Arsenic in PDB 1l1d: Crystal Structure of the C-Terminal Methionine Sulfoxide Reductase Domain (Msrb) of N. Gonorrhoeae Pilb

All present enzymatic activity of Crystal Structure of the C-Terminal Methionine Sulfoxide Reductase Domain (Msrb) of N. Gonorrhoeae Pilb:
1.8.4.13; 1.8.4.14;

The structure of Crystal Structure of the C-Terminal Methionine Sulfoxide Reductase Domain (Msrb) of N. Gonorrhoeae Pilb, PDB code: 1l1d was solved by W.T.Lowther, H.Weissbach, F.Etienne, N.Brot, B.W.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.20 / 1.85
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.354, 68.078, 62.777, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 23.7

The binding sites of Arsenic atom in the Crystal Structure of the C-Terminal Methionine Sulfoxide Reductase Domain (Msrb) of N. Gonorrhoeae Pilb (pdb code 1l1d). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 3 binding sites of Arsenic where determined in the Crystal Structure of the C-Terminal Methionine Sulfoxide Reductase Domain (Msrb) of N. Gonorrhoeae Pilb, PDB code: 1l1d:
Jump to Arsenic binding site number: 1; 2; 3;

Arsenic binding site 1 out of 3 in the Crystal Structure of the C-Terminal Methionine Sulfoxide Reductase Domain (Msrb) of N. Gonorrhoeae Pilb


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 C-Terminal Methionine Sulfoxide Reductase Domain (Msrb) of N. Gonorrhoeae Pilb within 5.0Å range: probe atom residue distance (Å) B Occ A:As601 b:40.5 occ:1.00 AS A:CAC601 0.0 40.5 1.0 O2 A:CAC601 1.8 40.5 1.0 O1 A:CAC601 1.8 34.7 1.0 C2 A:CAC601 2.0 39.5 1.0 C1 A:CAC601 2.0 39.2 1.0 ND1 A:HIS480 3.7 17.6 1.0 O A:HOH112 3.8 29.7 1.0 O A:HOH1 3.9 11.8 1.0 SG A:CYS495 4.1 16.8 0.5 O A:HOH110 4.2 38.8 1.0 O A:CYS495 4.3 13.6 0.5 O A:CYS495 4.3 13.7 0.5 N A:HIS480 4.5 13.0 1.0 CE1 A:HIS480 4.5 16.9 1.0 CB A:CYS495 4.5 14.1 0.5 CE3 A:TRP442 4.6 12.0 1.0 CD2 A:TRP442 4.6 12.8 1.0 CG A:HIS480 4.6 15.8 1.0 CA A:GLY479 4.7 11.3 1.0 CB A:HIS480 4.7 13.5 1.0 CZ3 A:TRP442 4.7 15.9 1.0 CB A:CYS495 4.7 15.3 0.5 CE2 A:TRP442 4.8 12.5 1.0 C A:GLY479 4.9 13.4 1.0 OG1 A:THR403 4.9 14.7 1.0 CG2 A:THR403 4.9 16.0 1.0 CH2 A:TRP442 4.9 13.4 1.0 CZ2 A:TRP442 4.9 14.3 1.0 O A:HOH111 4.9 21.9 1.0

Arsenic binding site 2 out of 3 in the Crystal Structure of the C-Terminal Methionine Sulfoxide Reductase Domain (Msrb) of N. Gonorrhoeae Pilb


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 the C-Terminal Methionine Sulfoxide Reductase Domain (Msrb) of N. Gonorrhoeae Pilb within 5.0Å range: probe atom residue distance (Å) B Occ B:As602 b:41.4 occ:1.00 AS B:CAC602 0.0 41.4 1.0 O2 B:CAC602 1.8 42.1 1.0 O1 B:CAC602 1.8 41.0 1.0 C2 B:CAC602 2.0 40.9 1.0 C1 B:CAC602 2.0 41.8 1.0 O B:HOH119 4.4 34.9 1.0 NZ B:LYS387 4.4 27.5 1.0

Arsenic binding site 3 out of 3 in the Crystal Structure of the C-Terminal Methionine Sulfoxide Reductase Domain (Msrb) of N. Gonorrhoeae Pilb


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Crystal Structure of the C-Terminal Methionine Sulfoxide Reductase Domain (Msrb) of N. Gonorrhoeae Pilb within 5.0Å range: probe atom residue distance (Å) B Occ B:As603 b:64.4 occ:1.00 AS B:CAC603 0.0 64.4 1.0 O2 B:CAC603 1.8 64.6 1.0 O1 B:CAC603 1.8 63.6 1.0 C2 B:CAC603 2.0 64.0 1.0 C1 B:CAC603 2.0 63.8 1.0 O B:THR403 3.9 15.0 1.0 OE2 B:GLU393 4.0 21.6 1.0 O B:HOH43 4.4 20.5 1.0 O B:HOH34 4.6 24.3 1.0 CD B:GLU393 4.8 21.6 1.0 CB B:ALA402 4.8 11.8 1.0 OE1 B:GLU393 4.9 20.2 1.0 C B:THR403 4.9 14.5 1.0

W.T.Lowther, H.Weissbach, F.Etienne, N.Brot, B.W.Matthews. The Mirrored Methionine Sulfoxide Reductases of Neisseria Gonorrhoeae Pilb. Nat.Struct.Biol. V. 9 348 2002.
ISSN: ISSN 1072-8368
PubMed: 11938352