Chlorine in PDB 2g2h: A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain

The structure of A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain, PDB code: 2g2h was solved by N.M.Levinson, O.Kuchment, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	104.386, 131.487, 56.499, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 21.3

The binding sites of Chlorine atom in the A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain (pdb code 2g2h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain, PDB code: 2g2h:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl532 b:46.2 occ:1.00 CL28 A:P16532 0.0 46.2 1.0 C27 A:P16532 1.7 27.4 1.0 C26 A:P16532 2.7 28.0 1.0 C22 A:P16532 2.8 24.6 1.0 C17 A:P16532 3.2 18.0 1.0 O A:HOH694 3.2 45.7 1.0 CB A:ALA399 3.2 15.6 1.0 CA A:ALA399 3.4 14.8 1.0 N A:ASP400 3.5 16.7 1.0 C16 A:P16532 3.8 13.7 1.0 C18 A:P16532 3.9 15.2 1.0 C A:ALA399 3.9 15.9 1.0 C25 A:P16532 4.1 24.8 1.0 OD1 A:ASP400 4.1 19.9 1.0 CG2 A:VAL318 4.1 12.0 1.0 C23 A:P16532 4.1 25.0 1.0 O21 A:P16532 4.1 17.3 1.0 CB A:VAL318 4.2 10.6 1.0 CG1 A:VAL318 4.2 15.0 1.0 N A:PHE401 4.3 16.2 1.0 O A:HOH646 4.3 42.2 1.0 CD1 A:LEU389 4.5 12.9 1.0 C24 A:P16532 4.6 24.4 1.0 CA A:ASP400 4.7 16.4 1.0 N A:ALA399 4.8 12.9 1.0 C13 A:P16532 4.8 12.3 1.0 CB A:PHE401 4.8 19.6 1.0 N19 A:P16532 4.9 15.1 1.0 C A:ASP400 4.9 17.4 1.0 O A:HOH533 4.9 8.5 1.0 CG A:ASP400 5.0 19.2 1.0

Chlorine binding site 2 out of 4 in the A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl532 b:29.4 occ:1.00 CL29 A:P16532 0.0 29.4 1.0 C23 A:P16532 1.8 25.0 1.0 C24 A:P16532 2.7 24.4 1.0 C22 A:P16532 2.8 24.6 1.0 C17 A:P16532 3.1 18.0 1.0 N A:LYS290 3.3 12.8 1.0 CB A:LYS290 3.4 14.7 1.0 C A:VAL289 3.6 11.9 1.0 C18 A:P16532 3.7 15.2 1.0 C16 A:P16532 3.7 13.7 1.0 C A:ALA288 3.8 9.4 1.0 N A:VAL289 3.8 9.8 1.0 CA A:LYS290 3.8 13.0 1.0 O A:ALA288 3.9 10.3 1.0 CB A:ALA288 3.9 9.4 1.0 O A:ILE332 3.9 10.8 1.0 CG1 A:VAL275 3.9 13.4 1.0 CA A:VAL289 3.9 12.2 1.0 O21 A:P16532 4.0 17.3 1.0 C25 A:P16532 4.1 24.8 1.0 OG1 A:THR334 4.1 11.0 1.0 C27 A:P16532 4.1 27.4 1.0 O A:VAL289 4.3 12.5 1.0 CG2 A:THR334 4.4 10.2 1.0 CA A:ALA288 4.5 9.2 1.0 CG A:LYS290 4.6 16.2 1.0 C26 A:P16532 4.6 28.0 1.0 N19 A:P16532 4.7 15.1 1.0 C13 A:P16532 4.7 12.3 1.0 CD A:LYS290 4.7 21.0 1.0 CG2 A:VAL275 4.8 16.1 1.0 CB A:THR334 4.9 11.1 1.0 C A:ILE332 4.9 13.0 1.0 CB A:VAL275 5.0 16.5 1.0 N A:THR334 5.0 10.0 1.0

Chlorine binding site 3 out of 4 in the A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl532 b:49.9 occ:1.00 CL28 B:P16532 0.0 49.9 1.0 C27 B:P16532 1.8 38.4 1.0 C26 B:P16532 2.7 38.6 1.0 C22 B:P16532 2.8 35.0 1.0 C17 B:P16532 3.2 28.8 1.0 N B:ASP400 3.3 28.0 1.0 CA B:ALA399 3.5 25.4 1.0 CB B:ALA399 3.5 26.3 1.0 CD2 B:PHE401 3.6 35.2 1.0 CE2 B:PHE401 3.8 34.7 1.0 C16 B:P16532 3.8 26.0 1.0 C18 B:P16532 3.8 26.4 1.0 C B:ALA399 3.9 26.8 1.0 CG2 B:VAL318 3.9 19.8 1.0 C25 B:P16532 4.1 37.9 1.0 O21 B:P16532 4.1 27.5 1.0 CB B:VAL318 4.1 21.3 1.0 C23 B:P16532 4.1 36.5 1.0 N B:PHE401 4.3 28.9 1.0 CG1 B:VAL318 4.3 22.6 1.0 CA B:ASP400 4.4 30.5 1.0 CG B:PHE401 4.6 34.4 1.0 CD1 B:LEU389 4.6 19.3 1.0 CB B:ASP400 4.6 34.5 1.0 C24 B:P16532 4.6 37.1 1.0 N B:ALA399 4.8 22.8 1.0 C13 B:P16532 4.8 23.7 1.0 N19 B:P16532 4.9 23.6 1.0 CZ B:PHE401 4.9 34.5 1.0 C B:ASP400 4.9 29.9 1.0 O B:HOH664 5.0 36.7 1.0

Chlorine binding site 4 out of 4 in the A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl532 b:41.1 occ:1.00 CL29 B:P16532 0.0 41.1 1.0 C23 B:P16532 1.8 36.5 1.0 C24 B:P16532 2.7 37.1 1.0 C22 B:P16532 2.8 35.0 1.0 C17 B:P16532 3.2 28.8 1.0 N B:LYS290 3.4 31.3 1.0 CB B:LYS290 3.4 35.2 1.0 C16 B:P16532 3.7 26.0 1.0 C B:VAL289 3.8 30.5 1.0 C18 B:P16532 3.8 26.4 1.0 CA B:LYS290 3.8 33.2 1.0 O B:ALA288 3.9 27.3 1.0 CG1 B:VAL275 3.9 31.4 1.0 O B:ILE332 3.9 29.4 1.0 C B:ALA288 4.0 27.8 1.0 O21 B:P16532 4.1 27.5 1.0 C25 B:P16532 4.1 37.9 1.0 N B:VAL289 4.1 28.9 1.0 CA B:VAL289 4.1 29.4 1.0 C27 B:P16532 4.1 38.4 1.0 CB B:ALA288 4.2 28.3 1.0 OG1 B:THR334 4.2 23.2 1.0 CG2 B:THR334 4.4 24.2 1.0 O B:VAL289 4.4 29.8 1.0 C26 B:P16532 4.6 38.6 1.0 CG B:LYS290 4.6 37.6 1.0 CG2 B:VAL275 4.6 32.3 1.0 O B:HOH664 4.6 36.7 1.0 CA B:ALA288 4.7 28.3 1.0 C13 B:P16532 4.7 23.7 1.0 N19 B:P16532 4.8 23.6 1.0 CB B:VAL275 4.9 33.0 1.0 CB B:THR334 4.9 23.6 1.0 C B:ILE332 5.0 29.8 1.0

N.M.Levinson, O.Kuchment, K.Shen, M.A.Young, M.Koldobskiy, M.Karplus, P.A.Cole, J.Kuriyan. A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain. Plos Biol. V. 4 753 2006.
ISSN: ISSN 1544-9173
PubMed: 16640460
DOI: 10.1371/JOURNAL.PBIO.0040144