Calcium in PDB 6tho: Acylintermediate of Glutathione and the Mature Primitive Phytochelatin Synthase ALR0975 From Nostoc Pcc 7120 at Atomic Resolution.

The structure of Acylintermediate of Glutathione and the Mature Primitive Phytochelatin Synthase ALR0975 From Nostoc Pcc 7120 at Atomic Resolution., PDB code: 6tho 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)	29.21 / 1.09
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.283, 57.956, 139.470, 90.00, 90.00, 90.00
R / Rfree (%)	11.8 / 14.8

The binding sites of Calcium atom in the Acylintermediate of Glutathione and the Mature Primitive Phytochelatin Synthase ALR0975 From Nostoc Pcc 7120 at Atomic Resolution. (pdb code 6tho). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Acylintermediate of Glutathione and the Mature Primitive Phytochelatin Synthase ALR0975 From Nostoc Pcc 7120 at Atomic Resolution., PDB code: 6tho:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Acylintermediate of Glutathione and the Mature Primitive Phytochelatin Synthase ALR0975 From Nostoc Pcc 7120 at Atomic Resolution.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Acylintermediate of Glutathione and the Mature Primitive Phytochelatin Synthase ALR0975 From Nostoc Pcc 7120 at Atomic Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1002 b:8.2 occ:1.00 O A:ASN136 2.3 8.7 1.0 O A:ASN142 2.3 7.6 1.0 OD1 A:ASN142 2.3 9.8 1.0 O A:GLN139 2.3 12.1 1.0 OD1 A:ASP30 2.4 9.1 1.0 OD1 A:ASN136 2.5 8.1 1.0 OD2 A:ASP30 2.5 7.8 1.0 CG A:ASP30 2.8 7.6 1.0 C A:ASN142 3.2 8.0 1.0 C A:ASN136 3.3 8.5 1.0 CG A:ASN136 3.4 8.4 1.0 H A:ASN142 3.5 12.4 1.0 H A:GLN139 3.5 16.9 1.0 C A:GLN139 3.5 13.6 1.0 CG A:ASN142 3.5 10.4 1.0 HA A:LEU137 3.5 11.8 1.0 HA A:PHE143 3.6 7.5 1.0 HB2 A:GLN139 3.6 18.1 1.0 HA A:ASN136 4.0 11.1 1.0 N A:PHE143 4.0 6.8 1.0 CA A:ASN142 4.0 9.3 1.0 CA A:ASN136 4.1 9.3 1.0 N A:ASN142 4.1 10.4 1.0 N A:LEU137 4.1 9.2 1.0 N A:GLN139 4.1 14.1 1.0 HD21 A:ASN136 4.1 11.4 1.0 CA A:LEU137 4.2 9.8 1.0 CA A:GLN139 4.2 14.3 1.0 ND2 A:ASN136 4.2 9.5 1.0 CA A:PHE143 4.3 6.3 1.0 CB A:ASN142 4.3 9.7 1.0 CB A:ASP30 4.3 7.9 1.0 CB A:ASN136 4.3 9.2 1.0 CB A:GLN139 4.3 15.1 1.0 HA A:ASP140 4.3 19.5 1.0 HD23 A:LEU137 4.4 11.7 1.0 ND2 A:ASN142 4.5 12.4 1.0 C A:LEU137 4.5 12.7 1.0 HD21 A:ASN142 4.5 14.9 1.0 N A:ASP140 4.6 14.8 1.0 HB2 A:ASN142 4.6 11.7 1.0 O A:HOH1242 4.6 12.3 1.0 HB3 A:GLN139 4.7 18.1 1.0 HB2 A:ASP30 4.7 9.4 1.0 HB3 A:ASP30 4.7 9.4 1.0 H A:PHE143 4.7 8.1 1.0 HB3 A:ASN136 4.7 11.1 1.0 O A:LEU137 4.8 13.8 1.0 CA A:ASP140 4.8 16.3 1.0 C A:ASP140 4.8 15.3 1.0 CD1 A:PHE143 4.9 7.8 1.0 O A:HOH1204 4.9 7.4 1.0 H A:LEU137 4.9 11.0 1.0 HD1 A:PHE143 4.9 9.4 1.0 HA A:ASN142 4.9 11.2 1.0 HG23 A:VAL144 4.9 14.9 1.0 H A:ASP30 5.0 10.7 1.0 HA A:ASP30 5.0 9.2 1.0 HD22 A:ASN136 5.0 11.4 1.0

