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Iron in PDB 1aj9: R-State Human Carbonmonoxyhemoglobin Alpha-A53S

Protein crystallography data

The structure of R-State Human Carbonmonoxyhemoglobin Alpha-A53S, PDB code: 1aj9 was solved by G.B.Vasquez, X.Ji, C.Fronticelli, G.L.Gilliland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 2.20
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 54.100, 54.100, 195.100, 90.00, 90.00, 90.00
R / Rfree (%) 15.5 / n/a

Iron Binding Sites:

The binding sites of Iron atom in the R-State Human Carbonmonoxyhemoglobin Alpha-A53S (pdb code 1aj9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the R-State Human Carbonmonoxyhemoglobin Alpha-A53S, PDB code: 1aj9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1aj9

Go back to Iron Binding Sites List in 1aj9
Iron binding site 1 out of 2 in the R-State Human Carbonmonoxyhemoglobin Alpha-A53S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of R-State Human Carbonmonoxyhemoglobin Alpha-A53S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe143

b:18.8
occ:1.00
FE A:HEM143 0.0 18.8 1.0
C A:CMO148 1.9 18.0 1.0
NE2 A:HIS87 1.9 11.0 1.0
NB A:HEM143 2.0 18.9 1.0
ND A:HEM143 2.0 19.9 1.0
NC A:HEM143 2.0 18.8 1.0
NA A:HEM143 2.0 19.8 1.0
O A:CMO148 2.7 17.4 1.0
CD2 A:HIS87 2.9 14.4 1.0
CE1 A:HIS87 3.0 13.2 1.0
C4B A:HEM143 3.0 18.9 1.0
C1C A:HEM143 3.0 18.8 1.0
C1D A:HEM143 3.0 19.6 1.0
C1B A:HEM143 3.1 18.5 1.0
C4C A:HEM143 3.1 18.2 1.0
C4A A:HEM143 3.1 19.5 1.0
C4D A:HEM143 3.1 19.9 1.0
C1A A:HEM143 3.1 20.3 1.0
CHD A:HEM143 3.4 19.2 1.0
CHC A:HEM143 3.4 18.9 1.0
CHA A:HEM143 3.4 20.2 1.0
CHB A:HEM143 3.4 18.4 1.0
CG A:HIS87 4.1 14.7 1.0
ND1 A:HIS87 4.1 12.7 1.0
C3D A:HEM143 4.2 20.6 1.0
C2D A:HEM143 4.3 20.0 1.0
C2C A:HEM143 4.3 18.3 1.0
C3C A:HEM143 4.3 17.9 1.0
C3A A:HEM143 4.3 20.1 1.0
C2A A:HEM143 4.3 20.8 1.0
C3B A:HEM143 4.3 18.4 1.0
C2B A:HEM143 4.3 18.2 1.0
NE2 A:HIS58 4.5 14.4 1.0
CE1 A:HIS58 4.9 14.8 1.0

Iron binding site 2 out of 2 in 1aj9

Go back to Iron Binding Sites List in 1aj9
Iron binding site 2 out of 2 in the R-State Human Carbonmonoxyhemoglobin Alpha-A53S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of R-State Human Carbonmonoxyhemoglobin Alpha-A53S within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe147

b:25.6
occ:1.00
FE B:HEM147 0.0 25.6 1.0
C B:CMO148 1.8 25.4 1.0
ND B:HEM147 2.0 25.9 1.0
NA B:HEM147 2.0 25.7 1.0
NC B:HEM147 2.0 24.5 1.0
NB B:HEM147 2.0 24.4 1.0
NE2 B:HIS92 2.2 17.2 1.0
O B:CMO148 3.0 26.6 1.0
C4D B:HEM147 3.0 26.6 1.0
C1C B:HEM147 3.0 24.0 1.0
C1A B:HEM147 3.0 26.2 1.0
C1D B:HEM147 3.0 25.9 1.0
C4B B:HEM147 3.1 23.6 1.0
C4C B:HEM147 3.1 24.8 1.0
C4A B:HEM147 3.1 25.6 1.0
C1B B:HEM147 3.1 24.2 1.0
CE1 B:HIS92 3.1 18.7 1.0
CD2 B:HIS92 3.2 17.6 1.0
CHA B:HEM147 3.3 26.6 1.0
CHC B:HEM147 3.4 23.7 1.0
CHD B:HEM147 3.5 25.0 1.0
CHB B:HEM147 3.5 24.8 1.0
NE2 B:HIS63 4.2 31.1 1.0
C3D B:HEM147 4.2 27.1 1.0
C2D B:HEM147 4.2 26.4 1.0
C2C B:HEM147 4.2 23.9 1.0
ND1 B:HIS92 4.2 18.9 1.0
C3C B:HEM147 4.3 24.0 1.0
C2A B:HEM147 4.3 26.5 1.0
C3A B:HEM147 4.3 25.9 1.0
C3B B:HEM147 4.3 23.3 1.0
CG B:HIS92 4.3 18.3 1.0
C2B B:HEM147 4.3 23.7 1.0

Reference:

G.B.Vasquez, X.Ji, C.Fronticelli, G.L.Gilliland. Human Carboxyhemoglobin at 2.2 A Resolution: Structure and Solvent Comparisons of R-State, R2-State and T-State Hemoglobins. Acta Crystallogr.,Sect.D V. 54 355 1998.
ISSN: ISSN 0907-4449
PubMed: 9761903
DOI: 10.1107/S0907444997012250
Page generated: Sun Dec 13 14:03:56 2020

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