Calcium in PDB 6y8f: An Inactive (D136N and D137N) Variant of Alpha-1,6-Mannanase, GH76A of Salegentibacter Sp. HEL1_6 in Complex with Alpha-1,6-Mannotriose

The structure of An Inactive (D136N and D137N) Variant of Alpha-1,6-Mannanase, GH76A of Salegentibacter Sp. HEL1_6 in Complex with Alpha-1,6-Mannotriose, PDB code: 6y8f was solved by J.H.Hehemann, V.A.Solanki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.55 / 1.47
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.311, 82.774, 49.7, 90, 94.44, 90
R / Rfree (%)	16.2 / 19.9

The binding sites of Calcium atom in the An Inactive (D136N and D137N) Variant of Alpha-1,6-Mannanase, GH76A of Salegentibacter Sp. HEL1_6 in Complex with Alpha-1,6-Mannotriose (pdb code 6y8f). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the An Inactive (D136N and D137N) Variant of Alpha-1,6-Mannanase, GH76A of Salegentibacter Sp. HEL1_6 in Complex with Alpha-1,6-Mannotriose, PDB code: 6y8f:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the An Inactive (D136N and D137N) Variant of Alpha-1,6-Mannanase, GH76A of Salegentibacter Sp. HEL1_6 in Complex with Alpha-1,6-Mannotriose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of An Inactive (D136N and D137N) Variant of Alpha-1,6-Mannanase, GH76A of Salegentibacter Sp. HEL1_6 in Complex with Alpha-1,6-Mannotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:21.2 occ:1.00 OE2 A:GLU60 2.4 24.4 1.0 O A:HOH623 2.5 19.5 1.0 OE2 A:GLU64 2.6 22.9 1.0 CD A:GLU60 3.5 24.6 1.0 CD A:GLU64 3.5 22.0 1.0 CG A:GLU64 3.6 20.4 1.0 CG A:GLU60 4.0 23.0 1.0 O A:HOH687 4.1 24.6 1.0 O A:HOH734 4.2 24.7 1.0 O A:HOH501 4.3 26.1 1.0 OE1 A:GLU60 4.5 26.0 1.0 OH A:TYR111 4.6 20.3 1.0 O A:HOH630 4.6 28.1 1.0 OD2 A:ASP108 4.7 27.0 1.0 O A:HOH787 4.7 30.0 1.0 OE1 A:GLU64 4.7 26.3 1.0

Calcium binding site 2 out of 3 in the An Inactive (D136N and D137N) Variant of Alpha-1,6-Mannanase, GH76A of Salegentibacter Sp. HEL1_6 in Complex with Alpha-1,6-Mannotriose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of An Inactive (D136N and D137N) Variant of Alpha-1,6-Mannanase, GH76A of Salegentibacter Sp. HEL1_6 in Complex with Alpha-1,6-Mannotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:38.8 occ:1.00 O A:HOH798 2.3 32.0 1.0 OE1 A:GLU109 2.3 25.4 1.0 O A:HOH741 2.3 26.3 1.0 O A:GLY107 2.4 23.2 1.0 OE2 A:GLU109 2.6 27.3 1.0 CD A:GLU109 2.7 23.9 1.0 C A:GLY107 3.5 23.1 1.0 CA A:GLY107 4.1 21.3 1.0 OH A:TYR103 4.2 29.3 1.0 CG A:GLU109 4.2 23.5 1.0 N A:GLU109 4.5 23.3 1.0 N A:ASP108 4.6 22.8 1.0 CE1 A:TYR103 4.8 24.6 1.0 CZ A:TYR103 4.9 25.4 1.0 CA A:ASP108 4.9 23.5 1.0 CB A:GLU109 4.9 22.2 1.0 C A:ASP108 5.0 22.4 1.0

Calcium binding site 3 out of 3 in the An Inactive (D136N and D137N) Variant of Alpha-1,6-Mannanase, GH76A of Salegentibacter Sp. HEL1_6 in Complex with Alpha-1,6-Mannotriose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of An Inactive (D136N and D137N) Variant of Alpha-1,6-Mannanase, GH76A of Salegentibacter Sp. HEL1_6 in Complex with Alpha-1,6-Mannotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca406 b:28.0 occ:1.00 O A:HOH614 2.3 29.0 1.0 O A:HOH737 2.4 42.9 1.0 O A:ASN128 2.4 21.8 1.0 O A:HOH921 2.5 41.2 1.0 O A:HOH830 2.5 32.2 1.0 C A:ASN128 3.5 21.0 1.0 CA A:LYS129 4.2 17.9 1.0 N A:LYS129 4.2 19.0 1.0 OE2 A:GLU123 4.3 22.1 1.0 O A:HOH784 4.3 31.5 1.0 CB A:ASN128 4.5 20.9 1.0 CB A:LYS129 4.5 18.4 1.0 CA A:ASN128 4.5 20.2 1.0 O A:HOH525 4.7 21.8 1.0

J.H.Hehemann, V.A.Solanki. An Inactive (D136N and D137N) Variant of Alpha-1,6-Mannanase, GH76A of Salegentibacter Sp. HEL1_6 in Complex with Alpha-1,6-Mannotriose To Be Published.