Chlorine in PDB 4yhd: Staphylococcal Alpha-Hemolysin H35A Mutant Monomer

The structure of Staphylococcal Alpha-Hemolysin H35A Mutant Monomer, PDB code: 4yhd was solved by T.Sugawara, K.Kato, Y.Tanaka, M.Yao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.39 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.930, 128.910, 135.280, 90.00, 91.57, 90.00
R / Rfree (%)	21.5 / 26.3

The binding sites of Chlorine atom in the Staphylococcal Alpha-Hemolysin H35A Mutant Monomer (pdb code 4yhd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Staphylococcal Alpha-Hemolysin H35A Mutant Monomer, PDB code: 4yhd:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Staphylococcal Alpha-Hemolysin H35A Mutant Monomer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Staphylococcal Alpha-Hemolysin H35A Mutant Monomer within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:33.2 occ:1.00 HD22 A:ASN188 3.1 39.6 1.0 HZ1 E:LYS37 3.5 75.4 1.0 HE1 A:TYR182 3.7 39.7 1.0 HE22 A:GLN194 3.8 58.7 1.0 HZ2 E:LYS37 3.8 75.4 1.0 ND2 A:ASN188 3.9 33.0 1.0 HB2 A:ASN188 4.1 38.8 1.0 NZ E:LYS37 4.1 62.8 1.0 OH A:TYR182 4.2 43.3 1.0 NE2 A:GLN194 4.2 48.9 1.0 HD21 A:ASN188 4.2 39.6 1.0 HE21 A:GLN194 4.2 58.7 1.0 CE1 A:TYR182 4.6 33.1 1.0 HZ3 E:LYS37 4.6 75.4 1.0 HH21 A:ARG200 4.7 74.5 1.0 HH22 A:ARG200 4.8 74.5 1.0 HH A:TYR182 4.9 51.9 1.0 CG A:ASN188 4.9 37.1 1.0 CB A:ASN188 4.9 32.4 1.0 CZ A:TYR182 4.9 35.7 1.0

Chlorine binding site 2 out of 5 in the Staphylococcal Alpha-Hemolysin H35A Mutant Monomer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Staphylococcal Alpha-Hemolysin H35A Mutant Monomer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:31.7 occ:1.00 HD22 B:ASN188 3.3 35.8 1.0 HE22 B:GLN194 3.4 34.6 1.0 HE1 B:TYR182 3.6 39.5 1.0 HB2 B:ASN188 3.9 34.4 1.0 ND2 B:ASN188 4.1 29.9 1.0 HZ3 G:LYS37 4.1 39.7 1.0 NE2 B:GLN194 4.1 28.8 1.0 HZ2 G:LYS37 4.2 39.7 1.0 HE21 B:GLN194 4.2 34.6 1.0 OH B:TYR182 4.3 46.0 1.0 HE3 G:LYS37 4.3 31.7 1.0 CE1 B:TYR182 4.4 32.9 1.0 HD21 B:ASN188 4.5 35.8 1.0 NZ G:LYS37 4.5 33.1 1.0 CB B:ASN188 4.8 28.7 1.0 CZ B:TYR182 4.8 31.9 1.0 CG B:ASN188 5.0 28.5 1.0 HH B:TYR182 5.0 55.2 1.0 CE G:LYS37 5.0 26.4 1.0

Chlorine binding site 3 out of 5 in the Staphylococcal Alpha-Hemolysin H35A Mutant Monomer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Staphylococcal Alpha-Hemolysin H35A Mutant Monomer within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:32.1 occ:1.00 HD21 D:ASN188 3.4 40.3 1.0 HE1 D:TYR182 3.7 40.4 1.0 HH D:TYR182 3.7 55.9 1.0 HB2 D:ASN188 3.8 33.6 1.0 HE21 D:GLN194 3.9 43.1 1.0 ND2 D:ASN188 4.1 33.6 1.0 HE22 D:GLN194 4.3 43.1 1.0 NE2 D:GLN194 4.4 36.0 1.0 HD22 D:ASN188 4.5 40.3 1.0 OH D:TYR182 4.5 46.5 1.0 CE1 D:TYR182 4.5 33.7 1.0 CB D:ASN188 4.7 28.0 1.0 CG D:ASN188 4.8 30.0 1.0

Chlorine binding site 4 out of 5 in the Staphylococcal Alpha-Hemolysin H35A Mutant Monomer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Staphylococcal Alpha-Hemolysin H35A Mutant Monomer within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl401 b:41.6 occ:1.00 HD21 E:ASN188 1.8 83.9 1.0 ND2 E:ASN188 2.7 70.0 1.0 HD22 E:ASN188 3.2 83.9 1.0 HE1 E:TYR182 3.4 55.1 1.0 HH E:TYR182 3.4 60.2 1.0 OD1 E:ASN188 3.4 70.0 1.0 CG E:ASN188 3.5 60.6 1.0 OE1 E:GLN194 4.2 58.1 1.0 OH E:TYR182 4.2 50.1 1.0 CE1 E:TYR182 4.2 45.9 1.0 CZ E:TYR182 4.7 52.2 1.0 CB E:ASN188 4.9 38.7 1.0

Chlorine binding site 5 out of 5 in the Staphylococcal Alpha-Hemolysin H35A Mutant Monomer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Staphylococcal Alpha-Hemolysin H35A Mutant Monomer within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl401 b:33.0 occ:1.00 HD22 G:ASN188 3.0 45.9 1.0 HE22 G:GLN194 3.6 58.0 1.0 HE21 G:GLN194 3.8 58.0 1.0 ND2 G:ASN188 3.8 38.2 1.0 HH G:TYR182 3.8 40.9 1.0 HE1 G:TYR182 3.8 38.1 1.0 NE2 G:GLN194 4.0 48.4 1.0 HB2 G:ASN188 4.0 38.1 1.0 HD21 G:ASN188 4.1 45.9 1.0 OH G:TYR182 4.6 34.1 1.0 CE1 G:TYR182 4.7 31.7 1.0 CG G:ASN188 4.8 44.2 1.0 HH22 G:ARG200 4.8 81.1 1.0 CB G:ASN188 4.8 31.8 1.0

T.Sugawara, D.Yamashita, K.Kato, Z.Peng, J.Ueda, J.Kaneko, Y.Kamio, Y.Tanaka, M.Yao. Structural Basis For Pore-Forming Mechanism of Staphylococcal Alpha-Hemolysin Toxicon V. 108 226 2015.
ISSN: ISSN 1879-3150
PubMed: 26428390
DOI: 10.1016/J.TOXICON.2015.09.033