Atomistry » Nickel » PDB 5tvr-5xgz » 5x2u
Atomistry »
  Nickel »
    PDB 5tvr-5xgz »
      5x2u »

Nickel in PDB 5x2u: Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7.

Protein crystallography data

The structure of Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7., PDB code: 5x2u was solved by M.Ohki, S.-Y.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.74 / 2.53
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 228.886, 55.812, 139.963, 90.00, 102.39, 90.00
R / Rfree (%) 23.1 / 27.4

Other elements in 5x2u:

The structure of Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7. also contains other interesting chemical elements:

Iron (Fe) 6 atoms

Nickel Binding Sites:

The binding sites of Nickel atom in the Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7. (pdb code 5x2u). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 6 binding sites of Nickel where determined in the Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7., PDB code: 5x2u:
Jump to Nickel binding site number: 1; 2; 3; 4; 5; 6;

Nickel binding site 1 out of 6 in 5x2u

Go back to Nickel Binding Sites List in 5x2u
Nickel binding site 1 out of 6 in the Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7.


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni201

b:59.5
occ:1.00
NI A:HNI201 0.0 59.5 1.0
ND A:HNI201 1.9 60.5 1.0
NA A:HNI201 2.0 59.9 1.0
NB A:HNI201 2.0 58.5 1.0
NC A:HNI201 2.0 59.2 1.0
NE2 A:HIS87 2.2 83.5 1.0
C1D A:HNI201 3.0 61.2 1.0
C4D A:HNI201 3.0 61.3 1.0
C4B A:HNI201 3.0 58.4 1.0
C1B A:HNI201 3.0 58.8 1.0
C1C A:HNI201 3.0 58.6 1.0
C4A A:HNI201 3.0 59.6 1.0
C4C A:HNI201 3.0 59.9 1.0
C1A A:HNI201 3.0 60.5 1.0
CD2 A:HIS87 3.1 84.5 1.0
CE1 A:HIS87 3.2 83.3 1.0
CHC A:HNI201 3.3 58.8 1.0
CHB A:HNI201 3.4 59.6 1.0
CHA A:HNI201 3.4 61.5 1.0
CHD A:HNI201 3.4 61.3 1.0
C3A A:HNI201 4.2 60.5 1.0
C2A A:HNI201 4.2 61.0 1.0
C2D A:HNI201 4.2 62.5 1.0
NE2 A:HIS58 4.2 71.6 1.0
C3C A:HNI201 4.2 59.9 1.0
C2C A:HNI201 4.2 59.2 1.0
CG A:HIS87 4.2 83.5 1.0
C3D A:HNI201 4.2 62.6 1.0
C2B A:HNI201 4.3 58.6 1.0
C3B A:HNI201 4.3 58.6 1.0
ND1 A:HIS87 4.3 84.8 1.0
CE1 A:HIS58 4.5 71.3 1.0
CG2 A:VAL62 5.0 60.4 1.0

Nickel binding site 2 out of 6 in 5x2u

Go back to Nickel Binding Sites List in 5x2u
Nickel binding site 2 out of 6 in the Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7.


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ni201

b:75.9
occ:1.00
NI D:HNI201 0.0 75.9 1.0
NC D:HNI201 2.0 75.0 1.0
NB D:HNI201 2.0 74.5 1.0
NA D:HNI201 2.0 77.0 1.0
ND D:HNI201 2.0 77.6 1.0
NE2 D:HIS92 2.1 71.4 1.0
C1B D:HNI201 3.0 75.0 1.0
C4B D:HNI201 3.0 73.9 1.0
C1D D:HNI201 3.0 78.2 1.0
C4C D:HNI201 3.0 75.8 1.0
C1C D:HNI201 3.0 74.0 1.0
CD2 D:HIS92 3.0 71.4 1.0
C4D D:HNI201 3.0 79.2 1.0
C4A D:HNI201 3.0 76.8 1.0
C1A D:HNI201 3.1 78.5 1.0
CE1 D:HIS92 3.1 71.2 1.0
CHB D:HNI201 3.4 76.3 1.0
CHC D:HNI201 3.4 74.2 1.0
CHD D:HNI201 3.4 77.8 1.0
CHA D:HNI201 3.4 79.8 1.0
CG D:HIS92 4.2 70.0 1.0
ND1 D:HIS92 4.2 71.9 1.0
C2B D:HNI201 4.2 74.5 1.0
C3C D:HNI201 4.2 75.5 1.0
C2C D:HNI201 4.2 74.5 1.0
C3A D:HNI201 4.3 78.3 1.0
C3B D:HNI201 4.3 74.1 1.0
C2A D:HNI201 4.3 79.3 1.0
C2D D:HNI201 4.3 80.2 1.0
C3D D:HNI201 4.3 80.9 1.0
NE2 D:HIS63 4.5 84.2 1.0
CG2 D:VAL67 4.8 76.2 1.0

Nickel binding site 3 out of 6 in 5x2u

Go back to Nickel Binding Sites List in 5x2u
Nickel binding site 3 out of 6 in the Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7.


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ni201

b:61.7
occ:1.00
NI E:HNI201 0.0 61.7 1.0
ND E:HNI201 1.9 62.9 1.0
NC E:HNI201 2.0 61.4 1.0
NB E:HNI201 2.0 60.6 1.0
NA E:HNI201 2.0 62.2 1.0
NE2 E:HIS87 2.4 91.3 1.0
C1D E:HNI201 2.9 63.7 1.0
C4B E:HNI201 2.9 60.4 1.0
C4D E:HNI201 3.0 63.9 1.0
C1C E:HNI201 3.0 60.6 1.0
C4C E:HNI201 3.0 62.1 1.0
C1B E:HNI201 3.0 60.9 1.0
C4A E:HNI201 3.0 61.9 1.0
C1A E:HNI201 3.0 63.0 1.0
CHC E:HNI201 3.3 60.8 1.0
CHD E:HNI201 3.3 63.7 1.0
CE1 E:HIS87 3.4 91.1 1.0
CD2 E:HIS87 3.4 92.0 1.0
CHB E:HNI201 3.4 61.7 1.0
CHA E:HNI201 3.4 64.1 1.0
CE1 E:HIS58 4.1 83.6 1.0
C2D E:HNI201 4.2 65.1 1.0
C3B E:HNI201 4.2 60.5 1.0
C3C E:HNI201 4.2 62.0 1.0
C2C E:HNI201 4.2 61.2 1.0
C2B E:HNI201 4.2 60.6 1.0
C3D E:HNI201 4.3 65.3 1.0
C3A E:HNI201 4.3 62.8 1.0
C2A E:HNI201 4.3 63.5 1.0
ND1 E:HIS87 4.5 92.5 1.0
CG E:HIS87 4.5 91.1 1.0
CG2 E:VAL62 4.7 66.8 1.0
NE2 E:HIS58 4.8 84.9 1.0

Nickel binding site 4 out of 6 in 5x2u

Go back to Nickel Binding Sites List in 5x2u
Nickel binding site 4 out of 6 in the Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7.


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7. within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ni201

b:69.8
occ:1.00
NI H:HNI201 0.0 69.8 1.0
NA H:HNI201 1.9 70.3 1.0
NB H:HNI201 2.0 68.5 1.0
ND H:HNI201 2.0 71.1 1.0
NC H:HNI201 2.0 69.5 1.0
NE2 H:HIS92 2.2 71.3 1.0
C4D H:HNI201 3.0 72.2 1.0
C1B H:HNI201 3.0 68.8 1.0
C1A H:HNI201 3.0 71.3 1.0
C1D H:HNI201 3.0 72.0 1.0
C4A H:HNI201 3.0 70.0 1.0
C4B H:HNI201 3.0 68.2 1.0
C4C H:HNI201 3.0 70.4 1.0
C1C H:HNI201 3.0 68.7 1.0
CE1 H:HIS92 3.1 71.3 1.0
CD2 H:HIS92 3.2 72.1 1.0
CHA H:HNI201 3.4 72.4 1.0
CHB H:HNI201 3.4 69.8 1.0
CHC H:HNI201 3.4 68.7 1.0
CHD H:HNI201 3.4 72.1 1.0
C2A H:HNI201 4.2 71.8 1.0
C3A H:HNI201 4.2 71.2 1.0
C2B H:HNI201 4.2 68.4 1.0
C2C H:HNI201 4.2 69.4 1.0
C3C H:HNI201 4.3 70.4 1.0
C3D H:HNI201 4.3 73.7 1.0
C2D H:HNI201 4.3 73.6 1.0
ND1 H:HIS92 4.3 72.8 1.0
C3B H:HNI201 4.3 68.3 1.0
CG H:HIS92 4.3 71.1 1.0
CG2 H:VAL67 4.3 77.8 1.0
NE2 H:HIS63 4.6 81.1 1.0

Nickel binding site 5 out of 6 in 5x2u

Go back to Nickel Binding Sites List in 5x2u
Nickel binding site 5 out of 6 in the Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7.


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 5 of Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7. within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Ni201

b:60.0
occ:1.00
NI I:HNI201 0.0 60.0 1.0
NB I:HNI201 2.0 59.1 1.0
ND I:HNI201 2.0 61.2 1.0
NC I:HNI201 2.0 59.5 1.0
NA I:HNI201 2.0 60.9 1.0
NE2 I:HIS87 2.3 87.2 1.0
CE1 I:HIS87 2.9 87.0 1.0
C4B I:HNI201 3.0 58.9 1.0
C1D I:HNI201 3.0 61.7 1.0
C4D I:HNI201 3.0 62.3 1.0
C1B I:HNI201 3.0 59.5 1.0
C1C I:HNI201 3.0 58.8 1.0
C4C I:HNI201 3.0 60.0 1.0
C1A I:HNI201 3.0 61.8 1.0
C4A I:HNI201 3.0 60.6 1.0
CHC I:HNI201 3.3 59.3 1.0
CHD I:HNI201 3.4 61.5 1.0
CHA I:HNI201 3.4 62.9 1.0
CHB I:HNI201 3.4 60.4 1.0
CD2 I:HIS87 3.6 87.7 1.0
CE1 I:HIS58 4.0 71.4 1.0
NE2 I:HIS58 4.1 72.2 1.0
ND1 I:HIS87 4.2 88.2 1.0
C2D I:HNI201 4.2 63.1 1.0
C3B I:HNI201 4.2 59.2 1.0
C2A I:HNI201 4.2 62.5 1.0
C3D I:HNI201 4.2 63.6 1.0
C3A I:HNI201 4.2 61.8 1.0
C2B I:HNI201 4.2 59.2 1.0
C3C I:HNI201 4.2 59.8 1.0
C2C I:HNI201 4.3 59.2 1.0
CG I:HIS87 4.5 86.5 1.0
CG2 I:VAL62 4.6 69.8 1.0
CD2 I:LEU91 4.9 77.9 1.0

Nickel binding site 6 out of 6 in 5x2u

Go back to Nickel Binding Sites List in 5x2u
Nickel binding site 6 out of 6 in the Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7.


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 6 of Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 80 Mm Phosphate pH 6.7. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ni201

b:74.2
occ:1.00
NI L:HNI201 0.0 74.2 1.0
NA L:HNI201 2.0 75.0 1.0
NC L:HNI201 2.0 73.6 1.0
ND L:HNI201 2.0 75.5 1.0
NB L:HNI201 2.0 72.9 1.0
NE2 L:HIS92 2.1 71.0 1.0
CE1 L:HIS92 3.0 70.7 1.0
C1D L:HNI201 3.0 76.2 1.0
C1B L:HNI201 3.0 73.2 1.0
C4C L:HNI201 3.0 74.4 1.0
C1C L:HNI201 3.0 72.7 1.0
C4B L:HNI201 3.0 72.5 1.0
C4A L:HNI201 3.0 74.6 1.0
C4D L:HNI201 3.0 76.8 1.0
C1A L:HNI201 3.0 76.0 1.0
CD2 L:HIS92 3.1 72.0 1.0
CHB L:HNI201 3.4 74.3 1.0
CHD L:HNI201 3.4 76.1 1.0
CHC L:HNI201 3.4 72.8 1.0
CHA L:HNI201 3.4 77.2 1.0
ND1 L:HIS92 4.1 72.2 1.0
CG L:HIS92 4.2 71.1 1.0
C2C L:HNI201 4.2 73.4 1.0
C2A L:HNI201 4.2 76.7 1.0
C3A L:HNI201 4.2 75.9 1.0
C2B L:HNI201 4.3 72.8 1.0
C3C L:HNI201 4.3 74.2 1.0
C2D L:HNI201 4.3 77.9 1.0
C3B L:HNI201 4.3 72.6 1.0
C3D L:HNI201 4.3 78.3 1.0
CG2 L:VAL67 4.5 83.0 1.0
NE2 L:HIS63 4.9 92.8 1.0

Reference:

N.Shibayama, M.Ohki, J.R.H.Tame, S.Y.Park. Direct Observation of Conformational Population Shifts in Crystalline Human Hemoglobin. J. Biol. Chem. V. 292 18258 2017.
ISSN: ESSN 1083-351X
PubMed: 28931607
DOI: 10.1074/JBC.M117.781146
Page generated: Thu Oct 10 08:10:42 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy