Chlorine in PDB 4aru: Hafnia Alvei Phytase in Complex with Tartrate

All present enzymatic activity of Hafnia Alvei Phytase in Complex with Tartrate:
3.1.3.26;

The structure of Hafnia Alvei Phytase in Complex with Tartrate, PDB code: 4aru was solved by A.Ariza, O.V.Moroz, E.B.Blagova, J.P.Turkenburg, J.Vevodova, S.Roberts, J.Vind, C.Sjoholm, S.F.Lassen, L.De Maria, V.Glitsoe, L.K.Skov, K.S.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.80 / 1.45
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	101.055, 101.399, 84.946, 90.00, 90.00, 90.00
R / Rfree (%)	16.17 / 18.865

The structure of Hafnia Alvei Phytase in Complex with Tartrate also contains other interesting chemical elements:

Potassium	(K)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Hafnia Alvei Phytase in Complex with Tartrate (pdb code 4aru). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Hafnia Alvei Phytase in Complex with Tartrate, PDB code: 4aru:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Hafnia Alvei Phytase in Complex with Tartrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hafnia Alvei Phytase in Complex with Tartrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1418 b:16.9 occ:1.00 O A:HOH2051 2.8 17.7 1.0 O A:HOH2065 2.9 26.5 1.0 O A:HOH2063 3.1 34.1 1.0 NE2 A:GLN230 3.1 8.7 1.0 N A:ARG52 3.2 7.7 1.0 CD A:PRO51 3.5 8.3 1.0 CB A:ARG52 3.6 8.2 1.0 N A:PRO51 3.7 7.8 1.0 CB A:THR50 3.7 7.4 1.0 O A:HOH2214 3.8 30.0 1.0 CB A:PRO51 3.9 8.7 1.0 CA A:ARG52 4.0 7.7 1.0 OG1 A:THR50 4.0 7.0 1.0 CG A:PRO51 4.0 8.8 1.0 C A:PRO51 4.1 7.8 1.0 CA A:PRO51 4.1 7.9 1.0 CD A:GLN230 4.1 8.0 1.0 CG A:PRO43 4.3 12.0 1.0 OE1 A:GLN230 4.3 7.9 1.0 C A:THR50 4.4 7.3 1.0 CA A:THR50 4.6 7.4 1.0 CG2 A:THR50 4.6 7.4 1.0 O A:HOH2062 4.8 38.1 1.0 O A:HOH2148 4.9 34.8 1.0 O A:HOH2446 4.9 19.4 1.0 CG A:ARG52 5.0 8.4 1.0

Chlorine binding site 2 out of 2 in the Hafnia Alvei Phytase in Complex with Tartrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hafnia Alvei Phytase in Complex with Tartrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1419 b:25.2 occ:1.00 O A:HOH2057 2.9 23.2 1.0 O A:HOH2134 3.0 35.3 1.0 N A:LYS45 3.1 12.8 1.0 CA A:VAL44 3.5 11.8 1.0 CD2 A:TYR48 3.6 11.6 1.0 CB A:VAL44 3.7 11.3 1.0 C A:VAL44 3.8 11.7 1.0 CB A:LYS45 3.8 15.1 1.0 O A:HOH2111 3.9 34.8 1.0 CE2 A:TYR48 4.0 12.5 1.0 CA A:LYS45 4.1 13.6 1.0 CG1 A:VAL44 4.1 11.6 1.0 CG A:TYR48 4.6 10.6 1.0 N A:VAL44 4.8 11.6 1.0 O A:PRO43 4.8 13.7 1.0 O A:HOH2058 4.9 24.9 1.0 O A:HOH2143 4.9 28.1 0.0 CB A:TYR48 5.0 9.9 1.0 O A:VAL44 5.0 11.2 1.0 CG2 A:VAL44 5.0 10.4 1.0

A.Ariza, O.V.Moroz, E.V.Blagova, J.P.Turkenburg, J.Waterman, S.M.Roberts, J.Vind, C.Sjoholm, S.F.Lassen, L.De Maria, V.Glitsoe, L.K.Skov, K.S.Wilson. Degradation of Phytate By the 6-Phytase From Hafnia Alvei: A Combined Structural and Solution Study. Plos One V. 8 65062 2013.
ISSN: ISSN 1932-6203
PubMed: 23741456
DOI: 10.1371/JOURNAL.PONE.0065062