Aluminium in PDB 3ruw: Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis

The structure of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis, PDB code: 3ruw was solved by J.H.Pereira, C.Y.Ralston, N.R.Douglas, R.Kumar, R.P.Mcandrew, K.M.Knee, J.A.King, J.Frydman, P.D.Adams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.97 / 2.70
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	162.552, 184.464, 185.495, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 22.7

The structure of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis also contains other interesting chemical elements:

Fluorine	(F)	12 atoms
Magnesium	(Mg)	4 atoms

The binding sites of Aluminium atom in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis (pdb code 3ruw). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total 4 binding sites of Aluminium where determined in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis, PDB code: 3ruw:
Jump to Aluminium binding site number: 1; 2; 3; 4;

Aluminium binding site 1 out of 4 in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis within 5.0Å range: probe atom residue distance (Å) B Occ A:Al546 b:45.6 occ:1.00 AL A:AF3546 0.0 45.6 1.0 F3 A:AF3546 1.7 55.2 1.0 F2 A:AF3546 1.7 58.2 1.0 F1 A:AF3546 1.7 44.5 1.0 O1B A:ADP545 2.0 32.0 1.0 PB A:ADP545 3.2 26.6 1.0 OG1 A:THR93 3.4 38.2 1.0 O A:HOH580 3.4 62.2 1.0 O3B A:ADP545 3.6 34.4 1.0 OD1 A:ASP60 3.7 50.9 1.0 OD1 A:ASP91 3.8 48.9 1.0 N A:GLY61 3.8 32.7 1.0 N A:THR93 3.9 32.5 1.0 O A:HOH551 4.0 37.0 1.0 O A:HOH550 4.0 35.0 1.0 NZ A:LYS161 4.0 66.1 1.0 O3A A:ADP545 4.1 42.5 1.0 N A:GLY92 4.1 32.3 1.0 MG A:MG544 4.1 39.7 1.0 O2A A:ADP545 4.2 36.1 1.0 OG1 A:THR94 4.2 29.5 1.0 N A:THR94 4.2 30.5 1.0 OD2 A:ASP386 4.3 57.8 1.0 O2B A:ADP545 4.4 39.8 1.0 CB A:THR93 4.4 35.8 1.0 CA A:ASP60 4.5 40.0 1.0 CG A:ASP60 4.5 51.3 1.0 CA A:GLY61 4.6 33.4 1.0 C A:ASP60 4.6 35.2 1.0 CA A:THR93 4.6 34.7 1.0 CA A:GLY92 4.6 25.4 1.0 PA A:ADP545 4.7 30.4 1.0 CG2 A:THR93 4.7 27.8 1.0 C A:GLY92 4.7 28.9 1.0 CB A:THR94 4.7 25.3 1.0 O A:HOH549 4.8 52.5 1.0 O A:ASN59 4.8 31.7 1.0 CG A:ASP386 4.9 58.3 1.0 C A:ASP91 5.0 32.5 1.0 C A:THR93 5.0 31.6 1.0

Aluminium binding site 2 out of 4 in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis within 5.0Å range: probe atom residue distance (Å) B Occ B:Al546 b:46.6 occ:1.00 AL B:AF3546 0.0 46.6 1.0 F3 B:AF3546 1.7 63.9 1.0 F2 B:AF3546 1.7 71.5 1.0 F1 B:AF3546 1.7 42.6 1.0 O1B B:ADP545 1.8 40.6 1.0 PB B:ADP545 3.2 33.6 1.0 OG1 B:THR93 3.5 38.7 1.0 MG B:MG544 3.6 39.8 1.0 O B:HOH549 3.7 39.7 1.0 OD1 B:ASP91 3.7 51.2 1.0 O3B B:ADP545 3.7 39.3 1.0 OD1 B:ASP60 3.7 61.5 1.0 O B:HOH563 3.7 49.2 1.0 NZ B:LYS161 3.9 64.0 1.0 N B:THR93 3.9 31.1 1.0 O2A B:ADP545 4.0 29.8 1.0 O3A B:ADP545 4.0 49.0 1.0 N B:GLY61 4.1 34.5 1.0 N B:GLY92 4.1 42.5 1.0 O B:HOH550 4.2 63.3 1.0 O2B B:ADP545 4.3 39.6 1.0 N B:THR94 4.3 34.7 1.0 OG1 B:THR94 4.3 32.8 1.0 O B:HOH551 4.3 50.8 1.0 CB B:THR93 4.5 39.4 1.0 OD2 B:ASP386 4.5 61.3 1.0 PA B:ADP545 4.5 40.1 1.0 CA B:ASP60 4.6 47.4 1.0 CG B:ASP60 4.6 57.2 1.0 CA B:THR93 4.7 37.8 1.0 CA B:GLY92 4.7 35.8 1.0 C B:GLY92 4.8 35.6 1.0 C B:ASP60 4.8 44.1 1.0 CG2 B:THR93 4.8 28.6 1.0 O B:ASN59 4.9 33.8 1.0 CG B:ASP91 4.9 48.7 1.0 CA B:GLY61 4.9 33.1 1.0 CB B:THR94 4.9 32.9 1.0 OD1 B:ASP386 4.9 78.7 1.0 CA B:ASP91 4.9 41.1 1.0 C B:ASP91 4.9 42.5 1.0 CG B:ASP386 5.0 67.5 1.0

