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Calcium in PDB 5iv3: Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate and the Allosteric Inhibitor LRE1

Enzymatic activity of Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate and the Allosteric Inhibitor LRE1

All present enzymatic activity of Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate and the Allosteric Inhibitor LRE1:
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 and the Allosteric Inhibitor LRE1, PDB code: 5iv3 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) 44.61 / 1.86
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 100.032, 100.032, 98.658, 90.00, 90.00, 120.00
R / Rfree (%) 17.6 / 22.3

Other elements in 5iv3:

The structure of Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate and the Allosteric Inhibitor LRE1 also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate and the Allosteric Inhibitor LRE1 (pdb code 5iv3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate and the Allosteric Inhibitor LRE1, PDB code: 5iv3:

Calcium binding site 1 out of 1 in 5iv3

Go back to Calcium Binding Sites List in 5iv3
Calcium binding site 1 out of 1 in the Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate and the Allosteric Inhibitor LRE1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Human Soluble Adenylyl Cyclase in Complex with Alpha,Beta-Methyleneadenosine-5'-Triphosphate and the Allosteric Inhibitor LRE1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca508

b:50.5
occ:1.00
 OD1 A:ASP47 2.3 29.6 1.0
OD1 A:ASP99 2.3 28.2 1.0
O A:HOH790 2.4 43.0 1.0
O A:ILE48 2.5 40.9 1.0
O1B A:APC507 2.5 39.8 1.0
O2G A:APC507 2.6 37.6 1.0
CG A:ASP99 3.2 25.7 1.0
CG A:ASP47 3.2 34.5 1.0
PB A:APC507 3.4 39.4 1.0
O3B A:APC507 3.4 42.6 1.0
OD2 A:ASP99 3.5 26.3 1.0
OD2 A:ASP47 3.5 39.8 1.0
PG A:APC507 3.6 35.2 1.0
C A:ILE48 3.7 38.3 1.0
O A:HOH807 4.1 47.5 1.0
O1G A:APC507 4.1 29.0 1.0
N A:ILE48 4.3 32.4 1.0
C3A A:APC507 4.4 44.0 1.0
O2B A:APC507 4.5 41.1 1.0
CB A:ASP99 4.5 23.5 1.0
O3G A:APC507 4.5 41.6 1.0
CB A:ASP47 4.5 30.8 1.0
N A:SER49 4.6 38.7 1.0
N7 A:APC507 4.6 54.8 1.0
O A:ASP99 4.6 29.9 1.0
CA A:ILE48 4.6 36.4 1.0
C A:ASP47 4.6 30.4 1.0
C A:ASP99 4.6 25.4 1.0
O A:HOH606 4.6 37.1 1.0
CA A:SER49 4.7 41.1 1.0
CA A:ASP47 4.8 29.5 1.0
C8 A:APC507 4.8 59.7 1.0
CB A:ALA100 4.8 21.8 1.0
CA A:ASP99 4.9 24.1 1.0
N A:ALA100 5.0 23.6 1.0

Reference:

L.Ramos-Espiritu, S.Kleinboelting, F.A.Navarrete, A.Alvau, P.E.Visconti, F.Valsecchi, A.Starkov, G.Manfredi, H.Buck, C.Adura, J.H.Zippin, J.Van Den Heuvel, J.F.Glickman, C.Steegborn, L.R.Levin, J.Buck. Discovery of LRE1 As A Specific and Allosteric Inhibitor of Soluble Adenylyl Cyclase. Nat.Chem.Biol. V. 12 838 2016.
ISSN: ESSN 1552-4469
PubMed: 27547922
DOI: 10.1038/NCHEMBIO.2151
Page generated: Sun Jul 14 20:40:06 2024

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