Calcium in PDB 6hk9: Crystal Structure of TEX12 F102A F109E V116A

The structure of Crystal Structure of TEX12 F102A F109E V116A, PDB code: 6hk9 was solved by J.M.Dunce, L.J.Salmon, O.R.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.97 / 1.45
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	43.233, 219.712, 37.501, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 20.5

The binding sites of Calcium atom in the Crystal Structure of TEX12 F102A F109E V116A (pdb code 6hk9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the Crystal Structure of TEX12 F102A F109E V116A, PDB code: 6hk9:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in the Crystal Structure of TEX12 F102A F109E V116A


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 TEX12 F102A F109E V116A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:54.2 occ:1.00 O A:HOH303 2.2 54.9 1.0 O A:HOH307 2.3 40.8 0.9 O A:GLU51 2.5 42.8 1.0 C A:GLU51 3.7 46.4 1.0 HA A:ALA52 3.8 52.6 1.0 HG A:LEU53 4.0 42.0 1.0 HD23 A:LEU53 4.2 46.5 1.0 N A:ASP50 4.2 64.3 1.0 H A:GLU51 4.2 66.3 1.0 N A:GLU51 4.3 55.3 1.0 O A:HOH314 4.3 52.8 1.0 H A:LEU53 4.3 47.5 1.0 OD2 A:ASP56 4.4 50.5 1.0 CA A:ALA52 4.4 43.9 1.0 N A:LEU53 4.4 39.6 1.0 C A:ALA52 4.4 43.9 1.0 N A:ALA52 4.5 40.9 1.0 HA A:ASP50 4.6 76.2 1.0 C A:ASP50 4.6 61.6 1.0 CA A:GLU51 4.7 47.6 1.0 HA A:LEU53 4.7 42.8 1.0 HD21 A:LEU53 4.7 46.5 1.0 CA A:ASP50 4.8 63.5 1.0 CD2 A:LEU53 4.8 38.8 1.0 CG A:LEU53 4.8 35.0 1.0 O A:ALA52 4.9 40.8 1.0

Calcium binding site 2 out of 7 in the Crystal Structure of TEX12 F102A F109E V116A


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 TEX12 F102A F109E V116A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:52.9 occ:1.00 O A:HOH365 2.2 48.5 1.0 O A:HOH356 2.2 55.1 1.0 O A:HOH367 2.3 64.2 1.0 OD1 A:ASP56 2.4 56.6 1.0 OE1 A:GLU51 2.4 59.8 1.0 OD2 A:ASP59 2.4 44.9 1.0 HA A:ASP56 3.5 49.9 1.0 HB2 A:GLU51 3.5 64.1 1.0 CD A:GLU51 3.5 57.1 1.0 HZ2 A:LYS55 3.6 61.4 1.0 CG A:ASP56 3.6 50.9 1.0 CG A:ASP59 3.6 48.1 1.0 HG3 A:LYS55 3.7 55.5 1.0 HG3 A:GLU51 3.8 63.2 1.0 HB2 A:ASP59 3.9 52.8 1.0 CG A:GLU51 4.0 52.7 1.0 HZ3 A:LYS55 4.1 61.4 1.0 CB A:GLU51 4.1 53.4 1.0 NZ A:LYS55 4.2 51.2 1.0 CB A:ASP59 4.2 44.0 1.0 CA A:ASP56 4.3 41.6 1.0 O A:HOH358 4.3 43.3 0.8 HB3 A:ASP59 4.3 52.8 1.0 OD2 A:ASP56 4.4 50.5 1.0 HB3 A:GLU51 4.4 64.1 1.0 CB A:ASP56 4.5 44.8 1.0 O A:HOH314 4.5 52.8 1.0 OD1 A:ASP59 4.5 53.0 1.0 OE2 A:GLU51 4.6 60.1 1.0 HZ1 A:LYS55 4.6 61.4 1.0 CG A:LYS55 4.6 46.2 1.0 N A:ASP56 4.7 42.0 1.0 HG2 A:LYS55 4.8 55.5 1.0 HB3 A:ASP56 4.8 53.7 1.0 O A:LYS55 4.9 44.3 1.0 HG2 A:GLU51 5.0 63.2 1.0

Calcium binding site 3 out of 7 in the Crystal Structure of TEX12 F102A F109E V116A


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 TEX12 F102A F109E V116A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:19.7 occ:0.50 OE1 A:GLU100 2.3 22.6 1.0 OD1 A:ASN101 2.4 19.9 1.0 OD1 A:ASN97 2.4 21.5 1.0 CG A:ASN101 3.4 21.6 1.0 CD A:GLU100 3.5 23.6 1.0 CG A:ASN97 3.5 21.8 1.0 HD21 A:ASN101 3.6 28.6 1.0 HD21 A:ASN97 3.7 30.9 1.0 HB3 A:GLU100 3.9 24.4 1.0 ND2 A:ASN101 3.9 23.8 1.0 ND2 A:ASN97 4.0 25.7 1.0 HD12 A:ILE104 4.1 38.6 1.0 OE2 A:GLU100 4.2 26.6 1.0 HA A:ASN97 4.3 23.8 1.0 O A:ASN97 4.4 21.0 1.0 HA A:ASN101 4.4 25.0 1.0 CG A:GLU100 4.5 24.2 1.0 HD11 A:ILE104 4.6 38.6 1.0 H A:ASN101 4.6 24.5 1.0 HG2 A:GLU100 4.6 29.1 1.0 CB A:GLU100 4.7 20.3 1.0 N A:ASN101 4.7 20.4 1.0 CB A:ASN101 4.7 20.5 1.0 CD1 A:ILE104 4.7 32.2 1.0 CB A:ASN97 4.8 20.3 1.0 HD22 A:ASN101 4.8 28.6 1.0 CA A:ASN101 4.8 20.9 1.0 HD22 A:ASN97 4.9 30.9 1.0 CA A:ASN97 4.9 19.8 1.0 HD13 A:ILE104 5.0 38.6 1.0

Calcium binding site 4 out of 7 in the Crystal Structure of TEX12 F102A F109E V116A


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 TEX12 F102A F109E V116A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:39.6 occ:0.50 OE1 B:GLU100 2.0 45.7 1.0 OD1 B:ASN97 2.2 38.9 1.0 OD1 B:ASN101 2.3 35.1 1.0 CD B:GLU100 3.2 43.1 1.0 CG B:ASN97 3.3 41.4 1.0 CG B:ASN101 3.4 36.9 1.0 HD21 B:ASN101 3.5 43.3 1.0 HD21 B:ASN97 3.6 51.8 1.0 HB3 B:GLU100 3.7 49.1 1.0 ND2 B:ASN101 3.9 36.1 1.0 ND2 B:ASN97 3.9 43.1 1.0 OE2 B:GLU100 3.9 48.1 1.0 O B:ASN97 4.2 37.9 1.0 HA B:ASN97 4.2 46.8 1.0 CG B:GLU100 4.3 42.0 1.0 HD12 B:ILE104 4.5 57.0 1.0 H B:ASN101 4.5 45.5 1.0 CB B:GLU100 4.5 40.9 1.0 HA B:ASN101 4.5 45.5 1.0 HG2 B:GLU100 4.6 50.4 1.0 N B:ASN101 4.6 37.9 1.0 CB B:ASN97 4.6 41.2 1.0 HD11 B:ILE104 4.7 57.0 1.0 CB B:ASN101 4.7 39.8 1.0 HD22 B:ASN101 4.7 43.3 1.0 HD22 B:ASN97 4.7 51.8 1.0 CA B:ASN97 4.8 39.0 1.0 CA B:ASN101 4.8 37.9 1.0 C B:ASN97 5.0 37.6 1.0 HB2 B:ASN97 5.0 49.4 1.0

Calcium binding site 5 out of 7 in the Crystal Structure of TEX12 F102A F109E V116A


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 TEX12 F102A F109E V116A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:30.0 occ:1.00 O B:HOH301 1.9 36.6 1.0 OD1 B:ASP87 2.4 37.4 1.0 O B:HOH313 2.4 32.9 1.0 CG B:ASP87 3.5 40.6 1.0 HA B:ASP87 3.8 41.4 1.0 CA B:CA203 4.0 30.2 1.0 HB2 B:ASP87 4.2 43.6 1.0 CB B:ASP87 4.3 36.3 1.0 OD2 B:ASP87 4.4 38.5 1.0 HG3 B:GLU91 4.5 68.0 1.0 CA B:ASP87 4.5 34.5 1.0 O B:ASP87 4.6 34.8 1.0 OE2 B:GLU91 4.7 51.5 1.0 OD2 B:ASP90 4.7 47.9 1.0 HG2 B:GLU91 4.8 68.0 1.0 C B:ASP87 5.0 35.1 1.0

Calcium binding site 6 out of 7 in the Crystal Structure of TEX12 F102A F109E V116A


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 TEX12 F102A F109E V116A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca203 b:30.2 occ:1.00 O B:HOH301 2.0 36.6 1.0 OE2 B:GLU91 2.3 51.5 1.0 O B:HOH346 2.5 35.6 1.0 OD2 B:ASP87 2.5 38.5 1.0 OD1 B:ASP87 2.8 37.4 1.0 CG B:ASP87 3.0 40.6 1.0 CD B:GLU91 3.5 60.6 1.0 CA B:CA202 4.0 30.0 1.0 O B:HOH303 4.0 37.7 1.0 OE1 B:GLU91 4.3 62.2 1.0 HG3 B:GLU91 4.3 68.0 1.0 OE2 B:GLU88 4.4 52.2 1.0 CG B:GLU91 4.4 56.7 1.0 O B:HOH367 4.4 39.5 1.0 O B:HOH313 4.4 32.9 1.0 HG2 B:GLU91 4.5 68.0 1.0 CB B:ASP87 4.5 36.3 1.0 O B:HOH318 4.8 45.2 1.0 HB3 B:ASP87 4.8 43.6 1.0 HB2 B:ASP87 4.9 43.6 1.0

Calcium binding site 7 out of 7 in the Crystal Structure of TEX12 F102A F109E V116A


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 TEX12 F102A F109E V116A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca204 b:31.7 occ:0.83 O B:HOH348 2.1 38.8 1.0 OD2 B:ASP59 2.2 24.0 1.0 OD1 B:ASP56 2.5 34.4 1.0 O B:HOH329 2.6 37.1 0.5 CG B:ASP59 3.3 23.6 1.0 HA B:ASP56 3.3 25.7 1.0 CG B:ASP56 3.7 33.5 1.0 O B:HOH340 3.8 36.8 1.0 HB2 B:ASP59 3.8 28.1 1.0 CB B:ASP59 4.0 23.4 1.0 HB3 B:ASP59 4.1 28.1 1.0 OD1 B:ASP59 4.1 27.9 1.0 CA B:ASP56 4.2 21.4 1.0 CB B:ASP56 4.5 23.9 1.0 OD2 B:ASP56 4.5 36.9 1.0 O B:HOH334 4.6 26.1 0.7 HB3 B:ASP56 4.8 28.7 1.0 N B:ASP56 4.8 19.2 1.0 O B:LYS55 4.9 22.2 0.7

L.J.Salmon, J.M.Dunce, O.R.Davies. Synaptonemal Complex Central Element Extension Through Hierarchical Assembly of SYCE2-TEX12 Into Alpha-Fibres To Be Published.