Arsenic in PDB 1gq8: Pectin Methylesterase From Carrot

All present enzymatic activity of Pectin Methylesterase From Carrot:
3.1.1.11;

The structure of Pectin Methylesterase From Carrot, PDB code: 1gq8 was solved by K.Johansson, M.El-Ahmad, R.Friemann, H.Jornvall, O.Markovic, H.Eklund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.26 / 1.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.690, 89.410, 49.500, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 19.3

The binding sites of Arsenic atom in the Pectin Methylesterase From Carrot (pdb code 1gq8). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Pectin Methylesterase From Carrot, PDB code: 1gq8:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Pectin Methylesterase From Carrot


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Pectin Methylesterase From Carrot within 5.0Å range: probe atom residue distance (Å) B Occ A:As501 b:4.3 occ:1.00 AS A:CAC501 0.0 4.3 1.0 O2 A:CAC501 1.6 14.4 1.0 O1 A:CAC501 1.6 14.0 1.0 C1 A:CAC501 1.9 12.0 1.0 C2 A:CAC501 1.9 14.9 1.0 OD2 A:ASP157 3.9 7.9 1.0 O A:HOH2345 3.9 21.2 1.0 OD2 A:ASP136 4.0 8.1 1.0 OD1 A:ASP136 4.0 9.0 1.0 CG A:ASP136 4.4 8.8 1.0 CG A:ASP157 4.7 7.5 1.0 NE2 A:GLN113 4.8 15.4 1.0 CE2 A:TRP227 4.8 13.4 1.0 CB A:ASP157 4.8 5.9 1.0 CZ2 A:TRP227 4.9 14.2 1.0 NE2 A:GLN135 4.9 12.3 1.0 NE1 A:TRP227 5.0 12.6 1.0 CG A:GLN113 5.0 11.0 1.0 CD1 A:PHE160 5.0 7.5 1.0

Arsenic binding site 2 out of 2 in the Pectin Methylesterase From Carrot


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Pectin Methylesterase From Carrot within 5.0Å range: probe atom residue distance (Å) B Occ A:As502 b:24.6 occ:1.00 AS A:CAC502 0.0 24.6 1.0 O1 A:CAC502 1.6 28.9 1.0 O2 A:CAC502 1.6 29.1 1.0 C1 A:CAC502 1.9 27.1 1.0 C2 A:CAC502 1.9 27.8 1.0 O A:HOH2080 3.8 29.6 1.0

K.Johansson, M.El-Ahmad, R.Friemann, H.Jornvall, O.Markovic, H.Eklund. Crystal Structure of Plant Pectin Methylesterase Febs Lett. V. 514 243 2002.
ISSN: ISSN 0014-5793
PubMed: 11943159
DOI: 10.1016/S0014-5793(02)02372-4