Chlorine in PDB 3auk: Crystal Structure of A Lipase From Geobacillus Sp. Sbs-4S

All present enzymatic activity of Crystal Structure of A Lipase From Geobacillus Sp. Sbs-4S:
3.1.1.3;

The structure of Crystal Structure of A Lipase From Geobacillus Sp. Sbs-4S, PDB code: 3auk was solved by C.Angkawidjaja, M.Tayyab, N.Rashid, S.Kanaya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.15 / 1.66
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.131, 71.745, 126.262, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 19

The structure of Crystal Structure of A Lipase From Geobacillus Sp. Sbs-4S also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of A Lipase From Geobacillus Sp. Sbs-4S (pdb code 3auk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Lipase From Geobacillus Sp. Sbs-4S, PDB code: 3auk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Lipase From Geobacillus Sp. Sbs-4S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Lipase From Geobacillus Sp. Sbs-4S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl392 b:30.0 occ:1.00 O A:HOH880 3.0 39.0 1.0 OG A:SER248 3.1 23.8 1.0 N A:SER248 3.3 15.3 1.0 O A:HOH557 3.4 57.0 1.0 CB A:SER248 3.5 18.7 1.0 OD1 A:ASN173 3.7 25.9 1.0 O A:HOH811 3.8 42.8 1.0 CB A:SER246 3.8 13.9 1.0 N A:VAL247 3.8 12.5 1.0 O A:HOH715 3.9 17.6 1.0 CA A:SER248 4.0 14.3 1.0 OG A:SER246 4.0 14.9 1.0 CD1 A:LEU308 4.1 39.8 1.0 C A:VAL247 4.3 15.8 1.0 CB A:VAL247 4.3 16.4 1.0 CA A:VAL247 4.3 13.1 1.0 C A:SER246 4.5 12.3 1.0 CG A:ASN173 4.5 16.1 1.0 ND2 A:ASN173 4.6 14.3 1.0 CD2 A:LEU308 4.6 38.3 1.0 CA A:SER246 4.6 11.7 1.0 O A:HOH924 4.7 35.7 1.0 O A:HOH483 5.0 52.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Lipase From Geobacillus Sp. Sbs-4S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Lipase From Geobacillus Sp. Sbs-4S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl393 b:30.0 occ:1.00 O A:HOH866 2.9 33.6 1.0 O A:HOH925 3.0 34.3 1.0 N A:ASN368 3.1 16.4 1.0 O A:HOH950 3.3 42.5 1.0 CD A:ARG35 3.4 22.5 1.0 CB A:PRO367 3.4 20.2 1.0 NE A:ARG35 3.4 19.7 1.0 N A:PRO369 3.6 20.5 1.0 CZ A:ARG35 3.6 17.6 1.0 CA A:PRO367 3.7 16.3 1.0 CA A:PRO369 3.7 23.6 1.0 C A:ASN368 3.7 17.4 1.0 CD A:PRO369 3.7 23.1 1.0 C A:PRO367 3.8 14.1 1.0 NH1 A:ARG35 3.9 16.4 1.0 CA A:ASN368 4.0 16.3 1.0 O A:ASN368 4.0 15.6 1.0 CB A:PRO369 4.0 25.7 1.0 NH2 A:ARG35 4.2 18.2 1.0 CG A:PRO369 4.4 22.5 1.0 O A:HOH929 4.6 41.7 1.0 O A:HOH869 4.8 33.7 1.0 CG A:ARG35 4.8 19.5 1.0 CG A:PRO367 4.9 17.0 1.0 O A:HOH439 4.9 47.4 1.0 O A:HOH453 4.9 46.7 1.0 O A:PRO367 5.0 15.4 1.0

M.Tayyab, C.Angkawidjaja, S.Kanaya, N.Rashid. Crystal Structure of A Lipase From Geobacillus Sp. Sbs-4S To Be Published.