.0
CD1 A:LEU73 4.9 20.6 1.0

Iron binding site 2 out of 2 in 2r4x

Go back to Iron Binding Sites List in 2r4x
Iron binding site 2 out of 2 in the Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: H69V/I114M Co Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: H69V/I114M Co Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe147

b:23.8
occ:1.00
FE B:HEM147 0.0 23.8 1.0
C B:CMO148 2.0 20.0 1.0
NB B:HEM147 2.0 23.8 1.0
NA B:HEM147 2.0 23.8 1.0
ND B:HEM147 2.0 23.8 1.0
NC B:HEM147 2.0 23.8 1.0
NE2 B:HIS101 2.5 26.5 1.0
C1B B:HEM147 3.0 23.8 1.0
C4A B:HEM147 3.0 23.8 1.0
C4B B:HEM147 3.0 23.8 1.0
C1A B:HEM147 3.0 23.8 1.0
C4D B:HEM147 3.0 23.8 1.0
C1C B:HEM147 3.0 23.8 1.0
C1D B:HEM147 3.1 23.8 1.0
C4C B:HEM147 3.1 23.8 1.0
O B:CMO148 3.2 27.4 1.0
CHB B:HEM147 3.4 23.8 1.0
CHC B:HEM147 3.4 23.8 1.0
CHA B:HEM147 3.4 23.8 1.0
CE1 B:HIS101 3.4 26.5 1.0
CHD B:HEM147 3.4 23.8 1.0
CD2 B:HIS101 3.5 26.5 1.0
C2A B:HEM147 4.3 23.8 1.0
C3A B:HEM147 4.3 23.8 1.0
C2B B:HEM147 4.3 23.8 1.0
C3D B:HEM147 4.3 23.8 1.0
C3B B:HEM147 4.3 23.8 1.0
C2D B:HEM147 4.3 23.8 1.0
C2C B:HEM147 4.3 23.8 1.0
C3C B:HEM147 4.3 23.8 1.0
ND1 B:HIS101 4.6 26.5 1.0
CG B:HIS101 4.7 26.5 1.0
CD1 B:LEU73 5.0 20.5 1.0

Reference:

K.Nienhaus, J.E.Knapp, P.Palladino, W.E.Royer Jr., G.U.Nienhaus. Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis Biochemistry V. 46 14018 2007.
ISSN: ISSN 0006-2960
PubMed: 18001141
DOI: 10.1021/BI7016798
Page generated: Sun Dec 13 14:52:26 2020

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