Calcium binding site 2 out of 4 in the Acylintermediate of Glutathione and the Mature Primitive Phytochelatin Synthase ALR0975 From Nostoc Pcc 7120 at Atomic Resolution.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Acylintermediate of Glutathione and the Mature Primitive Phytochelatin Synthase ALR0975 From Nostoc Pcc 7120 at Atomic Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1003 b:24.9 occ:1.00 O B:HOH1112 2.2 26.6 1.0 OE1 A:GLU29 2.3 24.2 0.2 O B:HOH1157 2.3 22.9 1.0 O A:HOH1158 2.3 25.9 0.3 OE2 A:GLU29 2.4 23.6 0.2 O A:HOH1279 2.4 26.2 0.5 O A:HOH1279 2.4 36.5 0.5 OD2 A:ASP140 2.4 24.5 1.0 OD1 A:ASP140 2.5 19.7 1.0 CD A:GLU29 2.5 22.0 0.2 OE2 A:GLU29 2.6 26.3 0.8 CG A:ASP140 2.8 20.8 1.0 HB3 A:GLU29 3.4 19.1 0.8 HB3 A:GLU29 3.6 19.4 0.2 O A:HOH1158 3.7 33.0 0.7 CD A:GLU29 3.7 24.2 0.8 CG A:GLU29 3.8 19.6 0.2 HG3 A:GLU29 3.9 25.0 0.8 OD1 B:ASN16 4.0 22.3 0.5 OD1 B:ASN16 4.0 19.6 0.0 OE2 B:GLU19 4.1 19.8 1.0 OE1 B:GLU19 4.1 17.4 1.0 CG A:GLU29 4.1 20.9 0.8 CB A:GLU29 4.2 15.9 0.8 CB A:GLU29 4.2 16.1 0.2 HG3 A:GLU29 4.2 23.5 0.2 HD21 B:ASN14 4.3 13.9 0.4 CB A:ASP140 4.3 18.2 1.0 O B:HOH1333 4.4 41.6 1.0 HA A:GLU29 4.4 13.4 0.8 HA A:GLU29 4.4 14.5 0.2 HG2 A:GLU29 4.5 23.5 0.2 CD B:GLU19 4.5 18.4 1.0 OD1 B:ASN16 4.6 25.3 0.5 HB3 A:ASP140 4.7 21.9 1.0 HB2 A:ASP140 4.7 21.9 1.0 O A:HOH1248 4.7 54.0 1.0 OE1 A:GLU29 4.8 25.1 0.8 CA A:GLU29 4.8 11.2 0.8 CA A:GLU29 4.8 12.1 0.2 O A:GLU29 4.8 11.8 1.0 O A:HOH1108 4.9 35.5 0.8 HB2 A:GLU29 4.9 19.1 0.8 O A:HOH1242 4.9 12.3 1.0 HB2 A:GLU29 5.0 19.4 0.2 ND2 B:ASN14 5.0 11.6 0.4

Calcium binding site 3 out of 4 in the Acylintermediate of Glutathione and the Mature Primitive Phytochelatin Synthase ALR0975 From Nostoc Pcc 7120 at Atomic Resolution.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Acylintermediate of Glutathione and the Mature Primitive Phytochelatin Synthase ALR0975 From Nostoc Pcc 7120 at Atomic Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1004 b:45.2 occ:1.00 O A:HOH1187 2.0 12.8 0.5 OE1 B:GLU29 2.3 41.3 0.9 O A:HOH1298 2.4 48.3 1.0 OE2 B:GLU29 2.4 46.0 0.1 OD1 A:ASN16 2.4 37.0 1.0 OE1 B:GLU29 2.5 46.0 0.1 O A:HOH1137 2.5 28.3 1.0 OE1 A:GLU19 2.5 46.4 0.3 OE1 A:GLU19 2.5 45.4 0.7 O B:HOH1124 2.5 43.3 1.0 OE2 A:GLU19 2.5 46.3 0.3 OE2 A:GLU19 2.6 45.4 0.7 CD B:GLU29 2.7 43.5 0.1 CD A:GLU19 2.8 44.3 0.3 CD A:GLU19 2.8 42.6 0.7 HA A:ASN16 3.3 18.8 1.0 CD B:GLU29 3.4 35.6 0.9 CG A:ASN16 3.6 27.7 1.0 O A:HOH1187 3.7 18.9 0.5 OD2 B:ASP140 4.0 22.4 0.6 OE2 B:GLU29 4.0 37.3 0.9 CG B:GLU29 4.1 35.7 0.1 CA A:ASN16 4.1 15.6 1.0 CG A:GLU19 4.2 35.0 0.7 CG A:GLU19 4.2 37.9 0.3 HG2 B:GLU29 4.3 42.9 0.1 HG3 A:GLU19 4.4 42.0 0.7 CB A:ASN16 4.4 20.0 1.0 HG3 A:GLU19 4.5 45.5 0.3 HB2 A:GLU19 4.5 36.0 0.3 HB2 A:GLU19 4.5 31.6 0.7 N A:ASN16 4.5 14.0 1.0 HG3 B:GLU29 4.5 30.8 0.9 HG3 B:GLU29 4.5 42.9 0.1 CG B:GLU29 4.5 25.7 0.9 HD21 A:ASN16 4.6 33.3 0.7 HB3 B:GLU29 4.6 18.6 0.9 ND2 A:ASN16 4.6 27.8 1.0 O A:ASN14 4.7 8.9 0.4 HB3 A:ASN16 4.8 24.0 1.0 OD1 B:ASP140 4.8 22.7 0.6 H A:ASN16 4.8 16.8 0.7 CG B:ASP140 4.8 20.5 0.6 HG2 A:GLU19 4.8 45.5 0.3 HG2 A:GLU19 4.9 42.0 0.7 HA B:GLU29 4.9 18.9 1.0 C A:SER15 4.9 13.7 0.2 CB A:GLU19 4.9 30.0 0.3 C A:SER15 4.9 12.8 0.4 O A:SER15 4.9 13.4 0.4 CB A:GLU19 4.9 26.3 0.7 HD21 A:ASN14 4.9 15.2 0.4 C A:SER15 4.9 12.0 0.4 O A:SER15 5.0 13.9 0.2 HD22 A:ASN14 5.0 15.2 0.4

Calcium binding site 4 out of 4 in the Acylintermediate of Glutathione and the Mature Primitive Phytochelatin Synthase ALR0975 From Nostoc Pcc 7120 at Atomic Resolution.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Acylintermediate of Glutathione and the Mature Primitive Phytochelatin Synthase ALR0975 From Nostoc Pcc 7120 at Atomic Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1002 b:7.4 occ:1.00 O B:ASN136 2.3 8.4 1.0 O B:ASN142 2.3 6.9 1.0 OD1 B:ASN142 2.3 9.1 1.0 O B:GLN139 2.4 10.2 1.0 OD1 B:ASP30 2.4 8.6 1.0 OD2 B:ASP30 2.4 7.4 1.0 OD1 B:ASN136 2.4 7.7 1.0 CG B:ASP30 2.8 7.8 1.0 C B:ASN142 3.2 6.8 1.0 C B:ASN136 3.2 8.3 1.0 CG B:ASN136 3.4 7.8 1.0 H B:ASN142 3.5 10.6 1.0 CG B:ASN142 3.5 8.9 1.0 HB2 B:GLN139 3.5 13.8 1.0 C B:GLN139 3.5 10.5 1.0 H B:GLN139 3.5 12.6 1.0 HA B:LEU137 3.5 9.9 1.0 HA B:PHE143 3.5 7.8 1.0 HA B:ASN136 3.9 10.6 1.0 N B:PHE143 4.0 6.6 1.0 CA B:ASN142 4.0 7.8 1.0 CA B:ASN136 4.0 8.8 1.0 N B:ASN142 4.1 8.8 1.0 N B:LEU137 4.1 8.6 1.0 N B:GLN139 4.1 10.5 1.0 HD21 B:ASN136 4.2 10.2 1.0 CA B:LEU137 4.2 8.3 1.0 CA B:GLN139 4.2 10.5 1.0 ND2 B:ASN136 4.2 8.5 1.0 CB B:GLN139 4.3 11.5 1.0 CA B:PHE143 4.3 6.5 1.0 CB B:ASN136 4.3 9.3 1.0 CB B:ASN142 4.3 8.1 1.0 CB B:ASP30 4.3 7.6 1.0 HA B:ASP140 4.3 13.8 0.5 HA B:ASP140 4.4 15.0 0.6 HD23 B:LEU137 4.5 11.5 1.0 C B:LEU137 4.5 8.8 1.0 ND2 B:ASN142 4.5 11.4 1.0 HD21 B:ASN142 4.5 13.7 1.0 HB3 B:GLN139 4.6 13.8 1.0 N B:ASP140 4.6 11.4 1.0 O B:HOH1200 4.6 12.7 1.0 HB2 B:ASN142 4.6 9.7 1.0 HB2 B:ASP30 4.7 9.1 1.0 H B:PHE143 4.7 7.9 1.0 HB3 B:ASN136 4.7 11.2 1.0 HB3 B:ASP30 4.7 9.1 1.0 O B:LEU137 4.7 10.0 1.0 CA B:ASP140 4.8 11.5 0.5 CA B:ASP140 4.8 12.5 0.6 O B:HOH1199 4.9 7.4 1.0 CD1 B:PHE143 4.9 7.0 1.0 HG23 B:VAL144 4.9 13.6 1.0 H B:LEU137 4.9 10.3 1.0 C B:ASP140 4.9 10.9 1.0 HD1 B:PHE143 4.9 8.4 1.0 HA B:ASN142 4.9 9.4 1.0 HA B:ASP30 4.9 9.3 1.0 H B:ASP30 5.0 10.1 1.0 HD22 B:ASN136 5.0 10.2 1.0

C.G.Feiler, W.Blankenfeldt. Acylintermediate of Glutathione and the Mature Primitive Phytochelatin Synthase ALR0975 From Nostoc Pcc 7120 at Atomic Resolution. To Be Published.