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Magnesium in PDB 5tgk: Nucleotide-Binding Domain 1 of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Datp

Enzymatic activity of Nucleotide-Binding Domain 1 of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Datp

All present enzymatic activity of Nucleotide-Binding Domain 1 of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Datp:
3.6.3.49;

Protein crystallography data

The structure of Nucleotide-Binding Domain 1 of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Datp, PDB code: 5tgk was solved by C.Wang, A.A.Aleksandrov, Z.Yang, F.Forouhar, E.Proctor, P.Kota, J.An, A.Kaplan, N.Khazanov, G.Boel, B.R.Stockwell, H.Senderowitz, N.V.Dokholyan, J.R.Riordan, C.G.Brouillette, J.F.Hunt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.16 / 1.91
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 40.160, 40.160, 141.775, 90.00, 90.00, 90.00
R / Rfree (%) 15.5 / 19.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Nucleotide-Binding Domain 1 of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Datp (pdb code 5tgk). 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 Nucleotide-Binding Domain 1 of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Datp, PDB code: 5tgk:

Magnesium binding site 1 out of 1 in 5tgk

Go back to Magnesium Binding Sites List in 5tgk
Magnesium binding site 1 out of 1 in the Nucleotide-Binding Domain 1 of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Datp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Nucleotide-Binding Domain 1 of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Datp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg701

b:15.2
occ:1.00
 O1G A:DTP702 2.0 18.2 1.0
OG1 A:THR465 2.0 13.5 1.0
OE1 A:GLN493 2.1 15.0 1.0
O1B A:DTP702 2.1 14.1 1.0
O A:HOH821 2.2 13.3 1.0
O A:HOH816 2.2 14.9 1.0
CD A:GLN493 3.1 18.1 1.0
CB A:THR465 3.1 15.3 1.0
PG A:DTP702 3.3 17.8 1.0
PB A:DTP702 3.3 16.1 1.0
NE2 A:GLN493 3.4 19.1 1.0
O3B A:DTP702 3.6 18.2 1.0
N A:THR465 3.9 13.2 1.0
OD2 A:ASP572 3.9 17.5 1.0
O2G A:DTP702 4.0 19.0 1.0
O1A A:DTP702 4.0 18.0 1.0
O A:HOH879 4.1 16.8 1.0
CA A:THR465 4.1 12.4 1.0
OD1 A:ASP572 4.1 15.5 1.0
CG2 A:THR465 4.1 15.4 1.0
O3A A:DTP702 4.4 17.4 1.0
O2B A:DTP702 4.4 18.3 1.0
CG A:ASP572 4.4 17.6 1.0
CG A:GLN493 4.4 15.8 1.0
O3G A:DTP702 4.4 17.2 1.0
PA A:DTP702 4.7 19.0 1.0
O A:HOH831 5.0 17.3 1.0

Reference:

C.Wang, A.A.Aleksandrov, Z.Yang, F.Forouhar, E.A.Proctor, P.Kota, J.An, A.Kaplan, N.Khazanov, G.Boel, B.R.Stockwell, H.Senderowitz, N.V.Dokholyan, J.R.Riordan, C.G.Brouillette, J.F.Hunt. Ligand Binding to A Remote Site Thermodynamically Corrects the F508DEL Mutation in the Human Cystic Fibrosis Transmembrane Conductance Regulator. J. Biol. Chem. 2018.
ISSN: ESSN 1083-351X
PubMed: 29903914
DOI: 10.1074/JBC.RA117.000819
Page generated: Tue Aug 12 20:29:30 2025

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