Magnesium in PDB 1sx3: GROEL14-(Atpgammas)14

The structure of GROEL14-(Atpgammas)14, PDB code: 1sx3 was solved by C.Chaudhry, A.L.Horwich, A.T.Brunger, P.D.Adams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.84 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	135.571, 260.112, 150.200, 90.00, 101.14, 90.00
R / Rfree (%)	24.6 / 26.5

The structure of GROEL14-(Atpgammas)14 also contains other interesting chemical elements:

Potassium

(K)

16 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Magnesium atom in the GROEL14-(Atpgammas)14 (pdb code 1sx3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 14 binding sites of Magnesium where determined in the GROEL14-(Atpgammas)14, PDB code: 1sx3:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 14 in the GROEL14-(Atpgammas)14


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of GROEL14-(Atpgammas)14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg550 b:7.7 occ:1.00 O A:HOH562 1.5 17.0 1.0 O3G A:AGS1 2.1 13.6 1.0 OD1 A:ASP87 2.1 17.9 1.0 O2A A:AGS1 2.2 4.3 1.0 O1B A:AGS1 2.2 10.4 1.0 O A:HOH561 2.2 15.2 1.0 CG A:ASP87 3.2 15.9 1.0 PB A:AGS1 3.3 11.8 1.0 PG A:AGS1 3.4 16.7 1.0 OD2 A:ASP87 3.5 18.6 1.0 PA A:AGS1 3.5 14.1 1.0 O3A A:AGS1 3.7 18.3 1.0 O3B A:AGS1 3.7 14.0 1.0 O2G A:AGS1 3.9 14.6 1.0 O A:HOH580 4.2 18.8 1.0 N A:GLY88 4.3 12.6 1.0 O A:HOH566 4.4 14.2 1.0 C5' A:AGS1 4.5 13.3 1.0 O5' A:AGS1 4.5 13.7 1.0 CB A:ASP87 4.5 13.1 1.0 S1G A:AGS1 4.6 20.5 1.0 O1A A:AGS1 4.6 9.4 1.0 O2B A:AGS1 4.7 13.0 1.0 CA A:ASP87 4.8 12.5 1.0

Magnesium binding site 2 out of 14 in the GROEL14-(Atpgammas)14


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of GROEL14-(Atpgammas)14 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg550 b:8.6 occ:1.00 O B:HOH562 1.7 17.3 1.0 O2A B:AGS1 2.1 9.9 1.0 O1B B:AGS1 2.1 14.3 1.0 OD1 B:ASP87 2.2 18.4 1.0 O3G B:AGS1 2.3 21.9 1.0 O B:HOH561 2.3 16.8 1.0 PB B:AGS1 3.0 16.1 1.0 CG B:ASP87 3.3 16.7 1.0 PA B:AGS1 3.4 13.3 1.0 O3A B:AGS1 3.4 16.3 1.0 PG B:AGS1 3.4 24.8 1.0 OD2 B:ASP87 3.5 20.0 1.0 O3B B:AGS1 3.6 17.7 1.0 O B:HOH589 3.9 10.2 1.0 O2G B:AGS1 4.0 24.1 1.0 C5' B:AGS1 4.1 17.1 1.0 O5' B:AGS1 4.2 18.1 1.0 N B:GLY88 4.3 13.4 1.0 O B:HOH566 4.3 14.6 1.0 O2B B:AGS1 4.4 12.1 1.0 O1A B:AGS1 4.5 12.2 1.0 CB B:ASP87 4.7 12.5 1.0 S1G B:AGS1 4.7 19.6 1.0 CA B:ASP87 4.9 12.7 1.0

