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Chlorine in PDB 4usu: Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate

Enzymatic activity of Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate

All present enzymatic activity of Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate:
4.6.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate, PDB code: 4usu was solved by S.Kleinboelting, C.Steegborn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.83 / 1.95
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 100.840, 100.840, 96.770, 90.00, 90.00, 120.00
R / Rfree (%) 15.93 / 21.174

Other elements in 4usu:

The structure of Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate (pdb code 4usu). 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 in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate, PDB code: 4usu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4usu

Go back to Chlorine Binding Sites List in 4usu
Chlorine binding site 1 out of 2 in the Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate


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 in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1472

b:32.7
occ:1.00
 O A:HOH2103 3.0 35.1 1.0
NZ A:LYS95 3.1 27.6 1.0
N A:VAL167 3.4 27.9 1.0
CA A:LEU166 3.6 30.6 1.0
CB A:LEU166 3.7 36.3 1.0
CE A:LYS95 3.7 28.2 1.0
CG2 A:VAL167 3.7 28.7 1.0
CD A:LYS95 4.0 31.9 1.0
C A:LEU166 4.0 30.6 1.0
CD2 A:LEU102 4.4 29.3 1.0
CA A:VAL167 4.5 28.4 1.0
CB A:PHE336 4.5 44.0 1.0
CE2 A:PHE165 4.5 29.8 1.0
CB A:VAL167 4.6 27.5 1.0
O A:VAL335 4.6 36.1 1.0
O A:PHE165 4.6 30.1 1.0
O A:VAL167 4.6 30.6 1.0
CA A:PHE336 4.7 39.5 1.0
CB A:LYS95 4.8 26.8 1.0
N A:LEU166 4.9 30.5 1.0
CD2 A:PHE165 5.0 29.9 1.0

Chlorine binding site 2 out of 2 in 4usu

Go back to Chlorine Binding Sites List in 4usu
Chlorine binding site 2 out of 2 in the Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate


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 in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1473

b:45.2
occ:1.00
 O A:HOH2102 2.8 26.8 1.0
N A:VAL335 3.1 30.0 1.0
O A:VAL335 3.6 36.1 1.0
ND1 A:HIS164 3.6 30.4 1.0
NZ A:LYS95 3.6 27.6 1.0
CA A:LYS334 3.8 34.1 1.0
CE A:LYS95 3.9 28.2 1.0
CD A:LYS334 3.9 48.6 1.0
C A:LYS334 3.9 35.0 1.0
CA A:VAL335 4.0 31.2 1.0
O A:PHE165 4.1 30.1 1.0
CB A:VAL335 4.2 31.4 1.0
C A:VAL335 4.3 36.9 1.0
CG2 A:VAL335 4.3 32.5 1.0
O A:HOH2098 4.4 35.9 1.0
CB A:HIS164 4.4 27.1 1.0
CG A:HIS164 4.5 27.5 1.0
CD A:LYS95 4.5 31.9 1.0
O A:HOH2031 4.5 44.0 1.0
CE1 A:HIS164 4.6 29.9 1.0
CB A:LYS334 4.6 40.0 1.0
CG A:LYS334 4.9 53.0 1.0
CE A:LYS334 4.9 56.4 1.0
N A:PHE165 4.9 27.6 1.0
CA A:HIS164 4.9 25.8 1.0
N A:LYS334 4.9 33.3 1.0
O A:ASN333 4.9 41.5 1.0
O A:HOH2136 5.0 55.7 1.0

Reference:

S.Kleinbolting, J.Van Den Heuvel, C.Steegborn. Structural Analysis of Human Soluble Adenylyl Cyclase and Crystal Structures of Its Nucleotide Complexes - Implications For Cyclase Catalysis and Evolution. Febs J. V. 281 4151 2014.
ISSN: ISSN 1742-464X
PubMed: 25040695
DOI: 10.1111/FEBS.12913
Page generated: Fri Jul 26 02:28:34 2024

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