Chlorine in PDB 4neh: An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2

The structure of An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2, PDB code: 4neh was solved by M.Sen, K.Yuki, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.66 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	126.967, 131.444, 190.477, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.5

The structure of An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2 also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Calcium	(Ca)	5 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2 (pdb code 4neh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2, PDB code: 4neh:

Chlorine binding site 1 out of 1 in the An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1120 b:82.1 occ:1.00 MG A:MG1102 2.2 69.7 1.0 OG1 A:THR207 2.9 64.9 1.0 O A:HOH1268 3.2 92.0 1.0 CB A:SER140 3.4 65.1 1.0 OG A:SER140 3.5 64.2 1.0 O A:GLY205 3.6 88.8 1.0 OG A:SER142 3.7 75.8 1.0 N A:SER142 3.7 67.8 1.0 N A:GLY141 3.8 81.2 1.0 C A:PHE206 3.9 64.9 1.0 CB A:SER142 3.9 64.2 1.0 CA A:PHE206 3.9 62.4 1.0 N A:THR207 4.1 63.9 1.0 CB A:THR207 4.1 62.0 1.0 O A:PHE206 4.3 73.4 1.0 O A:HOH1245 4.3 60.9 1.0 CA A:GLY141 4.4 78.3 1.0 CA A:SER142 4.4 70.8 1.0 C A:SER140 4.4 78.5 1.0 C A:GLY141 4.4 72.9 1.0 CA A:SER140 4.5 62.6 1.0 C A:GLY205 4.6 77.1 1.0 CA A:THR207 4.7 62.6 1.0 N A:PHE206 4.8 71.4 1.0 OE1 A:GLU244 5.0 0.9 1.0

M.Sen, K.Yuki, T.A.Springer. An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, Alpha X Beta 2. J.Cell Biol. V. 203 629 2013.
ISSN: ISSN 0021-9525
PubMed: 24385486
DOI: 10.1083/JCB.201308083