Calcium in PDB 1ht9: Domain Swapping Ef-Hands

The structure of Domain Swapping Ef-Hands, PDB code: 1ht9 was solved by M.Hakansson, A.L.Svensson, J.Fast, S.Linse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.76
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	32.605, 48.241, 41.530, 90.00, 96.98, 90.00
R / Rfree (%)	16.2 / 19.2

The binding sites of Calcium atom in the Domain Swapping Ef-Hands (pdb code 1ht9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Domain Swapping Ef-Hands, PDB code: 1ht9:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Domain Swapping Ef-Hands


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Domain Swapping Ef-Hands within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:11.3 occ:1.00 O A:ALA14 2.3 11.9 1.0 O A:ASP19 2.4 10.9 1.0 O B:HOH1005 2.4 11.5 1.0 O A:ASN22 2.4 13.0 1.0 O A:GLU17 2.5 12.4 1.0 OE2 A:GLU27 2.5 12.7 1.0 OE1 A:GLU27 2.5 14.9 1.0 CD A:GLU27 2.8 14.2 1.0 C A:ALA14 3.4 11.4 1.0 C A:ASP19 3.5 15.8 1.0 C A:GLU17 3.6 16.8 1.0 C A:ASN22 3.6 12.0 1.0 CA A:ALA14 4.0 10.1 1.0 N A:GLU17 4.2 15.3 1.0 N A:ASP19 4.2 11.6 1.0 CG A:GLU27 4.3 12.7 1.0 C A:GLY18 4.3 14.8 1.0 N A:PRO20 4.4 15.1 1.0 CA A:PRO20 4.4 17.3 1.0 CA A:ASP19 4.4 14.5 1.0 N A:SER24 4.4 11.6 1.0 CA A:LEU23 4.4 9.1 1.0 CA A:GLU17 4.4 13.2 1.0 N A:ASN22 4.4 11.4 1.0 N A:LEU23 4.5 12.8 1.0 N A:ALA15 4.5 13.5 1.0 OE1 B:GLU60 4.6 29.6 1.0 CB A:ALA14 4.6 10.6 1.0 N A:GLY18 4.6 12.8 1.0 CA A:ASN22 4.7 14.0 1.0 C A:PRO20 4.7 17.2 1.0 CA A:GLY18 4.8 15.1 1.0 O A:GLY18 4.8 21.6 1.0 O A:TYR13 4.8 11.5 1.0 C A:LEU23 4.8 10.8 1.0 CB A:ASP19 4.8 18.1 1.0 N A:LYS16 4.9 13.7 1.0 CB A:GLU17 4.9 19.2 1.0 CA A:ALA15 4.9 13.2 1.0 C A:ALA15 4.9 13.6 1.0

Calcium binding site 2 out of 4 in the Domain Swapping Ef-Hands


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Domain Swapping Ef-Hands within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1003 b:16.1 occ:1.00 O A:GLU60 2.2 20.6 1.0 OD1 A:ASN56 2.3 16.2 1.0 OD1 A:ASP54 2.3 18.2 1.0 O A:HOH1011 2.4 21.5 1.0 OD1 A:ASP58 2.5 17.5 1.0 OE1 A:GLU65 2.6 16.8 1.0 OE2 A:GLU65 2.6 17.9 1.0 CD A:GLU65 2.9 18.3 1.0 CG A:ASP58 3.4 24.9 1.0 CG A:ASN56 3.4 27.0 1.0 C A:GLU60 3.4 18.9 1.0 CG A:ASP54 3.5 19.7 1.0 OD2 A:ASP58 3.7 19.6 1.0 ND2 A:ASN56 4.0 32.3 1.0 CA A:ASP54 4.1 14.1 1.0 N A:GLU60 4.3 15.1 1.0 CB A:ASP54 4.3 17.0 1.0 N A:ASP58 4.3 16.8 1.0 OD2 A:ASP54 4.3 15.4 1.0 CA A:VAL61 4.3 16.3 1.0 N A:ASN56 4.4 19.2 1.0 CA A:GLU60 4.4 17.5 1.0 N A:VAL61 4.4 17.9 1.0 CG A:GLU65 4.4 11.6 1.0 C A:ASP54 4.5 16.6 1.0 N A:LYS55 4.6 17.0 1.0 N A:SER62 4.6 15.1 1.0 CB A:ASP58 4.6 22.9 1.0 CB A:ASN56 4.6 18.0 1.0 N A:GLY57 4.6 18.4 1.0 CB A:GLU60 4.7 15.8 1.0 O A:HOH1021 4.8 30.3 1.0 CA A:ASN56 4.8 18.2 1.0 CA A:ASP58 4.9 18.0 1.0 N A:GLY59 4.9 14.6 1.0 C A:ASN56 4.9 20.2 1.0 C A:VAL61 5.0 15.9 1.0

