Arsenic 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
Chlorine	(Cl)	3 atoms
Calcium	(Ca)	10 atoms

The binding sites of Arsenic atom in the Crystal Structure of Alpha V Beta 6 (pdb code 4um8). 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 Alpha V Beta 6, PDB code: 4um8:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Crystal Structure of Alpha V Beta 6


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 Alpha V Beta 6 within 5.0Å range: probe atom residue distance (Å) B Occ B:As1442 b:0.6 occ:1.00 AS B:CAC1442 0.0 0.6 1.0 O2 B:CAC1442 1.7 69.0 1.0 O1 B:CAC1442 1.7 80.6 1.0 C1 B:CAC1442 2.0 37.3 1.0 C2 B:CAC1442 2.0 85.0 1.0 N B:GLN105 3.8 78.4 1.0 CB B:GLN105 4.1 0.4 1.0 O B:HOH4002 4.1 56.8 1.0 O B:GLN105 4.2 86.0 1.0 CA B:GLN105 4.4 80.9 1.0 CG B:GLN105 4.5 0.5 1.0 CA B:LEU104 4.8 57.2 1.0 C B:LEU104 4.8 70.3 1.0 C B:GLN105 4.8 73.2 1.0

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


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 Alpha V Beta 6 within 5.0Å range: probe atom residue distance (Å) B Occ D:As1442 b:0.8 occ:1.00 AS D:CAC1442 0.0 0.8 1.0 O1 D:CAC1442 1.7 51.7 1.0 O2 D:CAC1442 1.7 0.6 1.0 C1 D:CAC1442 2.0 28.5 1.0 C2 D:CAC1442 2.0 97.0 1.0 N D:GLN105 4.1 70.1 1.0 O D:GLN105 4.1 63.6 1.0 CB D:GLN105 4.4 76.5 1.0 CD1 D:LEU92 4.4 59.2 1.0 CA D:GLN105 4.7 69.1 1.0 CG2 D:ILE67 4.7 92.0 1.0 C D:GLN105 4.8 74.2 1.0 CG D:GLN105 4.9 72.3 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