Arsenic in PDB 1n4f: Para-Arsanilate Derivative of Hen Egg-White Lysozyme

All present enzymatic activity of Para-Arsanilate Derivative of Hen Egg-White Lysozyme:
3.2.1.17;

The structure of Para-Arsanilate Derivative of Hen Egg-White Lysozyme, PDB code: 1n4f was solved by P.Retailleau, T.Prange, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.66 / 1.78
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.764, 76.764, 38.252, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 21.3

The structure of Para-Arsanilate Derivative of Hen Egg-White Lysozyme also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Arsenic atom in the Para-Arsanilate Derivative of Hen Egg-White Lysozyme (pdb code 1n4f). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 3 binding sites of Arsenic where determined in the Para-Arsanilate Derivative of Hen Egg-White Lysozyme, PDB code: 1n4f:
Jump to Arsenic binding site number: 1; 2; 3;

Arsenic binding site 1 out of 3 in the Para-Arsanilate Derivative of Hen Egg-White Lysozyme


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Para-Arsanilate Derivative of Hen Egg-White Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:As140 b:33.8 occ:0.92 AS A:ASR140 0.0 33.8 0.9 O3 A:ASR140 1.7 34.9 0.9 O2 A:ASR140 1.7 32.3 0.9 O1 A:ASR140 1.7 35.2 0.9 C1 A:ASR140 1.9 30.1 0.9 C2 A:ASR140 2.9 28.4 0.9 C6 A:ASR140 2.9 28.6 0.9 O A:HOH214 3.8 16.9 1.0 C3 A:ASR140 4.2 26.4 0.9 C5 A:ASR140 4.3 27.6 0.9 OD1 A:ASN44 4.3 32.5 1.0 ND2 A:ASN44 4.5 28.6 1.0 O A:HOH245 4.6 26.0 1.0 C4 A:ASR140 4.8 26.5 0.9 CG A:ASN44 4.8 34.5 1.0

Arsenic binding site 2 out of 3 in the Para-Arsanilate Derivative of Hen Egg-White Lysozyme


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Para-Arsanilate Derivative of Hen Egg-White Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:As141 b:35.2 occ:0.62 AS A:ASR141 0.0 35.2 0.6 O1 A:ASR141 1.7 33.4 0.6 O2 A:ASR141 1.7 35.6 0.6 O3 A:ASR141 1.7 36.1 0.6 C1 A:ASR141 2.0 36.1 0.6 C2 A:ASR141 2.9 36.5 0.6 C6 A:ASR141 2.9 37.2 0.6 OD1 A:ASN65 3.6 25.2 1.0 CA A:GLY67 3.7 16.9 1.0 C A:GLY67 3.8 20.9 1.0 O A:HOH302 3.9 41.8 1.0 N A:GLY67 3.9 16.5 1.0 O A:HOH231 3.9 15.8 1.0 N A:ARG68 4.0 13.5 1.0 OG A:SER72 4.0 45.9 1.0 N A:THR69 4.0 15.1 1.0 O A:HOH287 4.0 29.4 1.0 O A:THR69 4.0 18.8 1.0 O A:GLY67 4.2 21.0 1.0 C3 A:ASR141 4.3 36.6 0.6 C5 A:ASR141 4.3 37.2 0.6 C A:THR69 4.4 23.9 1.0 CG A:ASN65 4.5 35.6 1.0 CA A:ARG68 4.7 14.2 1.0 CA A:THR69 4.8 16.3 1.0 N A:PRO70 4.8 31.1 1.0 C4 A:ASR141 4.8 36.9 0.6 C A:ARG68 4.8 19.2 1.0 ND2 A:ASN65 4.9 33.2 1.0

Arsenic binding site 3 out of 3 in the Para-Arsanilate Derivative of Hen Egg-White Lysozyme


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Para-Arsanilate Derivative of Hen Egg-White Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:As142 b:38.5 occ:0.49 AS A:ASR142 0.0 38.5 0.5 O3 A:ASR142 1.7 40.1 0.5 O1 A:ASR142 1.7 39.9 0.5 O2 A:ASR142 1.7 39.2 0.5 C1 A:ASR142 1.9 38.6 0.5 C2 A:ASR142 2.9 38.6 0.5 C6 A:ASR142 2.9 39.3 0.5 O A:HOH298 3.2 36.1 1.0 OG A:SER24 3.9 18.3 1.0 O A:HOH210 4.2 17.7 1.0 C3 A:ASR142 4.3 38.4 0.5 CB A:SER24 4.3 14.7 1.0 C5 A:ASR142 4.3 38.6 0.5 O A:HOH286 4.4 37.9 1.0 C4 A:ASR142 4.8 38.3 0.5 O A:HOH203 4.9 17.8 1.0 O A:HOH313 4.9 38.9 1.0 CG2 A:VAL120 4.9 21.2 1.0

P.Retailleau, T.Prange. Phasing Power at the K Absorption Edge of Organic Arsenic. Acta Crystallogr.,Sect.D V. 59 887 2003.
ISSN: ISSN 0907-4449
PubMed: 12777806
DOI: 10.1107/S0907444903003512