Calcium in PDB 1gtt: Crystal Structure of Hpce

All present enzymatic activity of Crystal Structure of Hpce:
5.3.3.10;

The structure of Crystal Structure of Hpce, PDB code: 1gtt was solved by J.R.H.Tame, K.Namba, E.J.Dodson, D.I.Roper, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.29 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	126.084, 138.201, 103.973, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 25.2

The binding sites of Calcium atom in the Crystal Structure of Hpce (pdb code 1gtt). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Hpce, PDB code: 1gtt:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Hpce


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 Hpce within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1430 b:27.1 occ:1.00 OE1 A:GLU276 2.3 28.6 1.0 OE2 A:GLU278 2.3 29.3 1.0 OD2 A:ASP307 2.3 28.0 1.0 O A:HOH2198 2.3 24.9 1.0 O A:HOH2197 2.4 29.1 1.0 O A:HOH2244 2.4 29.3 1.0 CG A:ASP307 3.4 26.5 1.0 CD A:GLU278 3.4 28.4 1.0 CD A:GLU276 3.5 31.2 1.0 O A:LEU228 3.7 31.2 1.0 OE1 A:GLU278 3.8 28.4 1.0 CB A:ASP307 3.8 25.8 1.0 NZ A:LYS325 4.1 28.4 1.0 OE2 A:GLU276 4.2 36.8 1.0 O A:HOH2225 4.2 39.4 1.0 OD1 A:ASP307 4.5 28.7 1.0 CB A:GLU276 4.5 27.5 1.0 CG A:GLU276 4.5 27.7 1.0 O A:HOH2200 4.5 41.8 1.0 CG A:GLU278 4.6 23.3 1.0 O A:ASP307 4.7 23.9 1.0 CA A:GLY394 4.7 26.1 1.0 CE A:LYS325 4.7 32.5 1.0 CZ A:PHE250 4.8 28.0 1.0 C A:LEU228 4.9 30.5 1.0 C A:GLY394 5.0 26.4 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Hpce


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 Hpce within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1430 b:32.0 occ:1.00 OE2 B:GLU278 2.3 32.1 1.0 OE1 B:GLU276 2.3 33.7 1.0 O B:HOH2232 2.3 34.0 1.0 O B:HOH2184 2.3 31.0 1.0 OD2 B:ASP307 2.3 29.8 1.0 O B:HOH2185 2.4 33.5 1.0 CD B:GLU278 3.4 33.2 1.0 CG B:ASP307 3.4 31.6 1.0 CD B:GLU276 3.5 35.1 1.0 O B:LEU228 3.6 34.5 1.0 OE1 B:GLU278 3.8 31.9 1.0 CB B:ASP307 3.9 28.6 1.0 NZ B:LYS325 4.0 31.5 1.0 OE2 B:GLU276 4.2 42.9 1.0 O B:HOH2214 4.4 36.9 1.0 CB B:GLU276 4.5 30.5 1.0 OD1 B:ASP307 4.5 30.9 1.0 CG B:GLU276 4.5 31.3 1.0 O B:HOH2187 4.6 49.2 1.0 CG B:GLU278 4.6 30.0 1.0 CA B:GLY394 4.6 32.5 1.0 O B:ASP307 4.6 29.6 1.0 CE B:LYS325 4.7 34.9 1.0 C B:LEU228 4.8 34.3 1.0 CZ B:PHE250 4.9 33.5 1.0 CG2 B:THR395 5.0 33.3 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Hpce


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 Hpce within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1430 b:32.5 occ:1.00 OE2 C:GLU278 2.3 34.3 1.0 O C:HOH2198 2.3 28.5 1.0 OD2 C:ASP307 2.3 32.1 1.0 OE1 C:GLU276 2.3 34.6 1.0 O C:HOH2248 2.3 32.3 1.0 O C:HOH2199 2.4 32.6 1.0 CG C:ASP307 3.4 30.0 1.0 CD C:GLU278 3.4 32.4 1.0 CD C:GLU276 3.5 37.2 1.0 O C:LEU228 3.7 38.1 1.0 OE1 C:GLU278 3.8 31.0 1.0 CB C:ASP307 3.8 28.7 1.0 NZ C:LYS325 3.9 34.9 1.0 OE2 C:GLU276 4.2 41.7 1.0 OD1 C:ASP307 4.5 31.2 1.0 CB C:GLU276 4.5 35.4 1.0 CG C:GLU276 4.6 34.8 1.0 CZ C:PHE250 4.6 34.3 1.0 CG C:GLU278 4.6 29.7 1.0 CE C:LYS325 4.7 38.6 1.0 O C:ASP307 4.7 30.2 1.0 CA C:GLY394 4.7 31.3 1.0 O C:HOH2201 4.8 40.5 1.0 C C:LEU228 4.9 34.5 1.0 CE1 C:PHE250 4.9 30.2 1.0 CG2 C:THR395 5.0 33.6 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Hpce


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 Hpce within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1430 b:36.9 occ:1.00 OE2 D:GLU278 2.3 35.3 1.0 O D:HOH2199 2.3 40.2 1.0 O D:HOH2156 2.3 38.2 1.0 OE1 D:GLU276 2.3 39.5 1.0 OD2 D:ASP307 2.3 34.7 1.0 O D:HOH2155 2.4 32.0 1.0 CD D:GLU278 3.3 37.3 1.0 CG D:ASP307 3.4 33.2 1.0 CD D:GLU276 3.5 44.5 1.0 OE1 D:GLU278 3.7 35.4 1.0 O D:LEU228 3.7 39.2 1.0 O D:HOH2179 3.8 73.3 1.0 CB D:ASP307 3.9 33.7 1.0 OE2 D:GLU276 4.0 47.7 1.0 NZ D:LYS325 4.3 42.1 1.0 OD1 D:ASP307 4.5 38.4 1.0 CG D:GLU278 4.5 34.0 1.0 CB D:GLU276 4.6 40.6 1.0 CA D:GLY394 4.6 31.6 1.0 O D:ASP307 4.7 36.6 1.0 CG D:GLU276 4.7 42.7 1.0 CE D:LYS325 4.7 42.5 1.0 CZ D:PHE250 4.8 35.1 1.0 C D:LEU228 5.0 37.3 1.0 C D:GLY394 5.0 32.8 1.0 N D:THR395 5.0 34.3 1.0

J.R.H.Tame, K.Namba, E.J.Dodson, D.I.Roper. The Crystal Structure of Hpce, A Bifunctional Decarboxylase/Isomerase with A Multifunctional Fold. Biochemistry V. 41 2982 2002.
ISSN: ISSN 0006-2960
PubMed: 11863436
DOI: 10.1021/BI015717T