Chlorine in PDB 4rhw: Crystal Structure of Apaf-1 Card and Caspase-9 Card Complex

All present enzymatic activity of Crystal Structure of Apaf-1 Card and Caspase-9 Card Complex:
3.4.22.62;

The structure of Crystal Structure of Apaf-1 Card and Caspase-9 Card Complex, PDB code: 4rhw was solved by Q.Hu, D.Wu, C.Yan, Y.Shi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.77 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.531, 92.520, 68.031, 90.00, 109.12, 90.00
R / Rfree (%)	21 / 22.6

The binding sites of Chlorine atom in the Crystal Structure of Apaf-1 Card and Caspase-9 Card Complex (pdb code 4rhw). 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 Apaf-1 Card and Caspase-9 Card Complex, PDB code: 4rhw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Apaf-1 Card and Caspase-9 Card Complex


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 Apaf-1 Card and Caspase-9 Card Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl103 b:52.0 occ:1.00 OE1 A:GLN50 3.9 53.2 1.0 OG B:SER38 3.9 40.4 1.0 N B:SER38 3.9 16.9 1.0 O E:HOH241 4.0 46.0 1.0 CB B:THR36 4.0 24.3 1.0 N B:ILE37 4.1 20.9 1.0 CB B:ILE37 4.3 24.1 1.0 CB B:SER38 4.3 21.2 1.0 NH2 E:ARG10 4.5 55.5 1.0 OG1 B:THR36 4.5 20.9 1.0 CA B:ILE37 4.6 19.5 1.0 NH1 E:ARG10 4.6 54.0 1.0 C B:ILE37 4.7 23.8 1.0 CG2 B:THR36 4.7 26.7 1.0 CA B:SER38 4.8 15.7 1.0 CD A:GLN50 4.8 48.1 1.0 CZ E:ARG10 4.8 47.2 1.0 C B:THR36 4.9 22.4 1.0 CA B:THR36 4.9 25.3 1.0 NE2 A:GLN50 5.0 41.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Apaf-1 Card and Caspase-9 Card Complex


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 Apaf-1 Card and Caspase-9 Card Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl102 b:52.1 occ:1.00 OG D:SER38 3.6 34.5 1.0 N D:SER38 3.7 18.8 1.0 CB D:SER38 3.9 24.1 1.0 CB D:THR36 3.9 30.2 1.0 N D:ILE37 4.0 23.3 1.0 OG1 D:THR36 4.2 22.3 1.0 CB D:ILE37 4.4 26.7 1.0 NH2 F:ARG10 4.4 55.7 1.0 CA D:SER38 4.4 21.1 1.0 O D:HOH230 4.5 49.6 1.0 CA D:ILE37 4.6 18.4 1.0 C D:ILE37 4.6 22.2 1.0 C D:THR36 4.7 21.2 1.0 CG2 D:THR36 4.8 30.1 1.0 CA D:THR36 4.8 23.0 1.0 NH1 F:ARG10 4.9 43.0 1.0

Q.Hu, D.Wu, W.Chen, Z.Yan, C.Yan, T.He, Q.Liang, Y.Shi. Molecular Determinants of Caspase-9 Activation By the Apaf-1 Apoptosome Proc.Natl.Acad.Sci.Usa 2014.
ISSN: ESSN 1091-6490