Chlorine in PDB 4z05: C. Bescii Family 3 Pectate Lyase Mutant E84A

All present enzymatic activity of C. Bescii Family 3 Pectate Lyase Mutant E84A:
4.2.2.2;

The structure of C. Bescii Family 3 Pectate Lyase Mutant E84A, PDB code: 4z05 was solved by P.M.Alahuhta, V.V.Lunin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	35.270, 145.570, 160.077, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 18.6

The structure of C. Bescii Family 3 Pectate Lyase Mutant E84A also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Chlorine atom in the C. Bescii Family 3 Pectate Lyase Mutant E84A (pdb code 4z05). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the C. Bescii Family 3 Pectate Lyase Mutant E84A, PDB code: 4z05:

Chlorine binding site 1 out of 1 in the C. Bescii Family 3 Pectate Lyase Mutant E84A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of C. Bescii Family 3 Pectate Lyase Mutant E84A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:12.7 occ:1.00 NZ A:LYS90 3.1 16.6 1.0 ND2 A:ASN113 3.2 9.6 1.0 O A:HOH449 3.2 22.9 1.0 CB A:ASN113 3.6 9.4 1.0 CD A:LYS90 3.9 15.3 1.0 CE A:LYS90 3.9 15.2 1.0 CG A:ASN113 3.9 9.3 1.0 CA A:LYS90 4.0 12.8 1.0 CB A:LYS90 4.0 15.5 1.0 O A:LYS90 4.1 17.1 1.0 CG A:LYS90 4.5 17.6 1.0 C A:LYS90 4.5 12.6 1.0 O A:ASN113 4.9 11.4 1.0 CA A:ASN113 4.9 9.1 1.0 O A:VAL89 5.0 10.2 1.0

M.Alahuhta, L.E.Taylor, R.Brunecky, D.W.Sammond, W.Michener, M.W.Adams, M.E.Himmel, Y.J.Bomble, V.Lunin. The Catalytic Mechanism and Unique Low pH Optimum of Caldicellulosiruptor Bescii Family 3 Pectate Lyase. Acta Crystallogr.,Sect.D V. 71 1946 2015.
ISSN: ESSN 1399-0047
PubMed: 26327384
DOI: 10.1107/S1399004715013760