Chlorine in PDB 4clu: Crystal Structure of Human Soluble Adenylyl Cyclase with Pyrophosphate

All present enzymatic activity of Crystal Structure of Human Soluble Adenylyl Cyclase with Pyrophosphate:
4.6.1.1;

The structure of Crystal Structure of Human Soluble Adenylyl Cyclase with Pyrophosphate, PDB code: 4clu was solved by S.Kleinboelting, M.Weyand, C.Steegborn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	87.21 / 1.90
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	100.700, 100.700, 97.150, 90.00, 90.00, 120.00
R / Rfree (%)	15.989 / 20.5

The structure of Crystal Structure of Human Soluble Adenylyl Cyclase with Pyrophosphate also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human Soluble Adenylyl Cyclase with Pyrophosphate (pdb code 4clu). 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 Human Soluble Adenylyl Cyclase with Pyrophosphate, PDB code: 4clu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Soluble Adenylyl Cyclase with Pyrophosphate


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 Human Soluble Adenylyl Cyclase with Pyrophosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1467 b:24.8 occ:1.00 NZ A:LYS95 3.0 21.6 1.0 O A:HOH2097 3.1 23.9 1.0 N A:VAL167 3.4 22.1 1.0 CE A:LYS95 3.6 22.6 1.0 CH3 A:ACT1476 3.6 48.9 1.0 CA A:LEU166 3.7 24.4 1.0 CG2 A:VAL167 3.8 22.8 1.0 CD A:LYS95 3.9 25.5 1.0 C A:LEU166 4.1 23.6 1.0 CD2 A:LEU166 4.1 46.2 1.0 CB A:PHE336 4.3 35.9 1.0 CD2 A:LEU102 4.4 24.2 1.0 O A:VAL335 4.5 29.3 1.0 CA A:VAL167 4.5 23.1 1.0 CB A:LEU166 4.5 32.1 1.0 O A:VAL167 4.5 24.0 1.0 O A:PHE165 4.6 19.9 1.0 O A:HOH2102 4.6 34.1 1.0 CB A:VAL167 4.6 22.2 1.0 CA A:PHE336 4.6 32.0 1.0 CE2 A:PHE165 4.7 24.3 1.0 N A:LEU166 4.8 21.5 1.0 CG A:LEU166 4.9 38.1 1.0 CB A:LYS95 5.0 21.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Soluble Adenylyl Cyclase with Pyrophosphate


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 Human Soluble Adenylyl Cyclase with Pyrophosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1468 b:33.4 occ:1.00 N A:VAL335 3.1 23.6 1.0 O A:HOH2096 3.2 24.1 1.0 NZ A:LYS95 3.4 21.6 1.0 CE A:LYS95 3.4 22.6 1.0 O A:VAL335 3.5 29.3 1.0 CA A:LYS334 3.6 24.6 1.0 C A:LYS334 3.8 25.0 1.0 CD A:LYS334 3.9 30.8 1.0 CD A:LYS95 3.9 25.5 1.0 CA A:VAL335 4.0 25.1 1.0 C A:VAL335 4.2 31.2 1.0 CB A:VAL335 4.3 27.1 1.0 CB A:LYS334 4.3 29.9 1.0 O A:PHE165 4.3 19.9 1.0 O A:HOH2031 4.5 32.5 1.0 CG2 A:VAL335 4.5 27.1 1.0 CG A:LYS334 4.6 33.5 1.0 ND1 A:HIS164 4.7 23.0 1.0 O A:ASN333 4.7 26.4 1.0 CG A:LYS95 4.7 25.7 1.0 N A:LYS334 4.7 22.1 1.0 O A:HOH2093 4.9 34.4 1.0 CE A:LYS334 5.0 31.4 1.0

S.Kleinboelting, A.Diaz, S.Moniot, J.Van Den Heuvel, M.Weyand, L.R.Levin, J.Buck, C.Steegborn. Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of Its Activation Through Bicarbonate. Proc.Natl.Acad.Sci.Usa V. 111 3727 2014.
ISSN: ISSN 0027-8424
PubMed: 24567411
DOI: 10.1073/PNAS.1322778111