Chlorine in PDB 1yom: Crystal Structure of Src Kinase Domain in Complex with Purvalanol A

All present enzymatic activity of Crystal Structure of Src Kinase Domain in Complex with Purvalanol A:
2.7.1.112;

The structure of Crystal Structure of Src Kinase Domain in Complex with Purvalanol A, PDB code: 1yom was solved by C.B.Breitenlechner, N.A.Kairies, K.Honold, S.Scheiblich, H.Koll, E.Greiter, S.Koch, W.Schaefer, R.Huber, R.A.Engh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 2.90
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	41.698, 63.078, 74.055, 100.61, 88.86, 89.89
R / Rfree (%)	21.7 / 31.3

The binding sites of Chlorine atom in the Crystal Structure of Src Kinase Domain in Complex with Purvalanol A (pdb code 1yom). 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 Src Kinase Domain in Complex with Purvalanol A, PDB code: 1yom:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Src Kinase Domain in Complex with Purvalanol A


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 Src Kinase Domain in Complex with Purvalanol A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:52.8 occ:1.00 CL1 A:P011 0.0 52.8 1.0 C5A A:P011 1.8 49.0 1.0 C6A A:P011 2.7 48.2 1.0 C4A A:P011 2.8 48.8 1.0 O A:HOH582 3.2 22.8 1.0 O A:LEU275 3.9 73.8 1.0 O A:HOH549 3.9 32.6 1.0 CB A:LEU275 4.0 73.4 1.0 C1A A:P011 4.0 46.9 1.0 C3A A:P011 4.0 48.4 1.0 C A:LEU275 4.2 74.1 1.0 CA A:LEU275 4.2 73.6 1.0 CD2 A:LEU275 4.2 73.4 1.0 C2A A:P011 4.5 48.3 1.0 CG A:LEU275 4.6 73.3 1.0 C22 A:P011 4.8 48.2 1.0 OD2 A:ASP350 4.8 35.0 1.0 CA A:GLY346 4.8 38.5 1.0 N1 A:P011 4.9 44.9 1.0 C27 A:P011 4.9 47.1 1.0 N A:GLY276 5.0 75.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Src Kinase Domain in Complex with Purvalanol A


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 Src Kinase Domain in Complex with Purvalanol A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2 b:56.0 occ:1.00 CL1 B:P012 0.0 56.0 1.0 C5A B:P012 1.8 53.6 1.0 C6A B:P012 2.7 52.5 1.0 C4A B:P012 2.7 53.4 1.0 O B:LEU275 3.9 79.5 1.0 C1A B:P012 4.0 51.2 1.0 C3A B:P012 4.0 53.5 1.0 CB B:LEU275 4.2 79.2 1.0 CD2 B:LEU275 4.3 79.0 1.0 C2A B:P012 4.5 52.8 1.0 CA B:LEU275 4.5 79.4 1.0 C B:LEU275 4.6 79.6 1.0 CA B:GLY346 4.8 42.7 1.0 CG B:LEU275 4.9 78.8 1.0 C22 B:P012 4.9 53.1 1.0 N1 B:P012 4.9 48.9 1.0 C27 B:P012 4.9 53.2 1.0

C.B.Breitenlechner, N.A.Kairies, K.Honold, S.Scheiblich, H.Koll, E.Greiter, S.Koch, W.Schaefer, R.Huber, R.A.Engh. Crystal Structures of Active Src Kinase Domain Complexes J.Mol.Biol. V. 353 222 2005.
ISSN: ISSN 0022-2836
PubMed: 16168436
DOI: 10.1016/J.JMB.2005.08.023