Magnesium binding site 3 out of 14 in the GROEL14-(Atpgammas)14


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of GROEL14-(Atpgammas)14 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg550 b:9.7 occ:1.00 O C:HOH562 1.6 17.2 1.0 O2A C:AGS1 2.0 9.3 1.0 O3G C:AGS1 2.2 14.4 1.0 O C:HOH561 2.2 15.2 1.0 O1B C:AGS1 2.3 20.1 1.0 OD1 C:ASP87 2.4 17.7 1.0 PA C:AGS1 3.3 10.2 1.0 PB C:AGS1 3.3 16.2 1.0 CG C:ASP87 3.4 16.0 1.0 PG C:AGS1 3.4 20.7 1.0 O3A C:AGS1 3.6 12.3 1.0 OD2 C:ASP87 3.6 18.8 1.0 O3B C:AGS1 3.7 19.4 1.0 O2G C:AGS1 4.0 18.0 1.0 O C:HOH567 4.1 17.0 1.0 C5' C:AGS1 4.2 15.8 1.0 O5' C:AGS1 4.3 13.0 1.0 O C:HOH580 4.3 19.0 1.0 O1A C:AGS1 4.3 9.4 1.0 N C:GLY88 4.5 12.6 1.0 S1G C:AGS1 4.6 15.9 1.0 O2B C:AGS1 4.7 19.4 1.0 CB C:ASP87 4.7 12.5 1.0 CA C:ASP87 4.9 12.8 1.0

Magnesium binding site 4 out of 14 in the GROEL14-(Atpgammas)14


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of GROEL14-(Atpgammas)14 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg550 b:10.3 occ:1.00 O D:HOH563 1.6 17.6 1.0 O2A D:AGS561 2.0 7.7 1.0 O1B D:AGS561 2.1 9.6 1.0 O3G D:AGS561 2.2 18.5 1.0 OD1 D:ASP87 2.2 17.1 1.0 O D:HOH562 2.3 16.8 1.0 PB D:AGS561 3.3 14.2 1.0 CG D:ASP87 3.3 16.3 1.0 PA D:AGS561 3.3 11.9 1.0 PG D:AGS561 3.4 17.5 1.0 OD2 D:ASP87 3.5 19.3 1.0 O3A D:AGS561 3.7 10.8 1.0 O3B D:AGS561 3.8 15.8 1.0 O2G D:AGS561 4.1 17.4 1.0 O D:HOH567 4.2 14.8 1.0 C5' D:AGS561 4.3 14.8 1.0 O D:HOH579 4.3 16.5 1.0 O5' D:AGS561 4.3 11.0 1.0 N D:GLY88 4.3 13.2 1.0 O1A D:AGS561 4.5 11.1 1.0 S1G D:AGS561 4.5 19.0 1.0 O2B D:AGS561 4.6 12.9 1.0 CB D:ASP87 4.7 12.7 1.0 CA D:ASP87 5.0 12.9 1.0

Magnesium binding site 5 out of 14 in the GROEL14-(Atpgammas)14


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of GROEL14-(Atpgammas)14 within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg550 b:6.1 occ:1.00 O E:HOH562 1.6 19.1 1.0 OD1 E:ASP87 2.1 18.6 1.0 O E:HOH561 2.1 15.9 1.0 O2A E:AGS1 2.2 2.0 1.0 O3G E:AGS1 2.3 11.3 1.0 O1B E:AGS1 2.3 9.4 1.0 CG E:ASP87 3.2 16.9 1.0 PB E:AGS1 3.2 15.7 1.0 OD2 E:ASP87 3.4 20.0 1.0 PG E:AGS1 3.5 19.7 1.0 PA E:AGS1 3.6 19.4 1.0 O3A E:AGS1 3.7 19.2 1.0 O3B E:AGS1 3.8 11.4 1.0 O2G E:AGS1 4.0 7.4 1.0 O E:HOH568 4.1 5.6 1.0 O E:HOH566 4.3 2.0 1.0 N E:GLY88 4.3 11.8 1.0 C5' E:AGS1 4.4 15.2 1.0 CB E:ASP87 4.5 11.2 1.0 O5' E:AGS1 4.5 13.8 1.0 O1A E:AGS1 4.6 8.7 1.0 O2B E:AGS1 4.6 14.3 1.0 S1G E:AGS1 4.7 20.6 1.0 CA E:ASP87 4.8 11.8 1.0

