Calcium in PDB 6f1j: Structure of A Talaromyces Pinophilus GH62 Arabinofuranosidase in Complex with Aradnj at 1.25A Resolution

The structure of Structure of A Talaromyces Pinophilus GH62 Arabinofuranosidase in Complex with Aradnj at 1.25A Resolution, PDB code: 6f1j was solved by O.V.Moroz, L.Sobala, E.Blagova, T.Coyle, K.B.R.Morkeberg Krogh, P.Wei, K.Stubbs, K.S.Wilson, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.52 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.827, 88.978, 72.663, 90.00, 95.22, 90.00
R / Rfree (%)	12 / 13.6

The structure of Structure of A Talaromyces Pinophilus GH62 Arabinofuranosidase in Complex with Aradnj at 1.25A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Structure of A Talaromyces Pinophilus GH62 Arabinofuranosidase in Complex with Aradnj at 1.25A Resolution (pdb code 6f1j). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of A Talaromyces Pinophilus GH62 Arabinofuranosidase in Complex with Aradnj at 1.25A Resolution, PDB code: 6f1j:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of A Talaromyces Pinophilus GH62 Arabinofuranosidase in Complex with Aradnj at 1.25A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of A Talaromyces Pinophilus GH62 Arabinofuranosidase in Complex with Aradnj at 1.25A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:3.2 occ:1.00 O A:HOH551 2.4 4.1 1.0 O A:HOH658 2.5 4.4 1.0 O A:HOH670 2.5 4.8 1.0 O A:HOH615 2.5 5.5 1.0 O A:HOH536 2.5 4.9 1.0 OE2 A:GLU215 2.5 4.3 1.0 O A:HOH540 2.6 4.9 1.0 O A:HOH611 2.7 5.1 1.0 CD A:GLU215 3.5 3.9 1.0 OE1 A:GLU215 3.9 4.5 1.0 O A:GLN161 4.2 4.2 1.0 O A:GLY279 4.3 4.0 1.0 O A:PRO104 4.4 4.5 1.0 OG A:SER278 4.6 4.1 1.0 O A:HOH547 4.6 5.6 1.0 O A:VAL214 4.6 4.0 1.0 O A:HOH702 4.7 5.5 1.0 O A:ALA103 4.8 3.6 1.0 O A:ASP52 4.8 3.9 1.0 OD1 A:ASP160 4.9 5.7 1.0 CG A:GLU215 4.9 4.1 1.0 O A:TYR53 4.9 3.8 1.0 OG1 A:THR105 4.9 5.2 1.0

Calcium binding site 2 out of 2 in the Structure of A Talaromyces Pinophilus GH62 Arabinofuranosidase in Complex with Aradnj at 1.25A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of A Talaromyces Pinophilus GH62 Arabinofuranosidase in Complex with Aradnj at 1.25A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:3.5 occ:1.00 O B:HOH554 2.4 4.4 1.0 O B:HOH642 2.5 4.5 1.0 O B:HOH547 2.5 5.0 1.0 O B:HOH605 2.5 5.2 1.0 O B:HOH648 2.5 4.9 1.0 OE2 B:GLU215 2.5 4.2 1.0 O B:HOH545 2.6 6.0 1.0 O B:HOH591 2.7 5.4 1.0 CD B:GLU215 3.5 3.7 1.0 OE1 B:GLU215 3.8 4.5 1.0 O B:GLN161 4.2 3.9 1.0 O B:GLY279 4.4 3.9 1.0 O B:PRO104 4.4 4.8 1.0 OG B:SER278 4.6 4.3 1.0 O B:VAL214 4.6 3.8 1.0 O B:HOH564 4.7 6.2 1.0 O B:HOH669 4.7 5.5 1.0 O B:ASP52 4.7 4.2 1.0 O B:ALA103 4.8 4.2 1.0 OD1 B:ASP160 4.8 5.5 1.0 O B:TYR53 4.9 3.8 1.0 CG B:GLU215 4.9 3.5 1.0 OG1 B:THR105 4.9 6.0 1.0

O.V.Moroz, L.F.Sobala, E.Blagova, T.Coyle, W.Peng, K.B.R.Morkeberg Krogh, K.A.Stubbs, K.S.Wilson, G.J.Davies. Structure of A Talaromyces Pinophilus GH62 Arabinofuranosidase in Complex with Aradnj at 1.25 Angstrom Resolution. Acta Crystallogr F Struct V. 74 490 2018BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 30084398
DOI: 10.1107/S2053230X18000250