Chlorine in PDB 1lk0: Disulfide Intermediate of C89L Arsenate Reductase From PI258

All present enzymatic activity of Disulfide Intermediate of C89L Arsenate Reductase From PI258:
1.97.1.5;

The structure of Disulfide Intermediate of C89L Arsenate Reductase From PI258, PDB code: 1lk0 was solved by J.Messens, J.C.Martins, K.Van Belle, E.Brosens, A.Desmyter, M.Degieter, J.M.Wieruszeski, R.Willem, L.Wyns, I.Zegers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.80 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.710, 35.480, 62.980, 90.00, 118.01, 90.00
R / Rfree (%)	20.3 / 23.4

The structure of Disulfide Intermediate of C89L Arsenate Reductase From PI258 also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Chlorine atom in the Disulfide Intermediate of C89L Arsenate Reductase From PI258 (pdb code 1lk0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Disulfide Intermediate of C89L Arsenate Reductase From PI258, PDB code: 1lk0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Disulfide Intermediate of C89L Arsenate Reductase From PI258


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Disulfide Intermediate of C89L Arsenate Reductase From PI258 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl266 b:11.2 occ:1.00 OG A:SER17 2.9 7.7 1.0 N A:CYS15 3.2 12.9 1.0 O A:HOH270 3.2 12.6 1.0 N A:SER14 3.2 10.2 1.0 N A:SER17 3.3 8.2 1.0 SG A:CYS10 3.4 14.9 1.0 N A:ARG16 3.5 9.7 1.0 CB A:CYS10 3.5 10.3 1.0 O A:HOH525 3.6 37.5 1.0 N A:ASN13 3.8 10.9 1.0 CA A:ASN13 3.8 11.1 1.0 CB A:SER17 3.8 8.3 1.0 C A:CYS15 3.9 11.7 1.0 CA A:CYS15 3.9 12.4 1.0 C A:ASN13 4.0 9.7 1.0 OG A:SER14 4.0 13.6 1.0 CA A:SER14 4.1 11.8 1.0 C A:SER14 4.1 13.4 1.0 CA A:SER17 4.1 8.5 1.0 O A:CYS10 4.1 9.4 1.0 CA A:ARG16 4.2 9.5 1.0 C A:ARG16 4.2 7.8 1.0 O A:HOH400 4.3 26.9 1.0 CB A:ARG16 4.4 8.9 1.0 CB A:CYS15 4.4 16.8 0.7 O A:THR11 4.4 12.6 1.0 C A:CYS10 4.5 9.1 1.0 CB A:CYS15 4.5 14.0 0.3 CA A:CYS10 4.6 9.3 1.0 O A:CYS15 4.7 11.1 1.0 CB A:SER14 4.7 12.0 1.0 N A:GLN18 4.7 7.1 1.0 C A:GLY12 4.7 11.9 1.0 C A:SER17 4.9 7.8 1.0

Chlorine binding site 2 out of 2 in the Disulfide Intermediate of C89L Arsenate Reductase From PI258


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Disulfide Intermediate of C89L Arsenate Reductase From PI258 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl265 b:14.0 occ:1.00 OG B:SER17 2.9 10.5 1.0 N B:CYS15 3.1 15.2 1.0 N B:SER14 3.3 13.8 1.0 CB B:CYS10 3.3 13.2 1.0 O B:HOH532 3.4 34.8 1.0 O B:HOH280 3.4 15.0 1.0 N B:SER17 3.4 9.3 1.0 N B:ARG16 3.5 11.1 1.0 SG B:CYS82 3.8 17.0 1.0 CB B:SER17 3.8 7.8 1.0 C B:CYS15 3.8 11.2 1.0 CA B:CYS15 3.9 14.7 1.0 SG B:CYS10 3.9 14.5 1.0 OG B:SER14 4.0 16.6 0.7 C B:SER14 4.1 14.6 1.0 CA B:ASN13 4.1 10.5 1.0 CA B:SER14 4.1 14.8 1.0 C B:ASN13 4.2 10.7 1.0 CA B:SER17 4.2 9.6 1.0 CA B:ARG16 4.2 10.8 1.0 N B:ASN13 4.2 11.4 1.0 C B:ARG16 4.3 10.2 1.0 CB B:CYS15 4.3 17.7 1.0 O B:HOH382 4.4 26.2 1.0 CB B:ARG16 4.4 10.5 1.0 CB B:SER14 4.6 13.7 0.3 O B:CYS15 4.7 10.7 1.0 CB B:SER14 4.7 13.8 0.7 CA B:CYS10 4.7 11.8 1.0 N B:GLN18 4.8 10.1 1.0 O B:CYS10 4.9 11.9 1.0 C B:CYS10 4.9 12.2 1.0 O B:THR11 4.9 19.1 1.0 O B:HOH454 5.0 32.3 1.0

J.Messens, J.C.Martins, K.Van Belle, E.Brosens, A.Desmyter, M.De Gieter, J.M.Wieruszeski, R.Willem, L.Wyns, I.Zegers. All Intermediates of the Arsenate Reductase Mechanism, Including An Intramolecular Dynamic Disulfide Cascade. Proc.Natl.Acad.Sci.Usa V. 99 8506 2002.
ISSN: ISSN 0027-8424
PubMed: 12072565
DOI: 10.1073/PNAS.132142799