Magnesium binding site 6 out of 14 in the GROEL14-(Atpgammas)14


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of GROEL14-(Atpgammas)14 within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg550 b:7.2 occ:1.00 O F:HOH562 1.9 18.2 1.0 O2A F:AGS1 2.2 2.0 1.0 O F:HOH561 2.2 16.6 1.0 O3G F:AGS1 2.3 22.4 1.0 OD1 F:ASP87 2.3 17.7 1.0 O1B F:AGS1 2.3 23.8 1.0 CG F:ASP87 3.3 16.4 1.0 PB F:AGS1 3.4 13.8 1.0 PG F:AGS1 3.5 22.1 1.0 PA F:AGS1 3.5 11.0 1.0 OD2 F:ASP87 3.5 19.6 1.0 O3B F:AGS1 3.7 10.8 1.0 O3A F:AGS1 3.8 15.5 1.0 O2G F:AGS1 4.0 12.3 1.0 O F:HOH566 4.3 8.0 1.0 O F:HOH581 4.3 6.9 1.0 C5' F:AGS1 4.4 15.5 1.0 O5' F:AGS1 4.4 13.9 1.0 O1A F:AGS1 4.5 12.5 1.0 N F:GLY88 4.5 12.2 1.0 S1G F:AGS1 4.7 23.7 1.0 CB F:ASP87 4.7 12.3 1.0 O2B F:AGS1 4.7 19.6 1.0

Magnesium binding site 7 out of 14 in the GROEL14-(Atpgammas)14


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of GROEL14-(Atpgammas)14 within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg550 b:9.4 occ:1.00 O G:HOH562 1.7 17.9 1.0 O2A G:AGS1 1.9 11.8 1.0 O3G G:AGS1 2.1 16.8 1.0 O G:HOH561 2.2 16.8 1.0 OD1 G:ASP87 2.2 17.5 1.0 O1B G:AGS1 2.5 16.4 1.0 CG G:ASP87 3.2 16.4 1.0 OD2 G:ASP87 3.4 19.7 1.0 PA G:AGS1 3.4 9.0 1.0 PB G:AGS1 3.4 10.3 1.0 PG G:AGS1 3.5 14.4 1.0 O3A G:AGS1 3.5 10.7 1.0 O3B G:AGS1 3.9 13.0 1.0 O2G G:AGS1 4.1 16.5 1.0 O G:HOH575 4.1 4.6 1.0 O G:HOH566 4.2 9.2 1.0 C5' G:AGS1 4.4 6.1 1.0 O5' G:AGS1 4.4 8.7 1.0 O1A G:AGS1 4.5 14.9 1.0 N G:GLY88 4.5 12.5 1.0 S1G G:AGS1 4.6 15.0 1.0 CB G:ASP87 4.6 13.1 1.0 O2B G:AGS1 4.8 12.1 1.0 CA G:ASP87 5.0 12.8 1.0

Magnesium binding site 8 out of 14 in the GROEL14-(Atpgammas)14


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of GROEL14-(Atpgammas)14 within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg550 b:4.6 occ:1.00 O H:HOH562 2.0 16.4 1.0 O H:HOH561 2.0 15.2 1.0 O2A H:AGS1 2.0 10.8 1.0 O3G H:AGS1 2.2 8.0 1.0 OD1 H:ASP87 2.2 17.9 1.0 O1B H:AGS1 2.2 10.6 1.0 PA H:AGS1 3.2 11.4 1.0 PB H:AGS1 3.2 6.7 1.0 CG H:ASP87 3.3 16.7 1.0 O3A H:AGS1 3.3 8.6 1.0 PG H:AGS1 3.4 15.0 1.0 OD2 H:ASP87 3.5 19.2 1.0 O3B H:AGS1 3.8 7.8 1.0 O H:HOH566 4.0 10.6 1.0 O2G H:AGS1 4.0 7.0 1.0 O H:HOH577 4.0 8.3 1.0 O5' H:AGS1 4.2 14.5 1.0 C5' H:AGS1 4.3 16.3 1.0 O1A H:AGS1 4.4 11.3 1.0 N H:GLY88 4.4 12.5 1.0 S1G H:AGS1 4.5 17.6 1.0 O2B H:AGS1 4.6 11.8 1.0 CB H:ASP87 4.7 12.4 1.0 CA H:ASP87 5.0 12.4 1.0

Magnesium binding site 9 out of 14 in the GROEL14-(Atpgammas)14


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of GROEL14-(Atpgammas)14 within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg550 b:9.7 occ:1.00 O I:HOH562 1.7 17.1 1.0 O I:HOH561 2.0 16.1 1.0 O2A I:AGS1 2.1 7.5 1.0 O3G I:AGS1 2.2 20.4 1.0 OD1 I:ASP87 2.2 17.6 1.0 O1B I:AGS1 2.3 13.1 1.0 CG I:ASP87 3.3 16.4 1.0 PB I:AGS1 3.4 13.9 1.0 OD2 I:ASP87 3.5 19.0 1.0 PG I:AGS1 3.5 19.8 1.0 PA I:AGS1 3.5 10.9 1.0 O3A I:AGS1 3.7 13.2 1.0 O3B I:AGS1 3.8 15.6 1.0 O2G I:AGS1 4.2 16.6 1.0 O I:HOH566 4.2 19.3 1.0 N I:GLY88 4.5 12.4 1.0 C5' I:AGS1 4.5 13.8 1.0 O5' I:AGS1 4.5 14.0 1.0 O1A I:AGS1 4.6 5.0 1.0 CB I:ASP87 4.6 12.9 1.0 S1G I:AGS1 4.7 16.2 1.0 O2B I:AGS1 4.7 9.8 1.0 CA I:ASP87 5.0 13.2 1.0

Magnesium binding site 10 out of 14 in the GROEL14-(Atpgammas)14


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of GROEL14-(Atpgammas)14 within 5.0Å range: probe atom residue distance (Å) B Occ J:Mg550 b:8.8 occ:1.00 O J:HOH562 1.6 17.9 1.0 O2A J:AGS1 2.1 3.5 1.0 O3G J:AGS1 2.1 14.1 1.0 O J:HOH561 2.2 15.6 1.0 OD1 J:ASP87 2.3 18.6 1.0 O1B J:AGS1 2.3 12.6 1.0 CG J:ASP87 3.3 15.7 1.0 PG J:AGS1 3.3 15.4 1.0 PB J:AGS1 3.4 10.1 1.0 OD2 J:ASP87 3.5 18.5 1.0 PA J:AGS1 3.6 5.6 1.0 O3B J:AGS1 3.7 10.1 1.0 O3A J:AGS1 3.7 8.6 1.0 O2G J:AGS1 3.9 13.2 1.0 O J:HOH566 4.1 11.9 1.0 N J:GLY88 4.4 12.4 1.0 C5' J:AGS1 4.4 6.7 1.0 O5' J:AGS1 4.5 4.8 1.0 O1A J:AGS1 4.6 2.3 1.0 CB J:ASP87 4.6 12.3 1.0 S1G J:AGS1 4.6 12.8 1.0 O2B J:AGS1 4.8 10.0 1.0 CA J:ASP87 4.9 12.6 1.0

C.Chaudhry, A.L.Horwich, A.T.Brunger, P.D.Adams. Exploring the Structural Dynamics of the E.Coli Chaperonin Groel Using Translation-Libration-Screw Crystallographic Refinement of Intermediate States. J.Mol.Biol. V. 342 229 2004.
ISSN: ISSN 0022-2836
PubMed: 15313620
DOI: 10.1016/J.JMB.2004.07.015