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

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

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

Protein crystallography data

The structure of Nucleotide-Binding Domain 1 of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Dctp, PDB code: 5tfj 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) 40.14 / 1.85
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 40.142, 40.142, 141.742, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 18.5

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 Dctp (pdb code 5tfj). 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 Dctp, PDB code: 5tfj:

Magnesium binding site 1 out of 1 in 5tfj

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


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 Dctp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg701

b:11.8
occ:1.00
OG1 A:THR465 2.0 11.5 1.0
O3G A:DCP702 2.0 15.9 1.0
O2B A:DCP702 2.1 12.2 1.0
OE1 A:GLN493 2.1 12.7 1.0
O A:HOH811 2.2 10.2 1.0
O A:HOH810 2.2 13.8 1.0
CD A:GLN493 3.1 15.8 1.0
CB A:THR465 3.1 11.7 1.0
PG A:DCP702 3.3 15.0 1.0
PB A:DCP702 3.3 12.0 1.0
NE2 A:GLN493 3.5 15.0 1.0
O3B A:DCP702 3.6 14.9 1.0
OD2 A:ASP572 3.9 14.4 1.0
N A:THR465 3.9 9.4 1.0
O1G A:DCP702 4.0 15.1 1.0
O A:HOH878 4.0 17.3 1.0
OD1 A:ASP572 4.1 12.8 1.0
CA A:THR465 4.1 10.2 1.0
O2A A:DCP702 4.1 14.9 1.0
CG2 A:THR465 4.2 13.2 1.0
O3A A:DCP702 4.3 13.7 1.0
O1B A:DCP702 4.4 12.8 1.0
CG A:ASP572 4.4 14.6 1.0
O2G A:DCP702 4.4 14.2 1.0
CG A:GLN493 4.5 14.1 1.0
O A:HOH976 4.5 29.8 1.0
PA A:DCP702 4.7 15.3 1.0
O A:HOH834 4.9 13.4 1.0
CB A:GLN493 5.0 14.2 1.0

Reference:

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. Thermodynamic Correction of F508DEL-Cftr By Ligand Binding to A Remote Site in the Mutated Domain To Be Published.
Page generated: Tue Aug 12 20:29:19 2025

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