Calcium in PDB 6th5: Crystal Structure of Mature Wildtype Primitive Phytochelatin Synthase From Nostoc Spec. - ALR0975

The structure of Crystal Structure of Mature Wildtype Primitive Phytochelatin Synthase From Nostoc Spec. - ALR0975, PDB code: 6th5 was solved by C.G.Feiler, W.Blankenfeldt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.26 / 1.99
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.356, 46.670, 68.583, 90.00, 92.26, 90.00
R / Rfree (%)	19.9 / 23.8

The binding sites of Calcium atom in the Crystal Structure of Mature Wildtype Primitive Phytochelatin Synthase From Nostoc Spec. - ALR0975 (pdb code 6th5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Crystal Structure of Mature Wildtype Primitive Phytochelatin Synthase From Nostoc Spec. - ALR0975, PDB code: 6th5:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Crystal Structure of Mature Wildtype Primitive Phytochelatin Synthase From Nostoc Spec. - ALR0975


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 Mature Wildtype Primitive Phytochelatin Synthase From Nostoc Spec. - ALR0975 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:23.4 occ:1.00 OD1 A:ASN165 2.3 28.2 1.0 O A:ASN165 2.3 22.3 1.0 O A:ASN159 2.3 27.9 1.0 OD2 A:ASP53 2.4 21.9 1.0 O A:GLN162 2.4 28.6 1.0 OD1 A:ASP53 2.4 23.6 1.0 OD1 A:ASN159 2.4 25.1 1.0 CG A:ASP53 2.7 22.9 1.0 C A:ASN159 3.3 26.5 1.0 C A:ASN165 3.3 22.9 1.0 CG A:ASN159 3.4 26.5 1.0 CG A:ASN165 3.5 29.4 1.0 H A:ASN165 3.5 30.9 1.0 HA A:LEU160 3.6 33.9 1.0 HA A:PHE166 3.6 26.3 1.0 H A:GLN162 3.6 36.5 1.0 C A:GLN162 3.6 30.7 1.0 HA A:ASN159 4.0 32.5 1.0 N A:LEU160 4.1 25.9 1.0 CA A:ASN159 4.1 27.1 1.0 N A:PHE166 4.1 23.0 1.0 CA A:ASN165 4.1 24.4 1.0 HD21 A:ASN159 4.1 30.8 1.0 HA A:ASP163 4.1 36.0 1.0 HB2 A:GLN162 4.2 44.4 1.0 N A:ASN165 4.2 25.7 1.0 ND2 A:ASN159 4.2 25.6 1.0 CA A:LEU160 4.2 28.2 1.0 CB A:ASP53 4.2 24.3 1.0 N A:GLN162 4.3 30.4 1.0 CA A:PHE166 4.3 21.9 1.0 CB A:ASN165 4.3 25.0 1.0 CB A:ASN159 4.3 26.4 1.0 HD23 A:LEU160 4.3 29.4 1.0 CA A:GLN162 4.4 32.4 1.0 HB2 A:ASN165 4.5 30.0 1.0 ND2 A:ASN165 4.5 32.3 1.0 HD21 A:ASN165 4.5 38.8 1.0 N A:ASP163 4.6 32.6 1.0 HB2 A:ASP53 4.6 29.2 1.0 HB2 A:GLU52 4.6 36.2 1.0 HB3 A:ASP53 4.6 29.2 1.0 C A:LEU160 4.7 29.4 1.0 HB3 A:ASN159 4.7 31.7 1.0 CA A:ASP163 4.7 30.0 1.0 O A:HOH435 4.7 25.5 1.0 CB A:GLN162 4.8 36.9 1.0 C A:ASP163 4.8 30.6 1.0 HG23 A:VAL167 4.8 31.9 1.0 H A:PHE166 4.8 27.6 1.0 H A:LEU160 4.8 31.1 1.0 CD1 A:PHE166 4.9 20.6 1.0 HD1 A:PHE166 4.9 24.8 1.0 HA A:ASP53 4.9 30.7 1.0 O A:HOH444 4.9 20.0 1.0 HD22 A:ASN159 4.9 30.8 1.0 O A:ASP163 4.9 27.3 1.0 H A:ASP53 5.0 31.0 1.0 H A:LYS161 5.0 38.0 1.0 N A:LYS161 5.0 31.6 1.0 HG3 A:GLN162 5.0 49.0 1.0

Calcium binding site 2 out of 5 in the Crystal Structure of Mature Wildtype Primitive Phytochelatin Synthase From Nostoc Spec. - ALR0975


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 Mature Wildtype Primitive Phytochelatin Synthase From Nostoc Spec. - ALR0975 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:32.8 occ:1.00 O A:HOH471 2.3 29.5 1.0 OE1 A:GLU52 2.4 31.4 1.0 OD2 A:ASP163 2.4 30.6 1.0 O B:HOH422 2.4 33.3 1.0 O B:HOH478 2.4 37.7 1.0 OD1 A:ASP163 2.4 29.5 1.0 O A:HOH453 2.4 25.6 1.0 CG A:ASP163 2.7 31.4 1.0 CD A:GLU52 3.6 32.5 1.0 HB3 A:GLU52 3.6 36.2 1.0 CB A:ASP163 4.2 30.3 1.0 OD1 B:ASN39 4.2 30.6 1.0 O A:HOH489 4.2 35.0 1.0 HA A:GLU52 4.3 33.8 1.0 O B:HOH522 4.3 38.2 1.0 CB A:GLU52 4.3 30.2 1.0 CG A:GLU52 4.4 31.2 1.0 HG3 A:GLU52 4.4 37.5 1.0 OE2 B:GLU42 4.5 23.6 1.0 HB3 A:ASP163 4.5 36.4 1.0 OE2 A:GLU52 4.5 38.0 1.0 OE1 B:GLU42 4.6 23.3 1.0 HB2 A:ASP163 4.6 36.4 1.0 O A:GLU52 4.6 28.3 1.0 CA A:GLU52 4.8 28.1 1.0 O A:HOH435 4.8 25.5 1.0 CD B:GLU42 5.0 26.2 1.0

Calcium binding site 3 out of 5 in the Crystal Structure of Mature Wildtype Primitive Phytochelatin Synthase From Nostoc Spec. - ALR0975


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 Mature Wildtype Primitive Phytochelatin Synthase From Nostoc Spec. - ALR0975 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:15.8 occ:1.00 O B:ASN165 2.3 16.8 1.0 O B:GLN162 2.3 20.5 1.0 OD1 B:ASP53 2.3 18.7 1.0 O B:ASN159 2.4 21.9 1.0 OD1 B:ASN159 2.4 18.5 1.0 OD1 B:ASN165 2.4 19.8 1.0 OD2 B:ASP53 2.4 17.9 1.0 CG B:ASP53 2.7 18.4 1.0 C B:ASN165 3.3 17.7 1.0 C B:ASN159 3.3 20.9 1.0 HA B:LEU160 3.4 25.5 1.0 CG B:ASN159 3.4 19.4 1.0 H B:GLN162 3.5 27.3 1.0 H B:ASN165 3.5 23.7 1.0 HA B:PHE166 3.5 20.8 1.0 C B:GLN162 3.5 23.4 1.0 CG B:ASN165 3.6 20.1 1.0 HB2 B:GLN162 3.8 27.0 1.0 N B:LEU160 4.0 20.6 1.0 HD21 B:ASN159 4.1 23.3 1.0 N B:PHE166 4.1 16.7 1.0 CA B:LEU160 4.1 21.2 1.0 HA B:ASN159 4.1 25.2 1.0 N B:GLN162 4.1 22.7 1.0 CA B:ASN165 4.1 19.1 1.0 CA B:ASN159 4.2 21.0 1.0 N B:ASN165 4.2 19.7 1.0 ND2 B:ASN159 4.2 19.4 1.0 CB B:ASP53 4.2 19.3 1.0 CA B:GLN162 4.2 23.0 1.0 HD21 B:LEU160 4.2 22.7 1.0 CA B:PHE166 4.2 17.3 1.0 HA B:ASP163 4.3 24.6 1.0 CB B:ASN159 4.3 20.7 1.0 CB B:ASN165 4.4 19.2 1.0 CB B:GLN162 4.4 22.5 1.0 C B:LEU160 4.5 21.9 1.0 ND2 B:ASN165 4.6 22.1 1.0 HD21 B:ASN165 4.6 26.5 1.0 N B:ASP163 4.6 21.5 1.0 HB2 B:ASP53 4.6 23.2 1.0 HB2 B:ASN165 4.6 23.1 1.0 HB3 B:ASP53 4.6 23.2 1.0 HB3 B:GLN162 4.7 27.0 1.0 O B:HOH450 4.7 20.2 1.0 HB3 B:ASN159 4.7 24.9 1.0 HD1 B:PHE166 4.8 20.2 1.0 O B:HOH429 4.8 17.4 1.0 CA B:ASP163 4.8 20.5 1.0 H B:PHE166 4.8 20.1 1.0 H B:LEU160 4.8 24.8 1.0 CD1 B:PHE166 4.8 16.8 1.0 H B:ASP53 4.8 23.9 1.0 HA B:ASP53 4.8 22.1 1.0 HG23 B:VAL167 4.9 23.7 1.0 HB2 B:GLU52 4.9 29.4 1.0 C B:ASP163 4.9 20.9 1.0 HD22 B:ASN159 4.9 23.3 1.0 O B:LEU160 5.0 21.4 1.0 N B:LYS161 5.0 22.5 1.0 CA B:ASP53 5.0 18.4 1.0

Calcium binding site 4 out of 5 in the Crystal Structure of Mature Wildtype Primitive Phytochelatin Synthase From Nostoc Spec. - ALR0975


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 Mature Wildtype Primitive Phytochelatin Synthase From Nostoc Spec. - ALR0975 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:33.1 occ:1.00 O A:HOH473 2.3 30.3 1.0 OD2 B:ASP163 2.4 27.3 1.0 O A:HOH447 2.4 25.7 1.0 OE2 B:GLU52 2.5 39.9 1.0 OE1 B:GLU52 2.5 32.4 1.0 OD1 B:ASP163 2.5 25.6 1.0 CD B:GLU52 2.6 30.1 1.0 CG B:ASP163 2.8 26.3 1.0 HB3 B:GLU52 3.5 29.4 1.0 CG B:GLU52 3.9 27.0 1.0 CB B:GLU52 4.1 24.5 1.0 HA B:GLU52 4.2 26.1 1.0 HD22 A:ASN39 4.3 47.7 1.0 CB B:ASP163 4.3 23.8 1.0 HG3 B:GLU52 4.3 32.5 1.0 OE2 A:GLU42 4.4 26.0 1.0 OE1 A:GLU42 4.5 24.5 1.0 HG2 B:GLU52 4.6 32.5 1.0 O B:GLU52 4.6 21.7 1.0 O A:HOH494 4.6 29.1 1.0 CA B:GLU52 4.6 21.7 1.0 HB3 B:ASP163 4.7 28.6 1.0 HB2 B:ASP163 4.7 28.6 1.0 O A:HOH504 4.7 29.6 1.0 ND2 A:ASN39 4.8 39.7 1.0 OD1 A:ASN39 4.8 42.2 1.0 O B:HOH450 4.9 20.2 1.0 CD A:GLU42 4.9 26.0 1.0 HB2 B:GLU52 5.0 29.4 1.0

Calcium binding site 5 out of 5 in the Crystal Structure of Mature Wildtype Primitive Phytochelatin Synthase From Nostoc Spec. - ALR0975


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 Mature Wildtype Primitive Phytochelatin Synthase From Nostoc Spec. - ALR0975 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca303 b:33.6 occ:1.00 O B:HOH514 2.4 27.1 1.0 O B:HOH403 2.4 25.4 1.0 O B:HOH497 2.5 22.9 1.0 O B:HOH496 2.5 28.3 1.0 HH21 B:ARG232 3.8 24.7 1.0 HG23 B:VAL227 4.0 26.4 1.0 HG21 B:VAL227 4.0 26.4 1.0 OD1 B:ASP225 4.1 22.1 1.0 H B:GLY182 4.1 25.3 1.0 O B:HOH468 4.3 19.0 1.0 HA3 B:GLY182 4.3 25.0 1.0 CG2 B:VAL227 4.5 22.0 1.0 NH2 B:ARG232 4.5 20.6 1.0 O B:HOH508 4.5 19.1 1.0 OD2 B:ASP225 4.6 19.7 1.0 CG B:ASP225 4.7 22.4 1.0 HH22 B:ARG232 4.7 24.7 1.0 O B:GLN121 4.7 17.2 1.0 N B:GLY182 4.8 21.0 1.0 HB B:VAL227 4.9 25.5 1.0 CA B:GLY182 5.0 20.8 1.0

C.G.Feiler, W.Blankenfeldt. Crystal Structure of Mature Wildtype Primitive Phytochelatin Synthase From Nostoc Spec. - ALR0975 To Be Published.