Arsenic in PDB 5xtu: Crystal Structure of Gdsl Esterase of Photobacterium Sp. J15

The structure of Crystal Structure of Gdsl Esterase of Photobacterium Sp. J15, PDB code: 5xtu was solved by S.N.H.S.Mazlan, M.A.Jonet, T.C.Leow, M.S.M.Ali, R.N.Z.R.A.Rahman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.23 / 1.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.182, 66.461, 105.468, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 17.9

The structure of Crystal Structure of Gdsl Esterase of Photobacterium Sp. J15 also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Arsenic atom in the Crystal Structure of Gdsl Esterase of Photobacterium Sp. J15 (pdb code 5xtu). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure of Gdsl Esterase of Photobacterium Sp. J15, PDB code: 5xtu:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Crystal Structure of Gdsl Esterase of Photobacterium Sp. J15


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 Gdsl Esterase of Photobacterium Sp. J15 within 5.0Å range: probe atom residue distance (Å) B Occ A:As403 b:12.6 occ:0.50 AS A:CAC403 0.0 12.6 0.5 O1 A:CAC403 1.7 11.3 0.5 O2 A:CAC403 1.8 15.5 0.5 C1 A:CAC403 2.0 12.7 0.5 C2 A:CAC403 2.0 16.4 0.5 CA A:CA405 2.2 13.9 0.6 O3 A:PO4407 3.5 13.4 1.0 O A:HOH536 3.9 17.6 1.0 O A:HOH515 3.9 22.0 1.0 NE1 A:TRP164 4.1 8.7 1.0 ND2 A:ASN161 4.1 7.4 1.0 OD2 A:ASP115 4.1 12.5 1.0 CE2 A:TRP164 4.2 8.2 1.0 O A:HOH514 4.3 20.0 1.0 NZ A:LYS19 4.4 21.5 1.0 CD1 A:TRP164 4.4 8.2 1.0 CD2 A:TRP164 4.6 7.2 1.0 CG A:TRP164 4.6 6.4 1.0 P A:PO4407 4.6 7.2 1.0 CZ2 A:TRP164 4.6 8.9 1.0 CA A:GLY105 4.7 6.8 1.0 O4 A:PO4407 4.7 12.1 1.0 O A:HOH820 4.8 17.9 1.0 N A:GLY105 4.9 6.2 1.0

Arsenic binding site 2 out of 2 in the Crystal Structure of Gdsl Esterase of Photobacterium Sp. J15


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Gdsl Esterase of Photobacterium Sp. J15 within 5.0Å range: probe atom residue distance (Å) B Occ A:As404 b:25.4 occ:0.50 AS A:CAC404 0.0 25.4 0.5 O A:HOH504 1.1 16.4 1.0 O1 A:CAC404 1.7 23.8 0.5 O2 A:CAC404 1.7 25.3 0.5 C2 A:CAC404 2.0 21.1 0.5 C1 A:CAC404 2.0 26.8 0.5 CD2 A:HIS90 3.8 21.2 1.0 CB A:HIS90 4.5 15.3 1.0 CG A:HIS90 4.5 18.9 1.0 NE2 A:HIS90 4.8 27.1 1.0

S.N.H.S.Mazlan, M.S.M.Ali, R.N.Z.R.A.Rahman, S.Sabri, M.A.Jonet, T.C.Leow. Crystallization and Structure Elucidation of Gdsl Esterase of Photobacterium Sp. J15. Int. J. Biol. Macromol. V. 119 1188 2018.
ISSN: ISSN 1879-0003
PubMed: 30102982
DOI: 10.1016/J.IJBIOMAC.2018.08.022