Chlorine in PDB 7jod: Crytsal Structure of Bbki Complexed with Human Kallikrein 4

The structure of Crytsal Structure of Bbki Complexed with Human Kallikrein 4, PDB code: 7jod was solved by M.Li, A.Wlodawer, A.Gustchina, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.00 / 1.33
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.185, 104.185, 87.013, 90, 90, 120
R / Rfree (%)	11.4 / 13.3

The structure of Crytsal Structure of Bbki Complexed with Human Kallikrein 4 also contains other interesting chemical elements:

Cadmium

(Cd)

2 atoms

The binding sites of Chlorine atom in the Crytsal Structure of Bbki Complexed with Human Kallikrein 4 (pdb code 7jod). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crytsal Structure of Bbki Complexed with Human Kallikrein 4, PDB code: 7jod:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crytsal Structure of Bbki Complexed with Human Kallikrein 4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crytsal Structure of Bbki Complexed with Human Kallikrein 4 within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl802 b:53.0 occ:1.00 O I:HOH941 1.8 44.6 1.0 O I:HOH1146 1.9 57.6 1.0 O I:HOH1068 2.9 41.2 1.0 NH1 I:ARG160 3.1 46.2 1.0 NE I:ARG160 3.7 29.7 1.0 CB I:THR7 3.8 14.7 1.0 OG1 I:THR7 3.8 16.8 1.0 CZ I:ARG160 3.9 32.2 1.0 CG2 I:THR7 3.9 16.3 1.0 NZ I:LYS158 4.2 31.2 1.0 O I:HOH1025 4.2 54.3 1.0 CE I:LYS158 4.3 24.0 1.0 CD I:ARG160 4.9 19.8 1.0 CD I:LYS158 4.9 22.1 1.0 O I:HOH1049 4.9 52.9 1.0 O I:HOH1131 4.9 36.4 1.0

Chlorine binding site 2 out of 2 in the Crytsal Structure of Bbki Complexed with Human Kallikrein 4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crytsal Structure of Bbki Complexed with Human Kallikrein 4 within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl803 b:50.6 occ:1.00 O I:HOH1079 1.3 104.1 1.0 O I:HOH1160 1.8 41.6 1.0 O I:HOH1147 2.3 78.3 1.0 O I:HOH1056 3.6 35.0 1.0 OD1 I:ASN38 3.9 66.6 1.0 CG I:ASN38 4.9 43.6 1.0 O I:HOH1001 5.0 63.6 1.0

M.Li, J.Srp, M.Mares, A.Gustchina, A.Wlodawer. Structural Studies of the Complexes Kallikrein 4 with Wild-Type and Mutated Forms of Ht Ekuniz-Type Inhibitor Bbki To Be Published.