Chlorine in PDB 4um8: Crystal Structure of Alpha V Beta 6

The structure of Crystal Structure of Alpha V Beta 6, PDB code: 4um8 was solved by X.Dong, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.656 / 2.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	184.450, 170.010, 102.390, 90.00, 98.68, 90.00
R / Rfree (%)	23.84 / 28.08

The structure of Crystal Structure of Alpha V Beta 6 also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Magnesium	(Mg)	2 atoms
Arsenic	(As)	2 atoms
Calcium	(Ca)	10 atoms

The binding sites of Chlorine atom in the Crystal Structure of Alpha V Beta 6 (pdb code 4um8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Alpha V Beta 6, PDB code: 4um8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Alpha V Beta 6


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 Alpha V Beta 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1595 b:75.7 occ:1.00 OG A:SER90 2.5 0.2 1.0 ND2 A:ASN77 3.1 76.2 1.0 CB A:SER90 3.4 81.0 1.0 N A:SER90 3.9 56.6 1.0 CA A:PHE88 4.0 54.6 1.0 CB A:PHE88 4.1 53.9 1.0 CD1 A:PHE88 4.1 62.3 1.0 CG A:ASN77 4.2 68.8 1.0 CA A:SER90 4.3 67.7 1.0 C A:PHE88 4.4 59.6 1.0 N A:LYS89 4.4 53.4 1.0 CG A:PHE88 4.6 56.0 1.0 OD1 A:ASN77 4.6 69.9 1.0 O A:GLY49 4.8 62.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Alpha V Beta 6


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 Alpha V Beta 6 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1595 b:0.1 occ:0.50 OG C:SER528 3.6 0.1 1.0 N C:LEU532 3.7 0.7 1.0 CA C:GLY531 4.0 0.1 1.0 C C:GLY531 4.3 0.6 1.0 O C:LEU532 4.4 0.4 1.0 CA C:LEU532 4.6 0.8 1.0 CB C:LEU532 4.6 0.3 1.0 CB C:SER528 4.8 0.7 1.0 C C:LEU532 5.0 0.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Alpha V Beta 6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Alpha V Beta 6 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1596 b:96.5 occ:1.00 OG C:SER90 2.9 0.7 1.0 ND2 C:ASN77 3.2 0.1 1.0 CB C:SER90 3.4 0.9 1.0 CA C:PHE88 3.9 0.7 1.0 CD1 C:PHE88 4.0 0.7 1.0 CB C:PHE88 4.0 0.4 1.0 N C:SER90 4.0 0.6 1.0 C C:PHE88 4.3 0.8 1.0 CA C:SER90 4.3 0.7 1.0 CG C:ASN77 4.3 0.1 1.0 N C:LYS89 4.4 0.4 1.0 CG C:PHE88 4.5 0.2 1.0 OD1 C:ASN77 4.7 0.5 1.0 O C:GLU87 4.9 0.7 1.0

X.Dong, N.E.Hudson, C.Lu, T.A.Springer. Structural Determinants of Integrin Beta-Subunit Specificity For Latent Tgf-Beta Nat.Struct.Mol.Biol. 2014.
ISSN: ESSN 1545-9985
PubMed: 25383667
DOI: 10.1038/NSMB.2905