Atomistry » Arsenic » PDB 4zt2-5hr7 » 5hlo
Atomistry »
  Arsenic »
    PDB 4zt2-5hr7 »
      5hlo »

Arsenic in PDB 5hlo: Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group C2221

Protein crystallography data

The structure of Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group C2221, PDB code: 5hlo 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) 49.20 / 2.10
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 55.980, 90.030, 196.800, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 19.7

Other elements in 5hlo:

The structure of Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group C2221 also contains other interesting chemical elements:

Zinc (Zn) 8 atoms
Calcium (Ca) 8 atoms
Chlorine (Cl) 8 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group C2221 (pdb code 5hlo). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group C2221, PDB code: 5hlo:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 5hlo

Go back to Arsenic Binding Sites List in 5hlo
Arsenic binding site 1 out of 2 in the Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group C2221


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group C2221 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As105

b:56.0
occ:0.92
AS A:CAC105 0.0 56.0 0.9
O1 A:CAC105 1.7 0.6 1.0
O2 A:CAC105 1.7 83.1 0.9
C1 A:CAC105 2.0 30.5 1.0
C2 A:CAC105 2.0 0.3 1.0
ZN A:ZN103 3.2 36.5 1.0
ZN A:ZN104 3.3 62.3 0.9
ND1 C:HIS87 3.8 51.9 1.0
NE2 A:HIS17 3.9 43.3 1.0
CL A:CL108 3.9 64.9 1.0
CD2 A:HIS27 4.0 51.4 1.0
CE1 A:HIS17 4.1 44.6 1.0
NE2 A:HIS27 4.1 58.3 1.0
CL C:CL104 4.3 33.8 1.0
O A:HOH252 4.4 65.7 1.0
CA C:HIS87 4.4 53.1 1.0
CB C:HIS87 4.5 48.8 1.0
CG C:HIS87 4.6 53.2 1.0
NE2 C:HIS91 4.6 78.0 1.0
CD2 A:HIS17 4.6 36.4 1.0
CE1 C:HIS87 4.8 58.8 1.0
ND1 A:HIS17 4.8 40.9 1.0
NE2 C:HIS83 4.9 40.4 1.0
CD2 C:HIS91 5.0 78.3 1.0

Arsenic binding site 2 out of 2 in 5hlo

Go back to Arsenic Binding Sites List in 5hlo
Arsenic binding site 2 out of 2 in the Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group C2221


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Calcium and Zinc-Bound Human S100A8 in Space Group C2221 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As110

b:41.1
occ:0.92
AS B:CAC110 0.0 41.1 0.9
O1 B:CAC110 1.7 39.3 0.9
O2 B:CAC110 1.7 75.1 0.9
C1 B:CAC110 2.0 34.0 1.0
C2 B:CAC110 2.0 40.4 1.0
ZN B:ZN104 3.2 40.8 0.9
ZN B:ZN103 3.2 32.0 1.0
NE2 B:HIS17 3.9 33.2 1.0
ND1 D:HIS87 3.9 45.9 1.0
CE1 B:HIS17 4.0 30.1 1.0
CD2 B:HIS27 4.0 39.5 1.0
CL B:CL107 4.1 83.2 1.0
CL D:CL104 4.2 28.6 1.0
NE2 B:HIS27 4.3 43.9 1.0
NE2 D:HIS91 4.3 65.0 1.0
CA D:HIS87 4.4 42.0 1.0
CB D:HIS87 4.5 42.9 1.0
CD2 B:HIS17 4.6 30.8 1.0
CG D:HIS87 4.7 46.5 1.0
CD2 D:HIS91 4.7 64.8 1.0
ND1 B:HIS17 4.7 32.5 1.0
OG D:SER90 4.9 73.3 1.0
NE2 D:HIS83 4.9 42.6 1.0
CB D:SER90 4.9 65.8 1.0
CE1 D:HIS87 4.9 49.5 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: Mon Jul 7 00:16:31 2025

Last articles

Cl in 2VUT
Cl in 2VV8
Cl in 2VUS
Cl in 2VV6
Cl in 2VV7
Cl in 2VTB
Cl in 2VUB
Cl in 2VUN
Cl in 2VU3
Cl in 2VR4
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy