Atomistry » Chlorine » PDB 5hgl-5hpj » 5hlv
Atomistry »
  Chlorine »
    PDB 5hgl-5hpj »
      5hlv »

Chlorine in PDB 5hlv: Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group P212121

Protein crystallography data

The structure of Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group P212121, PDB code: 5hlv was solved by H.Lin, G.R.Andersen, L.Yatime, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.26 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.930, 85.090, 197.200, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 21.7

Other elements in 5hlv:

The structure of Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group P212121 also contains other interesting chemical elements:

Calcium (Ca) 16 atoms
Zinc (Zn) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group P212121 (pdb code 5hlv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group P212121, PDB code: 5hlv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5hlv

Go back to Chlorine Binding Sites List in 5hlv
Chlorine binding site 1 out of 2 in the Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group P212121


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl105

b:49.5
occ:1.00
ZN F:ZN104 2.3 38.6 1.0
NE2 F:HIS87 3.0 77.7 1.0
ND1 G:HIS27 3.1 63.9 1.0
CB G:HIS27 3.3 50.8 1.0
NE2 F:HIS83 3.4 39.5 1.0
CA G:HIS27 3.5 44.4 1.0
CG G:HIS27 3.6 59.9 1.0
CE1 F:HIS83 3.7 35.9 1.0
CE1 F:HIS87 3.8 79.7 1.0
NE2 G:HIS17 3.8 35.9 1.0
CE2 G:TYR16 3.9 25.2 1.0
O G:PHE26 3.9 37.4 1.0
CD2 F:HIS87 4.0 81.7 1.0
CD2 G:HIS17 4.1 35.3 1.0
CE1 G:HIS27 4.2 69.4 1.0
N G:HIS27 4.4 40.7 1.0
CD2 G:TYR16 4.6 27.4 1.0
C G:PHE26 4.6 40.7 1.0
C G:HIS27 4.6 42.4 1.0
CD2 F:HIS83 4.7 38.4 1.0
O G:HIS27 4.8 41.7 1.0
CD2 G:HIS27 4.9 65.1 1.0
CZ G:TYR16 4.9 30.9 1.0
OG G:SER20 4.9 35.3 1.0
OH G:TYR16 4.9 30.0 1.0
CB G:PHE68 4.9 22.1 1.0
ND1 F:HIS87 5.0 77.8 1.0

Chlorine binding site 2 out of 2 in 5hlv

Go back to Chlorine Binding Sites List in 5hlv
Chlorine binding site 2 out of 2 in the Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group P212121


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl103

b:34.5
occ:1.00
ZN B:ZN105 2.1 30.4 1.0
NE2 H:HIS83 3.3 38.0 1.0
O B:HOH213 3.4 23.6 1.0
NE2 H:HIS87 3.5 63.2 1.0
NE2 B:HIS17 3.5 34.2 1.0
ND1 B:HIS27 3.5 51.2 1.0
O B:HOH222 3.6 37.5 1.0
CE2 B:TYR16 3.7 21.4 1.0
CA B:HIS27 3.7 31.8 1.0
CE1 H:HIS83 3.7 38.3 1.0
CD2 B:HIS17 3.8 33.8 1.0
CB B:HIS27 3.8 38.5 1.0
CG B:HIS27 4.0 48.6 1.0
CE1 H:HIS87 4.0 65.8 1.0
O B:PHE26 4.3 40.1 1.0
CD2 H:HIS87 4.3 61.0 1.0
CD2 B:TYR16 4.3 22.4 1.0
O B:HIS27 4.4 32.4 1.0
C B:HIS27 4.4 29.5 1.0
CE1 B:HIS27 4.5 55.8 1.0
CD2 H:HIS83 4.5 36.8 1.0
CB B:PHE68 4.5 19.3 1.0
CE1 B:HIS17 4.7 39.4 1.0
CZ B:TYR16 4.7 23.8 1.0
N B:HIS27 4.8 33.6 1.0
OG B:SER20 4.8 21.8 1.0
OH B:TYR16 4.8 27.3 1.0
C B:PHE26 4.9 35.3 1.0
ND1 H:HIS87 5.0 63.6 1.0

Reference:

H.Lin, G.R.Andersen, L.Yatime. Crystal Structure of Human S100A8 in Complex with Zinc and Calcium. Bmc Struct.Biol. V. 16 8 2016.
ISSN: ESSN 1472-6807
PubMed: 27251136
DOI: 10.1186/S12900-016-0058-4
Page generated: Sat Dec 12 11:48:51 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy