Chlorine in PDB 5d0e: Crystal Structure of An Adenylyl Cyclase MA1120-Cat in Complex with Gtp and Calcium From Mycobacterium Avium

The structure of Crystal Structure of An Adenylyl Cyclase MA1120-Cat in Complex with Gtp and Calcium From Mycobacterium Avium, PDB code: 5d0e was solved by N.G.Bharambe, D.V.Barathy, K.Suguna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.10 / 1.48
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.590, 55.710, 55.270, 90.00, 109.74, 90.00
R / Rfree (%)	18.9 / 22.5

The structure of Crystal Structure of An Adenylyl Cyclase MA1120-Cat in Complex with Gtp and Calcium From Mycobacterium Avium also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of An Adenylyl Cyclase MA1120-Cat in Complex with Gtp and Calcium From Mycobacterium Avium (pdb code 5d0e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of An Adenylyl Cyclase MA1120-Cat in Complex with Gtp and Calcium From Mycobacterium Avium, PDB code: 5d0e:

Chlorine binding site 1 out of 1 in the Crystal Structure of An Adenylyl Cyclase MA1120-Cat in Complex with Gtp and Calcium From Mycobacterium Avium


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 An Adenylyl Cyclase MA1120-Cat in Complex with Gtp and Calcium From Mycobacterium Avium within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:31.4 occ:1.00 HE B:ARG220 2.3 37.5 1.0 HE21 B:GLN224 2.5 36.1 1.0 H B:LYS257 2.5 26.6 1.0 HH21 B:ARG220 2.6 24.5 1.0 HA B:LEU256 2.9 25.3 1.0 HB3 B:ARG220 3.1 22.0 1.0 NE B:ARG220 3.1 37.5 1.0 NE2 B:GLN224 3.3 36.1 1.0 NH2 B:ARG220 3.3 24.5 1.0 N B:LYS257 3.4 26.6 1.0 HD23 B:LEU256 3.4 26.1 1.0 HD22 B:LEU256 3.5 26.1 1.0 HE22 B:GLN224 3.6 36.1 1.0 HB2 B:LYS257 3.6 27.4 1.0 CZ B:ARG220 3.6 34.7 1.0 HG2 B:GLN224 3.7 26.3 1.0 O B:HOH420 3.7 50.2 1.0 CA B:LEU256 3.7 25.3 1.0 CD2 B:LEU256 3.9 26.1 1.0 HB3 B:LYS257 3.9 27.4 1.0 HG3 B:ARG220 3.9 23.1 1.0 CB B:ARG220 4.0 22.0 1.0 HB3 B:LEU256 4.0 23.8 1.0 HH22 B:ARG220 4.0 24.5 1.0 C B:LEU256 4.1 23.8 1.0 CB B:LYS257 4.1 27.4 1.0 O B:GLU255 4.1 34.4 1.0 CD B:ARG220 4.2 36.9 1.0 CG B:ARG220 4.2 23.1 1.0 CD B:GLN224 4.2 34.7 1.0 HA B:ARG220 4.3 21.9 1.0 HB3 B:ALA223 4.3 20.3 1.0 O B:ARG220 4.3 21.8 1.0 CB B:LEU256 4.3 23.8 1.0 CA B:LYS257 4.4 24.2 1.0 CG B:GLN224 4.4 26.3 1.0 CA B:ARG220 4.6 21.9 1.0 HG3 B:GLN224 4.6 26.3 1.0 HD21 B:LEU256 4.6 26.1 1.0 HB2 B:ARG220 4.6 22.0 1.0 HD3 B:ARG220 4.7 36.9 1.0 CG B:LEU256 4.8 23.6 1.0 N B:LEU256 4.8 24.8 1.0 C B:ARG220 4.8 22.4 1.0 HD2 B:ARG220 4.9 36.9 1.0 HA B:LYS257 4.9 24.2 1.0 C B:GLU255 4.9 24.8 1.0 NH1 B:ARG220 5.0 28.1 1.0

N.G.Bharambe, D.V.Barathy, W.Syed, S.S.Visweswariah, M.Cola Sigmaf O, S.Misquith, K.Suguna. Substrate Specificity Determinants of Class III Nucleotidyl Cyclases Febs J. V. 283 3723 2016.
ISSN: ISSN 1742-464X
PubMed: 27542992
DOI: 10.1111/FEBS.13837