Arsenic in PDB 2vdl: Re-Refinement of Integrin ALPHAIIBBETA3 Headpiece

The structure of Re-Refinement of Integrin ALPHAIIBBETA3 Headpiece, PDB code: 2vdl was solved by T.A.Springer, J.Zhu, T.Xiao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.99 / 2.75
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	148.927, 148.927, 176.398, 90.00, 90.00, 120.00
R / Rfree (%)	14.4 / 19.1

The structure of Re-Refinement of Integrin ALPHAIIBBETA3 Headpiece also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Calcium	(Ca)	6 atoms

The binding sites of Arsenic atom in the Re-Refinement of Integrin ALPHAIIBBETA3 Headpiece (pdb code 2vdl). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Re-Refinement of Integrin ALPHAIIBBETA3 Headpiece, PDB code: 2vdl:

Arsenic binding site 1 out of 1 in the Re-Refinement of Integrin ALPHAIIBBETA3 Headpiece


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Re-Refinement of Integrin ALPHAIIBBETA3 Headpiece within 5.0Å range: probe atom residue distance (Å) B Occ B:As1462 b:55.9 occ:1.00 AS B:CAC1462 0.0 55.9 1.0 O2 B:CAC1462 1.7 51.3 1.0 O1 B:CAC1462 1.7 53.5 1.0 C1 B:CAC1462 2.0 52.9 1.0 C2 B:CAC1462 2.0 53.5 1.0 ND2 B:ASN215 3.4 36.0 1.0 MG B:MG2001 3.5 23.3 1.0 O B:ASN215 3.6 29.2 1.0 O B:HOH4099 3.6 21.5 1.0 N B:SER123 3.7 39.3 1.0 OE1 B:GLU220 3.7 39.4 1.0 N B:TYR122 3.8 36.4 1.0 CB B:TYR122 4.1 38.6 1.0 O B:HOH4016 4.1 42.5 1.0 O B:HOH4101 4.1 22.2 1.0 CB B:SER121 4.2 32.7 1.0 CA B:TYR122 4.2 37.7 1.0 N B:ASN215 4.2 35.5 1.0 CB B:SER123 4.3 40.4 1.0 OG B:SER123 4.4 40.8 1.0 C B:TYR122 4.4 37.4 1.0 C B:ASN215 4.4 32.8 1.0 OG B:SER121 4.4 32.6 1.0 CG B:ASN215 4.5 35.9 1.0 CA B:SER123 4.5 40.6 1.0 C B:SER121 4.6 34.2 1.0 CD B:GLU220 4.8 39.5 1.0 CA B:ASN215 4.8 34.3 1.0 CA B:SER121 4.9 31.6 1.0 O B:HOH4100 4.9 42.5 1.0 O B:ASP217 5.0 37.8 1.0

T.A.Springer, J.Zhu, T.Xiao. Structural Basis For Distinctive Recognition of Fibrinogen Gammac Peptide By the Platelet Integrin ALPHAIIBBETA3. J.Cell Biol. V. 182 791 2008.
ISSN: ISSN 0021-9525
PubMed: 18710925
DOI: 10.1083/JCB.200801146