Calcium in PDB 6a8i: Crystal Structure of Endo-Arabinanase Abn-Ts D147N Mutant in Complex with Arabinohexaose

All present enzymatic activity of Crystal Structure of Endo-Arabinanase Abn-Ts D147N Mutant in Complex with Arabinohexaose:
3.2.1.99;

The structure of Crystal Structure of Endo-Arabinanase Abn-Ts D147N Mutant in Complex with Arabinohexaose, PDB code: 6a8i was solved by A.Yamaguchi, T.Tada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.809, 92.260, 78.673, 90.00, 91.52, 90.00
R / Rfree (%)	18.1 / 23.3

The binding sites of Calcium atom in the Crystal Structure of Endo-Arabinanase Abn-Ts D147N Mutant in Complex with Arabinohexaose (pdb code 6a8i). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Endo-Arabinanase Abn-Ts D147N Mutant in Complex with Arabinohexaose, PDB code: 6a8i:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Endo-Arabinanase Abn-Ts D147N Mutant in Complex with Arabinohexaose


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 Endo-Arabinanase Abn-Ts D147N Mutant in Complex with Arabinohexaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:42.8 occ:1.00 O A:HOH548 2.4 17.1 1.0 O A:HOH586 2.4 16.3 1.0 O A:HOH598 2.4 18.7 1.0 O A:HOH546 2.4 26.1 1.0 NE2 A:HIS271 2.8 29.8 1.0 CD2 A:HIS271 3.4 27.3 1.0 O A:HOH566 3.7 38.2 1.0 O A:PRO148 3.7 13.6 1.0 O A:HOH523 3.8 16.7 1.0 CE1 A:HIS271 3.9 27.5 1.0 O A:PRO203 4.0 12.4 1.0 CG A:HIS271 4.5 24.1 1.0 CD2 A:PHE204 4.5 12.1 1.0 O A:CYS272 4.6 15.6 1.0 O A:ASN147 4.7 15.8 1.0 O A:PRO86 4.7 13.2 1.0 C A:PRO148 4.8 13.4 1.0 ND1 A:HIS271 4.8 26.6 1.0 C A:ALA202 4.8 14.0 1.0 C A:ASN147 4.9 14.1 1.0 CA A:ALA202 4.9 14.6 1.0 CG1 A:VAL29 4.9 13.3 1.0 O A:ALA202 4.9 14.2 1.0 CB A:ALA202 5.0 14.8 1.0 OD1 A:ASP87 5.0 18.2 1.0 CB A:ASN149 5.0 13.0 1.0 C A:PRO203 5.0 13.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Endo-Arabinanase Abn-Ts D147N Mutant in Complex with Arabinohexaose


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 Endo-Arabinanase Abn-Ts D147N Mutant in Complex with Arabinohexaose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:42.6 occ:1.00 O B:HOH556 2.3 10.6 1.0 O B:HOH518 2.4 15.8 1.0 O B:HOH592 2.4 18.9 1.0 O B:HOH586 2.4 15.2 1.0 NE2 B:HIS271 3.4 26.5 1.0 CD2 B:HIS271 3.4 26.5 1.0 O B:HOH591 3.7 40.8 1.0 O B:HOH526 3.7 13.4 1.0 O B:PRO148 3.7 12.7 1.0 O B:PRO203 4.0 12.1 1.0 O B:CYS272 4.6 14.7 1.0 CE1 B:HIS271 4.6 25.5 1.0 CD2 B:PHE204 4.7 12.9 1.0 O B:ASN147 4.7 12.7 1.0 CA B:ALA202 4.7 13.8 1.0 CB B:ALA202 4.7 13.0 1.0 CG B:HIS271 4.7 21.7 1.0 O B:PRO86 4.7 11.1 1.0 C B:ASN147 4.8 13.5 1.0 C B:PRO148 4.8 13.0 1.0 C B:ALA202 4.8 12.9 1.0 CB B:ASN147 4.9 14.5 1.0 O B:ALA202 4.9 13.6 1.0 O B:ALA85 4.9 14.8 1.0 CA B:ASN147 4.9 13.1 1.0

A.Yamaguchi, Y.Sogabe, S.Fukuoka, T.Sakai, T.Tada. Structures of Endo-1,5-Alpha-L-Arabinanase Mutants From Bacillus Thermodenitrificans Ts-3 in Complex with Arabino-Oligosaccharides. Acta Crystallogr F Struct V. 74 774 2018BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 30511671
DOI: 10.1107/S2053230X18015947