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Iron in PDB 1out: Trout Hemoglobin I

Protein crystallography data

The structure of Trout Hemoglobin I, PDB code: 1out was solved by J.Tame, J.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.30
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 63.280, 63.280, 312.740, 90.00, 90.00, 120.00
R / Rfree (%) 16.2 / 24.7

Iron Binding Sites:

The binding sites of Iron atom in the Trout Hemoglobin I (pdb code 1out). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Trout Hemoglobin I, PDB code: 1out:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1out

Go back to Iron Binding Sites List in 1out
Iron binding site 1 out of 2 in the Trout Hemoglobin I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Trout Hemoglobin I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe143

b:21.2
occ:1.00
FE A:HEM143 0.0 21.2 1.0
ND A:HEM143 2.0 22.2 1.0
NC A:HEM143 2.0 16.7 1.0
NB A:HEM143 2.0 17.8 1.0
NA A:HEM143 2.1 21.9 1.0
NE2 A:HIS88 2.2 17.4 1.0
CE1 A:HIS88 3.0 19.5 1.0
C1C A:HEM143 3.0 14.4 1.0
C1D A:HEM143 3.0 23.1 1.0
C4D A:HEM143 3.1 22.2 1.0
C4C A:HEM143 3.1 16.9 1.0
C1A A:HEM143 3.1 26.1 1.0
C4B A:HEM143 3.1 16.4 1.0
C1B A:HEM143 3.1 18.2 1.0
C4A A:HEM143 3.1 19.2 1.0
CD2 A:HIS88 3.3 14.9 1.0
CHA A:HEM143 3.4 21.2 1.0
CHC A:HEM143 3.4 9.2 1.0
CHD A:HEM143 3.5 15.3 1.0
CHB A:HEM143 3.5 18.7 1.0
ND1 A:HIS88 4.2 17.2 1.0
NE2 A:HIS59 4.3 31.8 1.0
C3D A:HEM143 4.3 24.2 1.0
C2D A:HEM143 4.3 22.6 1.0
C2C A:HEM143 4.3 17.1 1.0
C3C A:HEM143 4.3 15.1 1.0
C3B A:HEM143 4.3 14.1 1.0
C2B A:HEM143 4.3 14.6 1.0
CD1 A:ILE63 4.3 28.5 1.0
C2A A:HEM143 4.3 29.6 1.0
C3A A:HEM143 4.3 26.2 1.0
CG A:HIS88 4.4 14.4 1.0
CG1 A:ILE63 4.4 17.5 1.0
CD1 A:LEU92 4.7 28.7 1.0
CE1 A:HIS59 4.7 36.3 1.0

Iron binding site 2 out of 2 in 1out

Go back to Iron Binding Sites List in 1out
Iron binding site 2 out of 2 in the Trout Hemoglobin I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Trout Hemoglobin I within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe148

b:16.4
occ:1.00
FE B:HEM148 0.0 16.4 1.0
NB B:HEM148 2.0 18.3 1.0
NA B:HEM148 2.0 20.3 1.0
ND B:HEM148 2.0 20.7 1.0
NC B:HEM148 2.0 15.8 1.0
NE2 B:HIS92 2.1 13.1 1.0
CE1 B:HIS92 3.0 15.3 1.0
C4A B:HEM148 3.0 21.2 1.0
C1B B:HEM148 3.0 19.8 1.0
C1A B:HEM148 3.1 23.7 1.0
C4D B:HEM148 3.1 20.5 1.0
C1D B:HEM148 3.1 23.0 1.0
C4B B:HEM148 3.1 21.8 1.0
C4C B:HEM148 3.1 14.3 1.0
C1C B:HEM148 3.1 16.9 1.0
CD2 B:HIS92 3.2 8.3 1.0
CHB B:HEM148 3.4 21.8 1.0
CHD B:HEM148 3.4 18.6 1.0
CHC B:HEM148 3.5 22.0 1.0
CHA B:HEM148 3.5 20.5 1.0
CG2 B:VAL67 4.1 27.4 1.0
NE2 B:HIS63 4.1 23.0 1.0
ND1 B:HIS92 4.2 15.0 1.0
C2B B:HEM148 4.3 20.8 1.0
C3B B:HEM148 4.3 21.9 1.0
C3D B:HEM148 4.3 23.8 1.0
C3A B:HEM148 4.3 21.6 1.0
C2A B:HEM148 4.3 27.1 1.0
C2D B:HEM148 4.3 22.2 1.0
CG B:HIS92 4.3 20.8 1.0
C3C B:HEM148 4.3 13.1 1.0
C2C B:HEM148 4.3 13.7 1.0
CE1 B:HIS63 4.7 25.7 1.0
CD1 B:LEU96 4.9 21.5 1.0

Reference:

J.R.Tame, J.C.Wilson, R.E.Weber. The Crystal Structures of Trout Hb I in the Deoxy and Carbonmonoxy Forms. J.Mol.Biol. V. 259 749 1996.
ISSN: ISSN 0022-2836
PubMed: 8683580
DOI: 10.1006/JMBI.1996.0355
Page generated: Sat Aug 3 12:43:18 2024

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