Arsenic in PDB 6jp4: Crystal Structure of the Catalytic Domain of A Multi-Domain Alginate Lyase DP0100 From Thermophilic Bacterium Defluviitalea Phaphyphila

The structure of Crystal Structure of the Catalytic Domain of A Multi-Domain Alginate Lyase DP0100 From Thermophilic Bacterium Defluviitalea Phaphyphila, PDB code: 6jp4 was solved by S.Q.Ji, S.R.Dix, A.Aziz, S.E.Sedelnikova, F.L.Li, D.W.Rice, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	98.90 / 2.07
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	261.324, 394.812, 112.187, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 24

The structure of Crystal Structure of the Catalytic Domain of A Multi-Domain Alginate Lyase DP0100 From Thermophilic Bacterium Defluviitalea Phaphyphila also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Manganese	(Mn)	3 atoms
Calcium	(Ca)	6 atoms

The binding sites of Arsenic atom in the Crystal Structure of the Catalytic Domain of A Multi-Domain Alginate Lyase DP0100 From Thermophilic Bacterium Defluviitalea Phaphyphila (pdb code 6jp4). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Crystal Structure of the Catalytic Domain of A Multi-Domain Alginate Lyase DP0100 From Thermophilic Bacterium Defluviitalea Phaphyphila, PDB code: 6jp4:

Arsenic binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of A Multi-Domain Alginate Lyase DP0100 From Thermophilic Bacterium Defluviitalea Phaphyphila


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of the Catalytic Domain of A Multi-Domain Alginate Lyase DP0100 From Thermophilic Bacterium Defluviitalea Phaphyphila within 5.0Å range: probe atom residue distance (Å) B Occ A:As812 b:0.7 occ:1.00 AS A:CAC812 0.0 0.7 1.0 O1 A:CAC812 1.7 0.7 1.0 O2 A:CAC812 1.7 0.4 1.0 C1 A:CAC812 2.0 46.9 1.0 C2 A:CAC812 2.0 62.1 1.0 O A:HOH998 3.0 45.2 1.0 OE1 A:GLU572 4.0 66.2 1.0 NE2 A:GLN599 4.1 29.9 1.0 CB A:GLU572 4.3 38.9 1.0 OG1 A:THR604 4.3 31.2 1.0 CB A:ALA601 4.4 31.3 1.0 O A:HOH960 4.4 30.5 1.0 CG A:GLU572 4.5 48.1 1.0 O A:HOH1177 4.5 45.2 1.0 O A:ILE600 4.5 34.5 1.0 O A:HOH1052 4.6 35.6 1.0 CD A:GLU572 4.6 61.4 1.0 O A:HOH1322 4.7 45.4 1.0 CB A:THR604 5.0 28.2 1.0

S.Ji, S.R.Dix, A.A.Aziz, S.E.Sedelnikova, P.J.Baker, J.B.Rafferty, P.A.Bullough, S.B.Tzokov, J.Agirre, F.L.Li, D.W.Rice. The Molecular Basis of Endolytic Activity of A Multidomain Alginate Lyase From Defluviitalea Phaphyphila, A Representative of A New Lyase Family, Plxx. J.Biol.Chem. 2019.
ISSN: ESSN 1083-351X
PubMed: 31624143
DOI: 10.1074/JBC.RA119.010716