Atomistry » Iron » PDB 1ch3-1cp2 » 1cls
Atomistry »
  Iron »
    PDB 1ch3-1cp2 »
      1cls »

Iron in PDB 1cls: Cross-Linked Human Hemoglobin Deoxy

Protein crystallography data

The structure of Cross-Linked Human Hemoglobin Deoxy, PDB code: 1cls was solved by X.Ji, C.Fronticelli, E.Bucci, G.L.Gilliland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 62.800, 82.470, 53.300, 90.00, 99.24, 90.00
R / Rfree (%) 16.8 / n/a

Iron Binding Sites:

The binding sites of Iron atom in the Cross-Linked Human Hemoglobin Deoxy (pdb code 1cls). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Cross-Linked Human Hemoglobin Deoxy, PDB code: 1cls:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1cls

Go back to Iron Binding Sites List in 1cls
Iron binding site 1 out of 4 in the Cross-Linked Human Hemoglobin Deoxy


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cross-Linked Human Hemoglobin Deoxy within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe142

b:15.7
occ:1.00
FE A:HEM142 0.0 15.7 1.0
NE2 A:HIS87 1.9 11.7 1.0
NA A:HEM142 2.0 16.2 1.0
ND A:HEM142 2.0 15.7 1.0
NC A:HEM142 2.1 15.5 1.0
NB A:HEM142 2.1 15.9 1.0
O A:O143 2.1 14.5 1.0
CE1 A:HIS87 2.8 12.9 1.0
C1A A:HEM142 3.0 16.6 1.0
CD2 A:HIS87 3.0 12.8 1.0
C4D A:HEM142 3.0 15.6 1.0
C4A A:HEM142 3.0 16.6 1.0
C4B A:HEM142 3.1 15.9 1.0
C1D A:HEM142 3.1 15.1 1.0
C1B A:HEM142 3.1 15.9 1.0
C1C A:HEM142 3.1 15.5 1.0
C4C A:HEM142 3.1 15.5 1.0
CHA A:HEM142 3.3 15.8 1.0
CHC A:HEM142 3.4 15.8 1.0
CHB A:HEM142 3.4 16.5 1.0
CHD A:HEM142 3.5 15.5 1.0
ND1 A:HIS87 4.0 13.0 1.0
CG A:HIS87 4.1 13.4 1.0
C2A A:HEM142 4.2 17.4 1.0
C3D A:HEM142 4.2 15.7 1.0
C3A A:HEM142 4.3 17.0 1.0
C3B A:HEM142 4.3 16.3 1.0
C2B A:HEM142 4.3 16.1 1.0
C2D A:HEM142 4.3 15.1 1.0
C2C A:HEM142 4.3 15.7 1.0
C3C A:HEM142 4.3 15.6 1.0
NE2 A:HIS58 4.4 17.1 1.0
CD1 A:LEU91 4.6 16.0 1.0
CE1 A:HIS58 4.6 17.3 1.0

Iron binding site 2 out of 4 in 1cls

Go back to Iron Binding Sites List in 1cls
Iron binding site 2 out of 4 in the Cross-Linked Human Hemoglobin Deoxy


Mono view


Stereo pair view

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

b:13.6
occ:1.00
FE B:HEM148 0.0 13.6 1.0
NC B:HEM148 2.0 12.6 1.0
ND B:HEM148 2.0 13.9 1.0
NA B:HEM148 2.1 15.1 1.0
NB B:HEM148 2.1 13.9 1.0
NE2 B:HIS92 2.2 11.7 1.0
C1C B:HEM148 3.0 12.5 1.0
C4C B:HEM148 3.0 12.0 1.0
C4D B:HEM148 3.1 14.7 1.0
C1D B:HEM148 3.1 13.4 1.0
C4B B:HEM148 3.1 14.3 1.0
C4A B:HEM148 3.1 16.0 1.0
C1A B:HEM148 3.1 15.7 1.0
CD2 B:HIS92 3.1 11.2 1.0
C1B B:HEM148 3.1 14.5 1.0
CE1 B:HIS92 3.3 11.7 1.0
CHC B:HEM148 3.4 13.6 1.0
CHA B:HEM148 3.4 15.1 1.0
CHD B:HEM148 3.5 12.9 1.0
CHB B:HEM148 3.6 15.3 1.0
CG2 B:VAL67 4.1 19.1 1.0
NE2 B:HIS63 4.1 16.0 1.0
C2C B:HEM148 4.2 12.6 1.0
C3D B:HEM148 4.3 14.4 1.0
C3C B:HEM148 4.3 12.0 1.0
CG B:HIS92 4.3 12.1 1.0
C2A B:HEM148 4.3 16.9 1.0
C2D B:HEM148 4.3 14.0 1.0
ND1 B:HIS92 4.3 11.0 1.0
C3A B:HEM148 4.3 16.7 1.0
C3B B:HEM148 4.3 15.0 1.0
C2B B:HEM148 4.4 14.7 1.0
CE1 B:HIS63 4.5 17.0 1.0
CD1 B:LEU96 5.0 13.9 1.0

