Magnesium in PDB 3fe4: Crystal Structure of Human Carbonic Anhydrase VI

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase VI:
4.2.1.1;

The structure of Crystal Structure of Human Carbonic Anhydrase VI, PDB code: 3fe4 was solved by E.S.Pilka, G.Kochan, E.Krysztofinska, J.Muniz, W.W.Yue, A.K.Roos, F.Vondelft, C.H.Arrowsmith, J.Weigelt, A.Edwards, C.Bountra, U.Oppermann, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.27 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.650, 80.048, 133.441, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 23.5

The binding sites of Magnesium atom in the Crystal Structure of Human Carbonic Anhydrase VI (pdb code 3fe4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Human Carbonic Anhydrase VI, PDB code: 3fe4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human Carbonic Anhydrase VI


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human Carbonic Anhydrase VI within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg901 b:12.1 occ:1.00 O A:HOH370 2.0 21.5 1.0 ND1 A:HIS138 2.2 13.0 1.0 NE2 A:HIS111 2.2 16.6 1.0 NE2 A:HIS113 2.2 18.3 1.0 O A:HOH374 2.2 19.4 1.0 O A:HOH371 2.2 17.4 1.0 CE1 A:HIS138 3.0 13.4 1.0 CE1 A:HIS111 3.1 22.0 1.0 CD2 A:HIS113 3.2 18.0 1.0 CE1 A:HIS113 3.2 30.1 1.0 CD2 A:HIS111 3.2 15.5 1.0 CG A:HIS138 3.3 12.6 1.0 CB A:HIS138 3.7 7.2 1.0 OE1 A:GLU125 4.0 28.5 1.0 NE2 A:HIS138 4.2 14.9 1.0 ND1 A:HIS111 4.2 15.2 1.0 ND1 A:HIS113 4.3 25.0 1.0 CD2 A:HIS138 4.3 14.1 1.0 CG A:HIS113 4.3 13.8 1.0 CG A:HIS111 4.3 13.9 1.0 O A:HOH372 4.3 27.3 1.0 O A:HOH490 4.5 44.8 1.0 O A:HOH453 4.6 20.4 1.0 CD A:GLU125 4.8 34.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Human Carbonic Anhydrase VI


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Human Carbonic Anhydrase VI within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg902 b:12.6 occ:1.00 O B:HOH376 2.1 21.3 1.0 NE2 B:HIS111 2.1 16.7 1.0 O B:HOH352 2.2 22.2 1.0 NE2 B:HIS113 2.2 24.3 1.0 ND1 B:HIS138 2.2 16.2 1.0 O B:HOH375 2.2 17.2 1.0 CE1 B:HIS138 3.0 16.4 1.0 CE1 B:HIS111 3.0 22.1 1.0 CE1 B:HIS113 3.1 28.1 1.0 CD2 B:HIS111 3.1 16.7 1.0 CD2 B:HIS113 3.2 26.0 1.0 CG B:HIS138 3.3 18.0 1.0 CB B:HIS138 3.8 13.9 1.0 O B:HOH400 4.1 39.0 1.0 ND1 B:HIS111 4.2 18.1 1.0 OE1 B:GLU125 4.2 36.7 1.0 NE2 B:HIS138 4.2 16.4 1.0 CG B:HIS111 4.2 18.6 1.0 ND1 B:HIS113 4.3 25.7 1.0 O B:HOH377 4.3 29.3 1.0 CG B:HIS113 4.3 25.7 1.0 CD2 B:HIS138 4.4 18.2 1.0 O B:HOH501 4.5 23.9 1.0 O B:HOH347 4.7 37.7 1.0 CD B:GLU125 4.9 24.9 1.0

E.S.Pilka, G.Kochan, U.Oppermann, W.W.Yue. Crystal Structure of the Secretory Isozyme of Mammalian Carbonic Anhydrases Ca VI: Implications For Biological Assembly and Inhibitor Development Biochem.Biophys.Res.Commun. V. 419 485 2012.
ISSN: ISSN 0006-291X
PubMed: 22366092
DOI: 10.1016/J.BBRC.2012.02.038