Aluminium binding site 3 out of 4 in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 3 of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis within 5.0Å range: probe atom residue distance (Å) B Occ C:Al546 b:38.1 occ:1.00 AL C:AF3546 0.0 38.1 1.0 F1 C:AF3546 1.7 38.9 1.0 F3 C:AF3546 1.7 61.8 1.0 F2 C:AF3546 1.7 56.9 1.0 O1B C:ADP545 1.8 33.1 1.0 PB C:ADP545 3.1 26.7 1.0 O C:HOH578 3.4 47.2 1.0 O3B C:ADP545 3.5 34.1 1.0 MG C:MG544 3.6 33.5 1.0 OG1 C:THR93 3.8 29.7 1.0 O3A C:ADP545 3.8 33.5 1.0 OD1 C:ASP60 3.8 49.8 1.0 OD1 C:ASP91 3.8 44.4 1.0 O C:HOH579 3.9 49.9 1.0 NZ C:LYS161 3.9 66.4 1.0 O2A C:ADP545 3.9 32.2 1.0 O C:HOH550 4.0 41.1 1.0 N C:GLY61 4.0 37.4 1.0 N C:THR93 4.1 31.4 1.0 OG1 C:THR94 4.2 30.9 1.0 O2B C:ADP545 4.3 48.9 1.0 N C:THR94 4.3 29.4 1.0 N C:GLY92 4.3 35.6 1.0 PA C:ADP545 4.4 32.7 1.0 CA C:ASP60 4.5 45.1 1.0 O C:HOH549 4.6 41.8 1.0 OD2 C:ASP386 4.6 59.6 1.0 CB C:THR94 4.6 29.3 1.0 O C:ASN59 4.7 24.2 1.0 CG C:ASP60 4.7 51.2 1.0 CB C:THR93 4.8 37.0 1.0 CA C:GLY92 4.8 37.4 1.0 C C:ASP60 4.8 44.2 1.0 CA C:THR93 4.9 33.6 1.0 CA C:GLY61 4.9 33.5 1.0 C C:GLY92 4.9 41.3 1.0 O1A C:ADP545 4.9 31.2 1.0 OD1 C:ASP386 5.0 76.4 1.0

Aluminium binding site 4 out of 4 in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 4 of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis within 5.0Å range: probe atom residue distance (Å) B Occ D:Al546 b:51.4 occ:1.00 AL D:AF3546 0.0 51.4 1.0 F3 D:AF3546 1.7 50.9 1.0 F1 D:AF3546 1.7 40.4 1.0 F2 D:AF3546 1.7 57.7 1.0 O3B D:ADP545 1.8 43.6 1.0 PB D:ADP545 3.0 32.9 1.0 O D:HOH562 3.4 54.4 1.0 O1B D:ADP545 3.5 36.1 1.0 O3A D:ADP545 3.5 0.2 1.0 OD1 D:ASP91 3.6 62.6 1.0 OG1 D:THR93 3.7 35.1 1.0 OD1 D:ASP60 3.8 62.3 1.0 MG D:MG544 3.8 56.4 1.0 O2A D:ADP545 4.0 49.3 1.0 NZ D:LYS161 4.0 67.8 1.0 N D:THR93 4.1 31.8 1.0 N D:GLY61 4.1 34.2 1.0 N D:GLY92 4.2 39.5 1.0 OG1 D:THR94 4.2 37.8 1.0 O D:HOH563 4.2 52.8 1.0 N D:THR94 4.3 32.1 1.0 O2B D:ADP545 4.3 41.0 1.0 OD2 D:ASP386 4.3 63.0 1.0 PA D:ADP545 4.3 37.3 1.0 O D:HOH565 4.5 60.6 1.0 CA D:ASP60 4.6 43.9 1.0 CG D:ASP60 4.6 57.8 1.0 CB D:THR93 4.7 35.4 1.0 O D:HOH549 4.7 37.5 1.0 CB D:THR94 4.8 36.7 1.0 CA D:GLY92 4.8 35.0 1.0 CA D:THR93 4.8 27.8 1.0 O D:ASN59 4.8 35.0 1.0 C D:GLY92 4.8 38.6 1.0 C D:ASP60 4.9 40.5 1.0 CG D:ASP91 4.9 56.1 1.0 CG2 D:THR93 4.9 30.9 1.0 CA D:GLY61 4.9 36.9 1.0 O1A D:ADP545 5.0 46.0 1.0

J.H.Pereira, C.Y.Ralston, N.R.Douglas, R.Kumar, T.Lopez, R.P.Mcandrew, K.M.Knee, J.A.King, J.Frydman, P.D.Adams. Mechanism of Nucleotide Sensing in Group II Chaperonins. Embo J. V. 31 731 2012.
ISSN: ISSN 0261-4189
PubMed: 22193720
DOI: 10.1038/EMBOJ.2011.468