Iron binding site 3 out of 4 in 1cls

Go back to Iron Binding Sites List in 1cls
Iron binding site 3 out of 4 in the Cross-Linked Human Hemoglobin Deoxy


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cross-Linked Human Hemoglobin Deoxy within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe142

b:16.6
occ:1.00
FE C:HEM142 0.0 16.6 1.0
NA C:HEM142 2.0 18.1 1.0
NC C:HEM142 2.0 16.0 1.0
NB C:HEM142 2.0 17.7 1.0
ND C:HEM142 2.0 16.7 1.0
O C:O143 2.1 17.8 1.0
NE2 C:HIS87 2.2 14.3 1.0
C1A C:HEM142 3.0 18.0 1.0
C1C C:HEM142 3.0 15.6 1.0
C4A C:HEM142 3.1 18.5 1.0
C4D C:HEM142 3.1 16.1 1.0
C4B C:HEM142 3.1 16.6 1.0
C4C C:HEM142 3.1 15.6 1.0
C1B C:HEM142 3.1 18.1 1.0
C1D C:HEM142 3.1 15.5 1.0
CD2 C:HIS87 3.2 14.3 1.0
CE1 C:HIS87 3.2 13.6 1.0
CHC C:HEM142 3.4 16.1 1.0
CHA C:HEM142 3.4 17.1 1.0
CHB C:HEM142 3.4 18.6 1.0
CHD C:HEM142 3.5 15.7 1.0
C2A C:HEM142 4.2 19.6 1.0
NE2 C:HIS58 4.3 14.9 1.0
C2C C:HEM142 4.3 15.7 1.0
C3D C:HEM142 4.3 16.4 1.0
C3A C:HEM142 4.3 18.7 1.0
ND1 C:HIS87 4.3 14.3 1.0
C3B C:HEM142 4.3 17.7 1.0
C3C C:HEM142 4.3 15.4 1.0
CG C:HIS87 4.3 14.2 1.0
C2D C:HEM142 4.3 15.8 1.0
C2B C:HEM142 4.3 17.7 1.0
CE1 C:HIS58 4.7 14.2 1.0
CD1 C:LEU91 4.8 15.2 1.0

Iron binding site 4 out of 4 in 1cls

Go back to Iron Binding Sites List in 1cls
Iron binding site 4 out of 4 in the Cross-Linked Human Hemoglobin Deoxy


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cross-Linked Human Hemoglobin Deoxy within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe148

b:15.4
occ:1.00
FE D:HEM148 0.0 15.4 1.0
NC D:HEM148 2.0 15.7 1.0
ND D:HEM148 2.0 16.9 1.0
NA D:HEM148 2.0 15.8 1.0
NB D:HEM148 2.0 15.4 1.0
NE2 D:HIS92 2.1 6.5 1.0
CD2 D:HIS92 3.0 7.8 1.0
C1C D:HEM148 3.0 15.7 1.0
C4B D:HEM148 3.1 15.9 1.0
C1A D:HEM148 3.1 16.8 1.0
C4D D:HEM148 3.1 18.1 1.0
C4C D:HEM148 3.1 16.4 1.0
C1D D:HEM148 3.1 17.4 1.0
C1B D:HEM148 3.1 15.7 1.0
C4A D:HEM148 3.1 15.9 1.0
CE1 D:HIS92 3.1 7.4 1.0
CHC D:HEM148 3.4 15.7 1.0
CHA D:HEM148 3.4 17.2 1.0
CHD D:HEM148 3.5 16.9 1.0
CHB D:HEM148 3.5 15.6 1.0
ND1 D:HIS92 4.2 8.6 1.0
CG D:HIS92 4.2 8.1 1.0
C2C D:HEM148 4.3 16.3 1.0
C3B D:HEM148 4.3 15.9 1.0
C3D D:HEM148 4.3 18.9 1.0
C3C D:HEM148 4.3 16.4 1.0
C2D D:HEM148 4.3 18.2 1.0
C2B D:HEM148 4.3 15.4 1.0
C2A D:HEM148 4.3 17.8 1.0
C3A D:HEM148 4.3 16.6 1.0
NE2 D:HIS63 4.4 19.6 1.0
CG2 D:VAL67 4.5 23.5 1.0
CE1 D:HIS63 4.8 20.5 1.0
CD1 D:LEU96 5.0 12.8 1.0

Reference:

E.Bucci, A.Razynska, H.Kwansa, Z.Gryczynski, J.H.Collins, C.Fronticelli, R.Unger, M.Braxenthaler, J.Moult, X.Ji, G.Gilliland. Positive and Negative Cooperativities at Subsequent Steps of Oxygenation Regulate the Allosteric Behavior of Multistate Sebacylhemoglobin. Biochemistry V. 35 3418 1996.
ISSN: ISSN 0006-2960
PubMed: 8639491
DOI: 10.1021/BI952446B
Page generated: Wed Jul 16 13:00:04 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy