Calcium in PDB 7auc: Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm)

All present enzymatic activity of Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm):
3.6.4.12;

The structure of Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm), PDB code: 7auc was solved by X.Chen, A.W.Oliver, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.23 / 1.53
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.280, 107.690, 55.200, 90.00, 109.31, 90.00
R / Rfree (%)	18.9 / 20.8

The structure of Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm) also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Calcium atom in the Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm) (pdb code 7auc). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm), PDB code: 7auc:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm)


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 An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1518 b:30.9 occ:1.00 O2' A:ADP1514 3.0 23.1 1.0 NZ A:LYS726 3.2 22.3 1.0 O A:HOH1724 3.2 21.7 1.0 O A:HOH1920 3.3 40.3 1.0 C2' A:ADP1514 3.5 22.7 1.0 CE A:LYS726 4.1 23.5 1.0 C8 A:ADP1514 4.2 20.7 1.0 O A:HOH1640 4.3 41.5 1.0 CB A:LEU697 4.4 18.6 1.0 N9 A:ADP1514 4.4 20.9 1.0 CD2 A:PHE663 4.4 19.9 1.0 CD1 A:LEU697 4.4 19.7 1.0 CD A:LYS726 4.5 23.5 1.0 O A:HOH1622 4.5 23.7 1.0 OE1 A:GLN700 4.6 19.4 1.0 C1' A:ADP1514 4.6 22.2 1.0 N A:LEU697 4.6 17.4 1.0 CE2 A:PHE663 4.7 20.4 1.0 N7 A:ADP1514 4.7 19.9 1.0 CA A:LEU697 4.8 17.3 1.0 C3' A:ADP1514 4.8 23.5 1.0 CB A:SER696 4.8 19.1 1.0 CD1 A:LEU665 4.8 23.9 1.0 CG A:LEU697 5.0 19.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1519 b:63.6 occ:1.00 O A:GLU1047 2.9 36.1 1.0 CB A:PHE1050 3.4 38.8 1.0 N A:PHE1050 3.7 41.4 1.0 C A:GLU1047 4.0 35.0 1.0 CA A:ASN1048 4.1 40.3 1.0 CA A:PHE1050 4.1 40.5 1.0 N A:GLY1049 4.2 42.3 1.0 CB A:LEU1042 4.3 23.9 1.0 C A:ASN1048 4.3 42.0 1.0 O A:PHE1050 4.4 42.3 1.0 CG2 A:ILE1039 4.5 27.2 1.0 N A:ASN1048 4.5 37.8 1.0 O A:ILE1039 4.5 23.1 1.0 N A:ALA1043 4.6 24.2 1.0 CG A:PHE1050 4.7 36.8 1.0 C A:PHE1050 4.8 41.6 1.0 CA A:ILE1039 4.8 23.4 1.0 C A:GLY1049 4.8 42.9 1.0 C A:LEU1042 4.8 24.1 1.0 O A:HOH1941 4.9 55.2 1.0 CA A:ALA1043 5.0 25.7 1.0

X.Chen, Y.Ali, C.E.L.Fisher, R.Arribas-Bosacoma, M.B.Rajasekaran, G.Williams, S.Walker, S.M.Roe, L.H.Pearl, S.E.Ward, F.M.G.Pearl, A.W.Oliver. Uncovering An Allosteric Mode of Action For A Selective Inhibitor of Human Bloom Syndrome Protein Biorxiv 2020.
DOI: 10.1101/2020.11.30.403493