Chlorine in PDB 2bdg: Human Kallikrein 4 Complex with Nickel and P-Aminobenzamidine

The structure of Human Kallikrein 4 Complex with Nickel and P-Aminobenzamidine, PDB code: 2bdg was solved by M.Debela, W.Bode, P.Goettig, Structural Proteomics In Europe (Spine), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.92 / 1.95
Space group	P 4
Cell size a, b, c (Å), α, β, γ (°)	95.680, 95.680, 38.800, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 22.5

The structure of Human Kallikrein 4 Complex with Nickel and P-Aminobenzamidine also contains other interesting chemical elements:

Nickel	(Ni)	4 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Human Kallikrein 4 Complex with Nickel and P-Aminobenzamidine (pdb code 2bdg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Kallikrein 4 Complex with Nickel and P-Aminobenzamidine, PDB code: 2bdg:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Kallikrein 4 Complex with Nickel and P-Aminobenzamidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Kallikrein 4 Complex with Nickel and P-Aminobenzamidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:20.9 occ:1.00 O A:HOH529 3.1 32.0 1.0 N A:SER164 3.1 14.4 1.0 OG A:SER164 3.2 18.2 1.0 CB A:SER164 3.6 13.8 1.0 CG1 A:VAL163 3.7 13.9 1.0 CG2 A:VAL167 3.7 19.2 1.0 CA A:SER164 4.0 12.7 1.0 CB A:VAL167 4.1 19.0 1.0 C A:VAL163 4.1 15.5 1.0 CA A:VAL163 4.1 14.3 1.0 O A:HOH416 4.4 16.4 1.0 CB A:VAL163 4.4 14.4 1.0 CB A:ALA132 4.7 21.3 1.0 CG1 A:VAL167 4.7 18.0 1.0 O A:SER164 4.9 14.1 1.0 C A:SER164 5.0 13.8 1.0

Chlorine binding site 2 out of 2 in the Human Kallikrein 4 Complex with Nickel and P-Aminobenzamidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Kallikrein 4 Complex with Nickel and P-Aminobenzamidine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:22.9 occ:1.00 N B:LEU98 3.2 13.5 1.0 CA B:PRO97 3.8 16.1 1.0 CB B:PRO97 3.9 16.7 1.0 CB B:LEU98 3.9 16.8 1.0 C B:PRO97 4.0 15.1 1.0 CA B:LEU98 4.1 16.7 1.0 O B:ASN95 4.9 19.5 1.0

M.Debela, V.Magdolen, V.Grimminger, C.Sommerhoff, A.Messerschmidt, R.Huber, R.Friedrich, W.Bode, P.Goettig. Crystal Structures of Human Tissue Kallikrein 4: Activity Modulation By A Specific Zinc Binding Site. J.Mol.Biol. V. 362 1094 2006.
ISSN: ISSN 0022-2836
PubMed: 16950394
DOI: 10.1016/J.JMB.2006.08.003