Calcium in PDB 3wt3: New Crystal Form of A Hyperthermophilic Endocellulase

All present enzymatic activity of New Crystal Form of A Hyperthermophilic Endocellulase:
3.2.1.4;

The structure of New Crystal Form of A Hyperthermophilic Endocellulase, PDB code: 3wt3 was solved by M.Kataoka, K.Ishikawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.01 / 1.68
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	134.729, 62.568, 86.284, 90.00, 95.08, 90.00
R / Rfree (%)	18.1 / 21.8

The binding sites of Calcium atom in the New Crystal Form of A Hyperthermophilic Endocellulase (pdb code 3wt3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the New Crystal Form of A Hyperthermophilic Endocellulase, PDB code: 3wt3:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the New Crystal Form of A Hyperthermophilic Endocellulase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of New Crystal Form of A Hyperthermophilic Endocellulase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:34.7 occ:0.64 O A:ASN74 2.0 25.6 1.0 OE2 A:GLU76 2.2 33.7 1.0 OD1 A:ASP70 2.4 57.1 1.0 OD1 A:ASP68 2.5 39.6 1.0 OD1 A:ASP72 2.6 52.0 1.0 OD2 A:ASP142 3.0 35.4 1.0 CG A:ASP72 3.1 56.1 1.0 C A:ASN74 3.2 26.6 1.0 OD2 A:ASP72 3.3 50.3 1.0 CD A:GLU76 3.4 29.2 1.0 CG A:ASP70 3.5 65.7 1.0 CG A:ASP68 3.6 39.2 1.0 CG A:ASP142 3.7 26.9 1.0 CB A:ASP142 3.9 19.0 1.0 OD2 A:ASP70 4.0 65.3 1.0 CA A:ASN74 4.1 32.9 1.0 N A:ASN74 4.1 32.9 1.0 N A:PRO75 4.1 24.6 1.0 OE1 A:GLU76 4.1 28.7 1.0 CA A:PRO75 4.1 21.2 1.0 N A:ASP72 4.1 60.0 1.0 CA A:ASP68 4.2 27.4 1.0 C A:PRO75 4.2 20.9 1.0 CB A:ASN74 4.3 34.3 1.0 CB A:ASP72 4.3 50.2 1.0 N A:GLU76 4.4 18.4 1.0 N A:ASP70 4.4 53.3 1.0 OD2 A:ASP68 4.4 49.8 1.0 C A:ASP68 4.5 38.7 1.0 CB A:ASP68 4.5 32.4 1.0 N A:LYS69 4.5 40.1 1.0 CG A:GLU76 4.5 25.0 1.0 O A:HOH881 4.6 57.2 1.0 CA A:ASP72 4.6 51.2 1.0 CB A:ASP70 4.8 61.8 1.0 N A:GLY71 4.8 63.1 1.0 N A:GLY73 4.9 47.8 1.0 OD1 A:ASP142 4.9 30.2 1.0 O A:HOH847 4.9 49.7 1.0 O A:PRO75 4.9 19.6 1.0 CA A:ASP70 4.9 63.7 1.0 C A:ASP72 4.9 55.3 1.0 C A:ASP70 5.0 67.7 1.0

Calcium binding site 2 out of 4 in the New Crystal Form of A Hyperthermophilic Endocellulase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of New Crystal Form of A Hyperthermophilic Endocellulase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:21.9 occ:0.74 O A:ASN136 2.3 17.6 1.0 O A:LYS133 2.3 13.0 1.0 O A:ASN138 2.4 14.5 1.0 OD1 A:ASN132 2.4 16.0 1.0 O A:HOH650 2.4 18.9 1.0 N A:ASN138 3.2 15.8 1.0 C A:ASN138 3.3 14.3 1.0 C A:ASN136 3.3 15.6 1.0 C A:LYS133 3.4 13.5 1.0 CG A:ASN132 3.5 15.7 1.0 C A:ALA137 3.5 18.5 1.0 N A:LYS133 3.6 12.8 1.0 OD1 A:ASN136 3.7 14.0 1.0 CA A:ASN138 3.8 14.7 1.0 CA A:ALA137 3.8 19.9 1.0 CA A:LYS133 4.0 11.6 1.0 N A:ALA137 4.0 16.4 1.0 ND2 A:ASN132 4.1 15.4 1.0 O A:ALA137 4.2 19.8 1.0 C A:ASN132 4.2 13.4 1.0 O A:ARG187 4.2 16.3 1.0 CG2 A:THR188 4.3 20.8 1.0 CB A:LYS133 4.4 12.6 1.0 N A:TYR139 4.4 14.0 1.0 CA A:ASN136 4.4 15.1 1.0 N A:ASN136 4.4 15.1 1.0 N A:PRO134 4.5 12.8 1.0 CA A:ASN132 4.5 14.0 1.0 CB A:ASN132 4.6 14.2 1.0 CB A:TYR139 4.6 15.8 1.0 CA A:PRO134 4.7 14.7 1.0 CB A:ASN138 4.8 15.4 1.0 CA A:THR188 4.8 20.2 1.0 CG A:ASN136 4.8 13.8 1.0 CA A:TYR139 4.8 14.8 1.0 CB A:THR188 4.8 20.0 1.0 O A:HOH766 4.9 32.8 1.0 C A:PRO134 5.0 16.4 1.0

Calcium binding site 3 out of 4 in the New Crystal Form of A Hyperthermophilic Endocellulase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of New Crystal Form of A Hyperthermophilic Endocellulase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca501 b:52.7 occ:0.76 OE2 B:GLU76 2.1 36.2 0.5 OD1 B:ASP72 2.3 66.7 1.0 O B:ASN74 2.4 37.6 1.0 OD1 B:ASP68 2.5 41.6 0.6 OD1 B:ASP70 2.5 89.0 1.0 OD2 B:ASP142 3.0 43.4 1.0 CG B:ASP72 3.2 62.6 1.0 CD B:GLU76 3.3 35.1 0.5 C B:ASN74 3.3 36.5 1.0 CG B:ASP70 3.5 86.3 1.0 OD2 B:ASP72 3.6 64.4 1.0 CG B:ASP68 3.6 40.6 0.6 OD2 B:ASP70 3.9 86.4 1.0 CA B:ASP68 3.9 36.2 0.6 CG B:ASP142 4.0 42.0 1.0 CA B:ASP68 4.0 34.2 0.4 N B:GLU76 4.0 28.5 0.5 N B:GLU76 4.0 27.0 0.5 CA B:PRO75 4.1 36.4 1.0 N B:PRO75 4.1 40.4 1.0 CG B:GLU76 4.1 37.0 0.5 O B:HOH771 4.1 50.2 0.8 N B:ASN74 4.2 39.5 1.0 C B:ASP68 4.2 39.2 0.6 C B:PRO75 4.2 34.1 1.0 CB B:ASP142 4.2 41.2 1.0 OE1 B:GLU76 4.3 35.9 0.5 CA B:ASN74 4.3 37.6 1.0 CB B:ASP68 4.3 33.7 0.4 CB B:ASP68 4.3 37.5 0.6 N B:ASP72 4.4 65.7 1.0 CB B:ASP72 4.4 64.3 1.0 OD1 B:ASP68 4.4 37.1 0.4 N B:LYS69 4.5 42.2 1.0 C B:ASP68 4.5 37.8 0.4 N B:ASP70 4.5 71.3 1.0 CG B:ASP68 4.6 33.1 0.4 N B:GLY73 4.6 50.6 1.0 OD2 B:ASP68 4.6 37.2 0.6 O B:ASP68 4.7 45.9 0.6 O B:ILE67 4.8 31.4 1.0 CA B:ASP72 4.8 64.8 1.0 CB B:ASP70 4.8 80.3 1.0 N B:GLY71 4.9 67.1 1.0 C B:ASP72 4.9 65.2 1.0 CB B:ASN74 4.9 44.2 1.0 C B:GLY73 5.0 41.7 1.0

Calcium binding site 4 out of 4 in the New Crystal Form of A Hyperthermophilic Endocellulase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of New Crystal Form of A Hyperthermophilic Endocellulase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca502 b:64.6 occ:1.00 O B:ASN136 2.4 40.2 1.0 O B:ASN138 2.5 36.6 1.0 OD1 B:ASN132 2.6 39.2 1.0 O B:LYS133 2.6 33.7 1.0 N B:ASN138 3.1 39.5 1.0 C B:ASN138 3.3 38.9 1.0 C B:ASN136 3.5 30.6 1.0 C B:ALA137 3.5 42.3 1.0 C B:LYS133 3.6 31.5 1.0 CG B:ASN132 3.7 41.2 1.0 CA B:ASN138 3.7 38.2 1.0 N B:LYS133 3.8 35.8 1.0 CA B:ALA137 3.8 39.5 1.0 CG2 B:THR188 3.9 54.8 1.0 O B:ARG187 4.0 50.3 1.0 OD1 B:ASN136 4.0 37.7 1.0 N B:ALA137 4.1 40.9 1.0 CA B:LYS133 4.2 32.5 1.0 ND2 B:ASN132 4.3 46.0 1.0 O B:ALA137 4.3 41.6 1.0 CB B:THR188 4.3 55.6 1.0 N B:TYR139 4.4 36.7 1.0 N B:ASN136 4.5 27.0 1.0 C B:ASN132 4.5 35.4 1.0 CA B:THR188 4.6 50.2 1.0 CB B:LYS133 4.6 32.4 1.0 CB B:TYR139 4.6 33.9 1.0 CA B:ASN136 4.7 37.5 1.0 CB B:ASN138 4.7 28.2 1.0 N B:PRO134 4.7 32.9 1.0 CA B:TYR139 4.8 33.2 1.0 CA B:ASN132 4.8 33.5 1.0 CB B:ASN132 4.9 40.1 1.0 C B:ARG187 5.0 61.7 1.0

M.Kataoka, K.Ishikawa. A New Crystal Form of A Hyperthermophilic Endocellulase To Be Published.