Chlorine in PDB 6dwh: Crystal Structure of Complex of Bbki and Bovine Trypsin

All present enzymatic activity of Crystal Structure of Complex of Bbki and Bovine Trypsin:
3.4.21.4;

The structure of Crystal Structure of Complex of Bbki and Bovine Trypsin, PDB code: 6dwh was solved by M.Li, A.Wlodawer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.91 / 2.00
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	207.809, 207.809, 107.167, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 22.3

The structure of Crystal Structure of Complex of Bbki and Bovine Trypsin also contains other interesting chemical elements:

Sodium

(Na)

8 atoms

The binding sites of Chlorine atom in the Crystal Structure of Complex of Bbki and Bovine Trypsin (pdb code 6dwh). 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 Complex of Bbki and Bovine Trypsin, PDB code: 6dwh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Complex of Bbki and Bovine Trypsin


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 Complex of Bbki and Bovine Trypsin within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:55.1 occ:1.00 NZ D:LYS60 3.8 33.9 1.0 CE D:LYS60 4.1 32.7 1.0 N J:VAL3 4.4 29.2 1.0 CB J:VAL3 4.6 27.7 1.0 CG2 J:VAL3 4.7 27.8 1.0 OG J:SER2 4.8 38.0 1.0 OG D:SER61 5.0 33.7 1.0 CG D:LYS60 5.0 31.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Complex of Bbki and Bovine Trypsin


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 Complex of Bbki and Bovine Trypsin within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl301 b:54.3 occ:1.00 NZ F:LYS60 3.2 36.4 1.0 CE F:LYS60 4.0 34.8 1.0 CG2 L:VAL3 4.3 26.8 1.0 N L:VAL3 4.5 27.6 1.0 CB L:VAL3 4.6 26.4 1.0 CG F:LYS60 4.8 32.9 1.0 O F:HOH423 4.9 43.9 1.0

M.Li, J.Srp, A.Gustchina, Z.Dauter, M.Mares, A.Wlodawer. Crystal Structures of the Complex of A Kallikrein Inhibitor From Bauhinia Bauhinioides with Trypsin and Modeling of Kallikrein Complexes. Acta Crystallogr D Struct V. 75 56 2019BIOL.
ISSN: ISSN 2059-7983
PubMed: 30644845
DOI: 10.1107/S2059798318016492