Calcium binding site 3 out of 4 in the Domain Swapping Ef-Hands


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Domain Swapping Ef-Hands within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1002 b:14.4 occ:1.00 OD1 B:ASP54 2.3 17.4 1.0 O B:GLU60 2.3 15.0 1.0 OD1 B:ASN56 2.4 19.0 1.0 O B:HOH1011 2.4 23.4 1.0 OE1 B:GLU65 2.4 14.5 1.0 OD2 B:ASP58 2.5 16.2 1.0 OE2 B:GLU65 2.7 16.6 1.0 CD B:GLU65 2.9 22.6 1.0 CG B:ASP58 3.4 24.5 1.0 CG B:ASP54 3.4 17.4 1.0 CG B:ASN56 3.5 30.6 1.0 C B:GLU60 3.5 14.8 1.0 OD1 B:ASP58 3.8 24.9 1.0 ND2 B:ASN56 4.1 32.6 1.0 CA B:ASP54 4.1 13.9 1.0 N B:GLU60 4.2 13.2 1.0 CB B:ASP54 4.3 15.2 1.0 OD2 B:ASP54 4.3 18.2 1.0 N B:ASP58 4.3 19.8 1.0 CA B:GLU60 4.4 13.2 1.0 CG B:GLU65 4.4 16.6 1.0 N B:ASN56 4.5 21.4 1.0 CA B:VAL61 4.5 10.7 1.0 N B:VAL61 4.5 10.8 1.0 C B:ASP54 4.5 18.7 1.0 N B:GLY57 4.6 18.3 1.0 CB B:ASP58 4.6 21.6 1.0 O B:HOH1021 4.6 30.9 1.0 N B:SER62 4.6 13.2 1.0 N B:LYS55 4.7 17.8 1.0 CB B:GLU60 4.7 17.1 1.0 CB B:ASN56 4.7 23.7 1.0 CA B:ASP58 4.9 16.7 1.0 CA B:ASN56 4.9 21.1 1.0 N B:GLY59 4.9 16.5 1.0 O B:ASP54 5.0 18.8 1.0 C B:ASN56 5.0 24.2 1.0

Calcium binding site 4 out of 4 in the Domain Swapping Ef-Hands


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Domain Swapping Ef-Hands within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1004 b:13.9 occ:1.00 O B:GLU17 2.3 17.1 1.0 O B:ALA14 2.3 12.9 1.0 O B:ASN22 2.3 16.2 1.0 O A:HOH1004 2.4 15.3 1.0 OE2 B:GLU27 2.4 15.3 1.0 O B:ASP19 2.4 17.5 1.0 OE1 B:GLU27 2.5 20.1 1.0 CD B:GLU27 2.8 20.3 1.0 C B:ALA14 3.4 17.9 1.0 C B:GLU17 3.5 21.0 1.0 C B:ASP19 3.5 19.4 1.0 C B:ASN22 3.6 15.2 1.0 CA B:ALA14 3.9 13.8 1.0 N B:ASP19 4.1 17.9 1.0 N B:GLU17 4.2 21.3 1.0 C B:GLY18 4.3 21.3 1.0 CG B:GLU27 4.3 16.0 1.0 CA B:PRO20 4.4 21.2 1.0 CA B:GLU17 4.4 20.1 1.0 N B:PRO20 4.4 22.2 1.0 N B:SER24 4.4 12.8 1.0 CA B:ASP19 4.4 17.2 1.0 CA B:LEU23 4.4 11.7 1.0 N B:ASN22 4.4 17.2 1.0 N B:LEU23 4.5 10.8 1.0 N B:GLY18 4.5 21.4 1.0 N B:ALA15 4.5 15.9 1.0 CB B:ALA14 4.5 14.2 1.0 CA B:ASN22 4.5 15.5 1.0 CA B:GLY18 4.6 18.1 1.0 OE2 A:GLU60 4.6 22.6 1.0 CG B:GLU17 4.6 29.9 1.0 C B:PRO20 4.7 21.1 1.0 N B:LYS16 4.7 17.9 1.0 O B:TYR13 4.8 15.8 1.0 O B:GLY18 4.8 22.1 1.0 C B:LEU23 4.9 12.2 1.0 CA B:ALA15 4.9 17.0 1.0 CB B:ASP19 4.9 19.2 1.0 O A:HOH1018 4.9 31.6 1.0 C B:ALA15 4.9 19.6 1.0

M.Hakansson, A.Svensson, J.Fast, S.Linse. An Extended Hydrophobic Core Induces Ef-Hand Swapping. Protein Sci. V. 10 927 2001.
ISSN: ISSN 0961-8368
PubMed: 11316872
DOI: 10.1110/PS.47501