Chlorine in PDB 1y4h: Wild Type Staphopain-Staphostatin Complex

The structure of Wild Type Staphopain-Staphostatin Complex, PDB code: 1y4h was solved by R.Filipek, J.Potempa, M.Bochtler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.93
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.948, 77.520, 84.891, 90.00, 108.10, 90.00
R / Rfree (%)	18.8 / 21.7

The binding sites of Chlorine atom in the Wild Type Staphopain-Staphostatin Complex (pdb code 1y4h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Wild Type Staphopain-Staphostatin Complex, PDB code: 1y4h:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Wild Type Staphopain-Staphostatin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Wild Type Staphopain-Staphostatin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl453 b:70.9 occ:1.00 N A:HIS337 3.5 35.5 1.0 CD2 A:HIS337 3.6 40.8 1.0 CB A:HIS337 3.9 37.8 1.0 O A:HOH153 4.0 48.0 1.0 CG A:HIS337 4.0 41.0 1.0 CA A:PRO336 4.1 35.2 1.0 C A:PRO336 4.3 35.8 1.0 CA A:HIS337 4.3 37.1 1.0 NE2 A:HIS337 4.7 41.7 1.0 CB A:PRO336 4.9 35.8 1.0 O A:HIS337 4.9 37.8 1.0 O A:ASP335 5.0 34.3 1.0

Chlorine binding site 2 out of 4 in the Wild Type Staphopain-Staphostatin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Wild Type Staphopain-Staphostatin Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl450 b:51.2 occ:0.53 O C:HOH497 3.7 43.1 1.0 N C:HIS50 3.7 36.8 1.0 ND2 C:ASN8 4.0 34.7 1.0 CA C:SER49 4.0 35.4 1.0 ND1 C:HIS50 4.2 51.5 1.0 CB C:SER49 4.2 35.2 1.0 C C:SER49 4.4 36.0 1.0 OG C:SER49 4.4 34.9 1.0 CB C:HIS50 4.6 38.8 1.0 CA C:HIS50 4.6 37.6 1.0 O C:HIS50 4.7 36.0 1.0 CG C:HIS50 4.8 44.3 1.0

Chlorine binding site 3 out of 4 in the Wild Type Staphopain-Staphostatin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Wild Type Staphopain-Staphostatin Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl452 b:69.1 occ:1.00 O C:HOH480 2.8 44.3 1.0 N C:HIS18 3.3 32.7 1.0 CB C:HIS18 3.9 36.4 1.0 CB C:THR17 3.9 31.3 1.0 CA C:THR17 4.0 31.6 1.0 C C:THR17 4.1 32.5 1.0 CA C:HIS18 4.2 35.1 1.0 CG2 C:THR17 4.7 30.7 1.0 N C:LEU19 4.9 33.6 1.0 OG1 C:THR17 4.9 28.6 1.0

Chlorine binding site 4 out of 4 in the Wild Type Staphopain-Staphostatin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Wild Type Staphopain-Staphostatin Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl451 b:55.9 occ:0.40 N D:HIS50 3.6 43.4 1.0 ND1 D:HIS50 3.8 46.0 1.0 CA D:SER49 4.1 44.3 1.0 CB D:HIS50 4.2 43.2 1.0 ND2 D:ASN8 4.3 33.5 1.0 C D:SER49 4.4 43.7 1.0 CA D:HIS50 4.5 42.9 1.0 CG D:HIS50 4.5 44.2 1.0 CB D:SER49 4.5 44.0 1.0 O D:HIS50 4.7 42.0 1.0 CE1 D:HIS50 4.9 47.0 1.0 OG D:SER49 4.9 43.7 1.0

R.Filipek, J.Potempa, M.Bochtler. A Comparison of Staphostatin B with Standard Mechanism Serine Protease Inhibitors. J.Biol.Chem. V. 280 14669 2005.
ISSN: ISSN 0021-9258
PubMed: 15644332
DOI: 10.1074/JBC.M411792200