Calcium in PDB 4ki8: Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State

The structure of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State, PDB code: 4ki8 was solved by X.Fei, D.Yang, N.Laronde-Leblanc, G.H.Lorimer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.17 / 2.72
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	235.222, 141.655, 156.693, 90.00, 113.84, 90.00
R / Rfree (%)	16.6 / 20.3

The structure of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State also contains other interesting chemical elements:

Magnesium	(Mg)	7 atoms
Potassium	(K)	9 atoms

Pages:

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

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State (pdb code 4ki8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 11 binding sites of Calcium where determined in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State, PDB code: 4ki8:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 11 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca610 b:0.6 occ:1.00 O B:HOH756 2.4 67.6 1.0 O B:HOH750 3.0 74.2 1.0 O A:HOH717 3.5 26.8 0.7 O A:HOH738 3.5 87.3 1.0 O A:LYS42 3.5 89.4 1.0 O B:HOH703 3.5 53.8 1.0 O A:SER43 3.6 0.2 1.0 ND2 B:ASN68 3.9 26.8 1.0 OD1 A:ASP41 3.9 53.7 1.0 O A:HOH783 4.0 70.5 1.0 OD2 A:ASP41 4.1 38.8 1.0 C A:SER43 4.1 0.8 1.0 CG A:ASP41 4.4 43.3 1.0 CA A:SER43 4.4 98.4 1.0 C A:LYS42 4.6 85.8 1.0 N A:PHE44 4.9 0.9 1.0 N A:SER43 5.0 95.0 1.0

Calcium binding site 2 out of 11 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca611 b:0.2 occ:1.00 NH2 A:ARG445 3.4 80.9 1.0 CZ A:ARG445 4.4 76.5 1.0 O A:HOH786 4.4 62.8 1.0 OE1 A:GLU102 4.5 44.0 1.0 CG1 A:VAL438 4.7 34.8 1.0 NH1 A:ARG445 4.7 73.9 1.0 O A:GLU102 5.0 40.5 1.0

Calcium binding site 3 out of 11 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca609 b:0.5 occ:1.00 O B:HOH790 2.5 88.3 1.0 O C:HOH771 2.5 66.5 0.7 OE2 B:GLU460 2.5 88.1 1.0 O B:HOH778 3.0 73.9 1.0 CD B:GLU460 3.2 77.2 1.0 OE1 B:GLU460 3.2 84.8 1.0 ND2 C:ASN112 3.9 46.5 1.0 OD2 C:ASP115 4.2 57.4 1.0 O B:GLY459 4.2 47.4 1.0 OD2 C:ASP435 4.6 64.7 1.0 CG B:GLU460 4.7 56.1 1.0 CB C:ASN112 4.8 46.1 1.0 CG C:ASN112 4.8 44.2 1.0 O C:HOH777 4.9 65.4 1.0 C B:GLY459 4.9 45.5 1.0 OE2 B:GLU483 5.0 72.2 1.0

Calcium binding site 4 out of 11 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca607 b:0.7 occ:1.00 O C:HOH742 2.2 60.0 1.0 O C:HOH784 2.5 89.9 1.0 O C:HOH774 2.5 0.3 1.0 O C:HOH756 2.6 55.9 0.9 O D:HOH713 3.1 64.2 1.0 O D:HOH710 3.8 41.9 0.8 ND2 D:ASN68 3.8 29.2 1.0 O D:HOH712 4.0 58.0 1.0 NZ D:LYS65 4.1 66.7 1.0 OE2 D:GLU61 4.3 59.2 1.0 OD2 C:ASP41 4.5 56.6 1.0 O C:SER43 4.6 0.9 1.0 CG D:ASN68 4.8 32.6 1.0 O D:HOH714 4.9 51.0 0.8 O C:LYS42 4.9 80.9 1.0

Calcium binding site 5 out of 11 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca605 b:0.1 occ:1.00 O D:HOH778 2.5 0.5 1.0 O E:HOH735 2.5 78.4 1.0 O E:HOH736 3.4 71.4 1.0 NZ E:LYS65 3.5 61.9 1.0 O D:SER43 3.8 0.1 1.0 CA D:SER43 4.4 0.8 1.0 O D:LYS42 4.5 88.7 1.0 C D:SER43 4.5 0.7 1.0 OD2 D:ASP41 4.6 53.8 1.0 O E:HOH702 4.7 53.7 1.0 CE E:LYS65 4.7 52.2 1.0 CD E:LYS65 5.0 46.6 1.0

Calcium binding site 6 out of 11 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca606 b:0.9 occ:1.00 O E:HOH761 2.5 80.9 1.0 O E:HOH727 2.5 93.3 1.0 O E:SER43 3.6 98.8 1.0 C E:SER43 4.3 0.8 1.0 O E:LYS42 4.5 0.1 1.0 O E:HOH724 4.6 36.2 0.7 OE2 F:GLU61 4.6 65.2 1.0 CA E:SER43 4.7 0.6 1.0 NZ F:LYS65 4.9 78.3 1.0

Calcium binding site 7 out of 11 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca607 b:0.4 occ:1.00 O E:HOH756 2.5 97.0 1.0 OE2 E:GLU130 3.9 98.6 1.0 OE1 E:GLU130 3.9 85.5 1.0 CD E:GLU130 4.1 87.5 1.0 CB E:ALA133 4.4 79.5 1.0 O E:GLU129 4.8 69.7 1.0

Calcium binding site 8 out of 11 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca606 b:0.9 occ:1.00 O F:SER43 3.7 0.7 1.0 O F:LYS42 4.0 88.4 1.0 CD G:LYS65 4.2 65.7 1.0 OD2 F:ASP41 4.4 48.4 1.0 C F:SER43 4.4 0.1 1.0 CE G:LYS65 4.4 70.3 1.0 O G:HOH783 4.5 60.8 1.0 CA F:SER43 4.5 0.5 1.0 OD1 F:ASP41 4.8 65.1 1.0 ND2 G:ASN68 4.9 30.1 1.0 CG F:ASP41 4.9 49.0 1.0 C F:LYS42 5.0 84.8 1.0

Calcium binding site 9 out of 11 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca606 b:88.3 occ:1.00 O A:HOH714 2.5 61.1 1.0 O G:SER43 3.4 0.3 1.0 C G:SER43 4.4 0.9 1.0 CE A:LYS65 4.4 56.5 1.0 O G:LYS42 4.5 86.5 1.0 OD2 G:ASP41 4.6 42.2 1.0 O A:HOH701 4.6 56.0 1.0 O A:HOH708 4.7 55.5 1.0 CD A:LYS65 4.9 47.3 1.0 CA G:SER43 4.9 0.2 1.0

Calcium binding site 10 out of 11 in the Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca607 b:0.9 occ:1.00 NH2 G:ARG445 3.1 0.1 1.0 NH1 G:ARG445 3.5 0.9 1.0 CZ G:ARG445 3.7 0.1 1.0 OE1 G:GLU102 4.3 64.6 1.0 CG1 G:VAL438 4.6 42.7 1.0 CG2 G:VAL442 4.9 31.4 1.0 O G:GLU102 4.9 47.3 1.0

X.Fei, D.Yang, N.Laronde-Leblanc, G.H.Lorimer. Crystal Structure of A Groel-Adp Complex in the Relaxed Allosteric State at 2.7 A Resolution. Proc.Natl.Acad.Sci.Usa V. 110 E2958 2013.
ISSN: ISSN 0027-8424
PubMed: 23861496
DOI: 10.1073/PNAS.1311996110