Aluminium in PDB 3cf1: Structure of P97/Vcp in Complex with Adp/Adp.Alfx

The structure of Structure of P97/Vcp in Complex with Adp/Adp.Alfx, PDB code: 3cf1 was solved by J.M.Davies, B.Delabarre, A.T.Brunger, W.I.Weis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.87 / 4.40
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	162.660, 178.020, 321.140, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 28.6

The structure of Structure of P97/Vcp in Complex with Adp/Adp.Alfx also contains other interesting chemical elements:

Fluorine

(F)

9 atoms

The binding sites of Aluminium atom in the Structure of P97/Vcp in Complex with Adp/Adp.Alfx (pdb code 3cf1). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total 3 binding sites of Aluminium where determined in the Structure of P97/Vcp in Complex with Adp/Adp.Alfx, PDB code: 3cf1:
Jump to Aluminium binding site number: 1; 2; 3;

Aluminium binding site 1 out of 3 in the Structure of P97/Vcp in Complex with Adp/Adp.Alfx


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Structure of P97/Vcp in Complex with Adp/Adp.Alfx within 5.0Å range: probe atom residue distance (Å) B Occ A:Al915 b:0.3 occ:0.94 AL A:AF3915 0.0 0.3 0.9 O2B A:ADP900 1.8 0.3 1.0 F2 A:AF3915 1.9 0.3 0.9 F3 A:AF3915 1.9 0.3 0.9 F1 A:AF3915 1.9 0.3 0.9 O3B A:ADP900 2.4 0.3 1.0 PB A:ADP900 2.6 0.3 1.0 O1B A:ADP900 3.5 0.3 1.0 CB A:LYS524 3.6 0.5 1.0 CG A:LYS524 3.8 0.5 1.0 N A:LYS524 3.8 0.1 1.0 O3A A:ADP900 3.8 0.3 1.0 CD A:LYS524 3.9 0.5 1.0 N A:GLY521 4.1 0.3 1.0 CA A:PRO520 4.1 0.1 1.0 N A:CYS522 4.2 0.4 1.0 CA A:LYS524 4.3 0.1 1.0 C A:PRO520 4.4 0.1 1.0 O A:PRO519 4.5 0.5 1.0 N A:GLY523 4.5 0.5 1.0 NZ A:LYS524 4.6 0.5 1.0 C A:CYS522 4.7 0.4 1.0 N A:THR525 4.8 0.8 1.0 CE A:LYS524 4.8 0.5 1.0 C A:GLY523 4.8 0.5 1.0 CA A:CYS522 4.9 0.4 1.0 N A:PRO520 5.0 0.1 1.0 CA A:GLY523 5.0 0.5 1.0 CB A:CYS522 5.0 0.5 1.0

Aluminium binding site 2 out of 3 in the Structure of P97/Vcp in Complex with Adp/Adp.Alfx


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Structure of P97/Vcp in Complex with Adp/Adp.Alfx within 5.0Å range: probe atom residue distance (Å) B Occ B:Al915 b:0.3 occ:0.94 AL B:AF3915 0.0 0.3 0.9 F1 B:AF3915 1.9 0.3 0.9 F3 B:AF3915 1.9 0.3 0.9 F2 B:AF3915 1.9 0.3 0.9 O2B B:ADP900 2.4 0.3 1.0 N B:GLY521 3.0 0.0 1.0 PB B:ADP900 3.0 0.3 1.0 O3B B:ADP900 3.0 0.3 1.0 O1B B:ADP900 3.2 0.3 1.0 CA B:PRO520 3.4 0.2 1.0 CE B:LYS524 3.4 0.0 1.0 C B:PRO520 3.4 0.2 1.0 N B:CYS522 3.6 0.2 1.0 NZ B:LYS524 3.6 0.0 1.0 O B:PRO519 3.7 0.1 1.0 CA B:GLY521 3.9 0.0 1.0 CG B:LYS524 4.1 0.0 1.0 N B:PRO520 4.2 0.2 1.0 CB B:LYS524 4.3 0.0 1.0 C B:GLY521 4.3 0.0 1.0 CD B:LYS524 4.3 0.0 1.0 C B:PRO519 4.3 0.1 1.0 O B:PRO520 4.4 0.2 1.0 N B:LYS524 4.5 0.2 1.0 CB B:PRO520 4.5 0.3 1.0 O3A B:ADP900 4.5 0.3 1.0 CA B:CYS522 4.6 0.2 1.0 N B:GLY523 4.7 0.3 1.0 CB B:CYS522 4.8 0.6 1.0 C B:CYS522 4.9 0.2 1.0 CA B:LYS524 5.0 0.2 1.0

Aluminium binding site 3 out of 3 in the Structure of P97/Vcp in Complex with Adp/Adp.Alfx


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 3 of Structure of P97/Vcp in Complex with Adp/Adp.Alfx within 5.0Å range: probe atom residue distance (Å) B Occ C:Al915 b:0.3 occ:0.94 AL C:AF3915 0.0 0.3 0.9 O2B C:ADP900 1.8 0.3 1.0 F2 C:AF3915 1.8 0.3 0.9 F3 C:AF3915 1.8 0.3 0.9 F1 C:AF3915 1.9 0.3 0.9 O3B C:ADP900 2.3 0.3 1.0 PB C:ADP900 2.4 0.3 1.0 O1B C:ADP900 3.1 0.3 1.0 O3A C:ADP900 3.8 0.3 1.0 N C:GLY521 3.8 0.3 1.0 N C:GLY523 3.9 0.5 1.0 N C:LYS524 3.9 0.7 1.0 CA C:PRO520 4.1 0.2 1.0 CD C:LYS524 4.1 0.2 1.0 CG C:LYS524 4.1 0.2 1.0 CB C:LYS524 4.2 0.2 1.0 N C:CYS522 4.3 1.0 1.0 NZ C:LYS524 4.4 0.2 1.0 CA C:GLY523 4.4 0.5 1.0 C C:PRO520 4.5 0.2 1.0 CB C:CYS522 4.5 0.3 1.0 C C:GLY523 4.6 0.5 1.0 CA C:LYS524 4.7 0.7 1.0 CE C:LYS524 4.8 0.2 1.0 O C:PRO519 4.8 0.3 1.0 C C:GLY521 4.8 0.3 1.0 CA C:CYS522 4.8 1.0 1.0 C C:CYS522 4.8 1.0 1.0 CA C:GLY521 4.8 0.3 1.0 CB C:PRO520 4.9 0.5 1.0 N C:PRO520 4.9 0.2 1.0

J.M.Davies, A.T.Brunger, W.I.Weis. Improved Structures of Full-Length P97, An Aaa Atpase: Implications For Mechanisms of Nucleotide-Dependent Conformational Change. Structure V. 16 715 2008.
ISSN: ISSN 0969-2126
PubMed: 18462676
DOI: 10.1016/J.STR.2008.02.010