Magnesium in PDB 4wz6: Human Cftr AA389-678 (NBD1), DELTAF508 with Three Solubilizing Mutations, Bound Atp

All present enzymatic activity of Human Cftr AA389-678 (NBD1), DELTAF508 with Three Solubilizing Mutations, Bound Atp:
3.6.3.49;

The structure of Human Cftr AA389-678 (NBD1), DELTAF508 with Three Solubilizing Mutations, Bound Atp, PDB code: 4wz6 was solved by L.J.Byrnes, J.Hall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.74 / 2.05
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	101.456, 101.456, 58.335, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23.9

The binding sites of Magnesium atom in the Human Cftr AA389-678 (NBD1), DELTAF508 with Three Solubilizing Mutations, Bound Atp (pdb code 4wz6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Human Cftr AA389-678 (NBD1), DELTAF508 with Three Solubilizing Mutations, Bound Atp, PDB code: 4wz6:

Magnesium binding site 1 out of 1 in the Human Cftr AA389-678 (NBD1), DELTAF508 with Three Solubilizing Mutations, Bound Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Cftr AA389-678 (NBD1), DELTAF508 with Three Solubilizing Mutations, Bound Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg702 b:37.9 occ:1.00 O A:HOH838 2.7 32.0 1.0 O A:HOH834 2.8 22.3 1.0 OG A:SER572 2.9 37.5 1.0 O3G A:ATP701 3.3 24.6 1.0 CE A:LYS464 3.5 26.0 1.0 O2G A:ATP701 3.5 21.7 1.0 NE2 A:GLN493 3.7 22.8 1.0 PG A:ATP701 3.9 24.1 1.0 NZ A:LYS464 4.0 25.5 1.0 CB A:SER572 4.0 28.3 1.0 CG1 A:VAL602 4.0 22.6 1.0 O A:HOH831 4.2 35.5 1.0 O A:HOH822 4.2 12.8 1.0 CD A:GLN493 4.3 22.8 1.0 OD1 A:ASP571 4.6 25.6 1.0 OE1 A:GLN493 4.6 21.0 1.0 OD1 A:ASN658 4.7 37.5 1.0 ND2 A:ASN658 4.8 36.1 1.0 CD A:LYS464 4.8 25.3 1.0 O1B A:ATP701 5.0 21.6 1.0 CG A:ASN658 5.0 34.9 1.0 O3B A:ATP701 5.0 22.5 1.0

J.D.Hall, H.Wang, L.J.Byrnes, S.Shanker, K.Wang, I.V.Efremov, P.A.Chong, J.D.Forman-Kay, A.E.Aulabaugh. Binding Screen For Cystic Fibrosis Transmembrane Conductance Regulator Correctors Finds New Chemical Matter and Yields Insights Into Cystic Fibrosis Therapeutic Strategy. Protein Sci. V. 25 360 2016.
ISSN: ESSN 1469-896X
PubMed: 26444971
DOI: 10.1002/PRO.2821