Calcium in PDB 6qyh: Structure of Apo Hpab From E.Coli

All present enzymatic activity of Structure of Apo Hpab From E.Coli:
1.14.14.9;

The structure of Structure of Apo Hpab From E.Coli, PDB code: 6qyh was solved by L.Pecqueur, M.Lombard, Y.Deng, M.Fontecave, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.45 / 1.94
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	189.280, 189.280, 163.530, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 18.4

The binding sites of Calcium atom in the Structure of Apo Hpab From E.Coli (pdb code 6qyh). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structure of Apo Hpab From E.Coli, PDB code: 6qyh:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Structure of Apo Hpab From E.Coli


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Apo Hpab From E.Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:44.1 occ:0.50 O A:HOH921 2.1 59.4 1.0 OE1 A:GLU359 2.3 47.1 1.0 O A:HOH892 2.4 51.7 1.0 O A:HOH903 2.5 70.6 1.0 O B:HOH712 2.5 50.4 1.0 O A:HOH971 2.6 74.7 1.0 CD A:GLU359 3.4 55.5 1.0 O B:HOH921 3.6 79.4 1.0 CG A:GLU359 4.2 39.1 1.0 OE2 A:GLU359 4.3 49.9 1.0 O B:HOH754 4.4 57.3 1.0 NH2 B:ARG97 4.4 43.7 1.0 O A:HOH838 4.5 61.7 1.0 OD1 B:ASP354 4.6 40.2 1.0 CB A:GLU359 4.7 35.9 1.0 O4 A:PEG606 4.9 68.4 1.0 O B:HOH721 5.0 44.8 1.0

Calcium binding site 2 out of 3 in the Structure of Apo Hpab From E.Coli


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Apo Hpab From E.Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:45.3 occ:0.60 OD1 B:ASN391 2.1 42.2 0.5 O B:HOH808 2.5 42.7 1.0 OE1 B:GLU394 2.5 56.0 0.7 O B:HOH720 3.0 35.5 0.5 CG B:ASN391 3.2 45.4 0.5 CD B:GLU394 3.5 73.3 0.7 OE2 B:GLU394 3.7 74.9 0.7 ND2 B:ASN391 3.9 34.6 0.5 ND2 B:ASN391 4.0 37.2 0.5 CA B:ASN391 4.1 31.4 0.5 CA B:ASN391 4.1 31.5 0.5 N B:ASN391 4.2 31.2 0.5 N B:ASN391 4.2 31.1 0.5 CB B:ASN391 4.2 31.0 0.5 CB B:ASN391 4.2 31.1 0.5 CG B:LYS390 4.6 45.8 1.0 OE2 B:GLU455 4.6 45.1 1.0 C B:LYS390 4.6 34.4 1.0 CG B:ASN391 4.6 44.6 0.5 O B:ALA387 4.7 33.6 1.0 CB B:LYS390 4.8 32.6 1.0 CG B:GLU394 4.9 50.0 0.7 O B:LYS390 4.9 34.9 1.0 OE1 B:GLU455 5.0 47.0 1.0

Calcium binding site 3 out of 3 in the Structure of Apo Hpab From E.Coli


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Apo Hpab From E.Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca602 b:45.1 occ:0.50 O B:HOH795 2.1 67.9 1.0 O B:HOH705 2.1 47.5 1.0 O B:GLY26 2.2 51.3 1.0 O B:HOH767 2.2 47.1 1.0 C B:GLY26 3.2 51.8 1.0 CA B:GLY26 3.5 49.4 1.0 O B:HOH908 3.8 58.6 1.0 O B:ASP229 4.2 54.0 1.0 O B:HOH770 4.2 53.0 1.0 N B:ARG27 4.4 47.4 1.0 O B:HOH701 4.7 52.5 1.0 OD1 B:ASP231 4.8 61.1 1.0 OE1 B:GLU28 4.8 56.6 1.0 C B:ARG27 4.8 47.6 1.0 CA B:ARG27 4.9 45.9 1.0 N B:GLY26 4.9 49.2 1.0 C B:ASP229 4.9 53.9 1.0 CB B:GLU28 4.9 43.0 1.0 N B:GLU28 4.9 43.1 1.0

Y.Deng, B.Faivre, O.Back, M.Lombard, L.Pecqueur, M.Fontecave. Structure and Functional Characterization of 4-Hydroxyphenylacetate 3-Hydroxylase From Escherichia Coli. Chembiochem 2019.
ISSN: ESSN 1439-7633
PubMed: 31155821
DOI: 10.1002/CBIC.201900277