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Iron in PDB 2peg: Crystal Structure of Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State

Protein crystallography data

The structure of Crystal Structure of Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State, PDB code: 2peg was solved by A.Vergara, M.Franzese, A.Merlino, L.Vitagliano, L.Mazzarella, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.48
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 87.160, 87.740, 55.380, 90.00, 97.66, 90.00
R / Rfree (%) 19.9 / 23.4

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State (pdb code 2peg). 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 Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State, PDB code: 2peg:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 2peg

Go back to Iron Binding Sites List in 2peg
Iron binding site 1 out of 2 in the Crystal Structure of Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State


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 Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe200

b:14.6
occ:1.00
FE A:HEM200 0.0 14.6 1.0
NC A:HEM200 2.0 14.3 1.0
ND A:HEM200 2.0 15.3 1.0
NB A:HEM200 2.0 14.5 1.0
O A:HOH1072 2.0 15.2 1.0
NA A:HEM200 2.0 15.8 1.0
NE2 A:HIS88 2.1 14.9 1.0
CE1 A:HIS88 3.0 14.5 1.0
C1D A:HEM200 3.0 15.1 1.0
C4B A:HEM200 3.0 14.4 1.0
C1C A:HEM200 3.0 14.3 1.0
C4C A:HEM200 3.1 14.4 1.0
C4D A:HEM200 3.1 16.0 1.0
C1A A:HEM200 3.1 16.4 1.0
C1B A:HEM200 3.1 14.6 1.0
C4A A:HEM200 3.1 15.6 1.0
CD2 A:HIS88 3.2 14.5 1.0
CHC A:HEM200 3.4 14.4 1.0
CHD A:HEM200 3.4 15.0 1.0
CHB A:HEM200 3.5 15.0 1.0
CHA A:HEM200 3.5 16.2 1.0
ND1 A:HIS88 4.2 14.3 1.0
NE2 A:HIS59 4.2 15.6 1.0
CG A:HIS88 4.3 15.0 1.0
C2C A:HEM200 4.3 13.8 1.0
C3C A:HEM200 4.3 13.8 1.0
C3D A:HEM200 4.3 16.3 1.0
C2A A:HEM200 4.3 17.7 1.0
C3B A:HEM200 4.3 14.6 1.0
C2D A:HEM200 4.3 15.8 1.0
C2B A:HEM200 4.3 14.4 1.0
C3A A:HEM200 4.4 16.5 1.0
CE1 A:HIS59 4.6 15.8 1.0

Iron binding site 2 out of 2 in 2peg

Go back to Iron Binding Sites List in 2peg
Iron binding site 2 out of 2 in the Crystal Structure of Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State


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 Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe400

b:17.4
occ:1.00
FE B:HEM400 0.0 17.4 1.0
NE2 B:HIS92 2.0 18.9 1.0
ND B:HEM400 2.0 19.0 1.0
NE2 B:HIS63 2.0 15.9 1.0
NB B:HEM400 2.0 18.1 1.0
NC B:HEM400 2.0 18.2 1.0
NA B:HEM400 2.1 18.8 1.0
CE1 B:HIS92 3.0 18.9 1.0
CE1 B:HIS63 3.0 15.8 1.0
C4B B:HEM400 3.0 17.9 1.0
C1D B:HEM400 3.0 19.2 1.0
C4C B:HEM400 3.1 18.2 1.0
CD2 B:HIS63 3.1 15.5 1.0
CD2 B:HIS92 3.1 19.1 1.0
C4D B:HEM400 3.1 19.7 1.0
C1B B:HEM400 3.1 18.0 1.0
C4A B:HEM400 3.1 18.8 1.0
C1C B:HEM400 3.1 17.9 1.0
C1A B:HEM400 3.1 19.5 1.0
CHD B:HEM400 3.4 18.8 1.0
CHC B:HEM400 3.4 17.7 1.0
CHB B:HEM400 3.5 18.4 1.0
CHA B:HEM400 3.5 19.4 1.0
ND1 B:HIS92 4.1 19.4 1.0
ND1 B:HIS63 4.1 15.8 1.0
CG B:HIS63 4.2 15.7 1.0
CG B:HIS92 4.2 19.6 1.0
C3B B:HEM400 4.3 18.2 1.0
C3D B:HEM400 4.3 20.2 1.0
C2D B:HEM400 4.3 19.8 1.0
C3C B:HEM400 4.3 18.2 1.0
C3A B:HEM400 4.3 19.6 1.0
C2A B:HEM400 4.3 20.3 1.0
C2B B:HEM400 4.4 18.1 1.0
C2C B:HEM400 4.4 18.2 1.0
CG2 B:VAL67 4.7 13.6 1.0

Reference:

A.Vergara, M.Franzese, A.Merlino, L.Vitagliano, C.Verde, G.Di Prisco, H.C.Lee, J.Peisach, L.Mazzarella. Structural Characterization of Ferric Hemoglobins From Three Antarctic Fish Species of the Suborder Notothenioidei. Biophys.J. V. 93 2822 2007.
ISSN: ISSN 0006-3495
PubMed: 17545238
DOI: 10.1529/BIOPHYSJ.107.105700
Page generated: Thu Jul 17 03:24:44 2025

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