Magnesium 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
Aluminium	(Al)	4 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis, PDB code: 3ruw:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg544 b:39.7 occ:1.00 O A:HOH553 2.0 51.2 1.0 O A:HOH549 2.1 52.5 1.0 OD1 A:ASP91 2.1 48.9 1.0 O2A A:ADP545 2.3 36.1 1.0 F1 A:AF3546 2.5 44.5 1.0 O3B A:ADP545 2.8 34.4 1.0 CG A:ASP91 2.9 46.8 1.0 OD2 A:ASP91 2.9 48.9 1.0 PA A:ADP545 3.7 30.4 1.0 O A:SER157 3.7 33.2 1.0 PB A:ADP545 4.0 26.6 1.0 OD2 A:ASP386 4.1 57.8 1.0 O A:HOH577 4.1 49.9 1.0 O A:HOH570 4.1 56.2 1.0 AL A:AF3546 4.1 45.6 1.0 O3A A:ADP545 4.2 42.5 1.0 OG A:SER157 4.3 36.6 1.0 CB A:ASP91 4.4 42.6 1.0 O1B A:ADP545 4.4 32.0 1.0 N A:GLY92 4.4 32.3 1.0 O A:HOH580 4.4 62.2 1.0 O5' A:ADP545 4.5 29.7 1.0 C5' A:ADP545 4.5 50.1 1.0 CA A:SER157 4.6 36.8 1.0 C A:SER157 4.6 34.2 1.0 CA A:GLY160 4.6 58.6 1.0 CG A:ASP386 4.7 58.3 1.0 CB A:ASP386 4.7 49.5 1.0 O1A A:ADP545 4.9 29.4 1.0 C A:GLY160 4.9 67.8 1.0 CA A:ASP91 4.9 36.5 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg544 b:39.8 occ:1.00 O B:HOH568 2.0 48.8 1.0 O B:HOH550 2.0 63.3 1.0 OD1 B:ASP91 2.0 51.2 1.0 F1 B:AF3546 2.1 42.6 1.0 O2A B:ADP545 2.2 29.8 1.0 O3B B:ADP545 2.7 39.3 1.0 CG B:ASP91 2.9 48.7 1.0 OD2 B:ASP91 3.1 46.3 1.0 PA B:ADP545 3.5 40.1 1.0 PB B:ADP545 3.6 33.6 1.0 AL B:AF3546 3.6 46.6 1.0 O1B B:ADP545 3.7 40.6 1.0 O3A B:ADP545 4.0 49.0 1.0 O B:SER157 4.0 39.3 1.0 O B:HOH573 4.2 54.2 1.0 O B:HOH574 4.2 85.3 1.0 OD2 B:ASP386 4.2 61.3 1.0 N B:GLY92 4.3 42.5 1.0 CB B:ASP91 4.3 43.8 1.0 F2 B:AF3546 4.4 71.5 1.0 C5' B:ADP545 4.4 44.0 1.0 O5' B:ADP545 4.4 38.6 1.0 O B:HOH549 4.4 39.7 1.0 O B:HOH575 4.5 70.6 1.0 O1A B:ADP545 4.7 29.8 1.0 CG B:ASP386 4.7 67.5 1.0 OG B:SER157 4.7 45.8 1.0 CA B:GLY160 4.8 56.8 1.0 NZ B:LYS161 4.8 64.0 1.0 CA B:ASP91 4.8 41.1 1.0 C B:SER157 4.9 43.3 1.0 CB B:ASP386 5.0 56.1 1.0 C B:GLY160 5.0 62.8 1.0 O2B B:ADP545 5.0 39.6 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg544 b:33.5 occ:1.00 O2A C:ADP545 2.0 32.2 1.0 F1 C:AF3546 2.1 38.9 1.0 O C:HOH569 2.2 42.5 1.0 OD1 C:ASP91 2.3 44.4 1.0 O C:HOH549 2.4 41.8 1.0 O3B C:ADP545 2.4 34.1 1.0 CG C:ASP91 3.0 38.4 1.0 OD2 C:ASP91 3.1 35.4 1.0 PA C:ADP545 3.4 32.7 1.0 PB C:ADP545 3.5 26.7 1.0 AL C:AF3546 3.6 38.1 1.0 O C:HOH580 3.7 53.2 1.0 O3A C:ADP545 3.8 33.5 1.0 O1B C:ADP545 3.9 33.1 1.0 N C:GLY92 4.2 35.6 1.0 O5' C:ADP545 4.2 50.2 1.0 C5' C:ADP545 4.2 60.2 1.0 OD2 C:ASP386 4.3 59.6 1.0 O C:SER157 4.3 37.0 1.0 CB C:ASP91 4.5 31.0 1.0 F2 C:AF3546 4.5 56.9 1.0 O C:HOH578 4.5 47.2 1.0 O1A C:ADP545 4.6 31.2 1.0 OG C:SER157 4.6 50.7 1.0 O C:HOH581 4.7 49.0 1.0 CG C:ASP386 4.8 65.0 1.0 CA C:GLY160 4.8 61.1 1.0 O2B C:ADP545 4.8 48.9 1.0 CA C:GLY92 4.9 37.4 1.0 F3 C:AF3546 4.9 61.8 1.0 CA C:ASP91 4.9 33.2 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg544 b:56.4 occ:1.00 OD1 D:ASP91 1.7 62.6 1.0 O D:HOH558 2.0 54.9 1.0 F1 D:AF3546 2.3 40.4 1.0 CG D:ASP91 2.4 56.1 1.0 OD2 D:ASP91 2.5 53.1 1.0 O2A D:ADP545 2.5 49.3 1.0 O1B D:ADP545 2.6 36.1 1.0 O D:HOH549 2.6 37.5 1.0 PB D:ADP545 3.8 32.9 1.0 AL D:AF3546 3.8 51.4 1.0 CB D:ASP91 3.9 44.6 1.0 PA D:ADP545 3.9 37.3 1.0 N D:GLY92 4.0 39.5 1.0 O D:HOH564 4.0 59.0 1.0 O3B D:ADP545 4.1 43.6 1.0 O D:SER157 4.2 37.5 1.0 OD2 D:ASP386 4.2 63.0 1.0 O3A D:ADP545 4.3 0.2 1.0 O D:HOH566 4.3 85.2 1.0 OG D:SER157 4.4 43.7 1.0 O D:HOH567 4.4 68.3 1.0 CA D:ASP91 4.4 40.2 1.0 C5' D:ADP545 4.5 53.6 1.0 F2 D:AF3546 4.6 57.7 1.0 C D:ASP91 4.7 42.8 1.0 CG D:ASP386 4.7 68.9 1.0 O5' D:ADP545 4.8 69.3 1.0 O D:HOH562 4.8 54.4 1.0 CA D:SER157 4.8 41.1 1.0 CA D:GLY92 4.8 35.0 1.0 CB D:ASP386 4.9 55.8 1.0 C D:SER157 5.0 41.2 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