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

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

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

Protein crystallography data

The structure of Nucleotide-Binding Domain 1 of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Dutp, PDB code: 5tfa 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) 38.60 / 1.87
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 40.115, 40.115, 141.592, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 19.5

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 Dutp (pdb code 5tfa). 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 Dutp, PDB code: 5tfa:

Magnesium binding site 1 out of 1 in 5tfa

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


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 Dutp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg702

b:9.0
occ:1.00
 O1G A:DUT701 1.9 15.9 1.0
OG1 A:THR465 2.0 11.5 1.0
O1B A:DUT701 2.1 11.4 1.0
O A:HOH842 2.1 10.3 1.0
OE1 A:GLN493 2.1 12.2 1.0
O A:HOH823 2.2 12.8 1.0
CD A:GLN493 3.1 17.3 1.0
CB A:THR465 3.2 11.8 1.0
PG A:DUT701 3.2 15.0 1.0
PB A:DUT701 3.3 12.7 1.0
NE2 A:GLN493 3.5 15.4 1.0
O3B A:DUT701 3.5 14.5 1.0
O2G A:DUT701 3.9 12.4 1.0
OD2 A:ASP572 3.9 13.5 1.0
N A:THR465 3.9 9.6 1.0
O A:HOH895 4.0 15.7 1.0
O1A A:DUT701 4.0 16.2 1.0
OD1 A:ASP572 4.1 15.2 1.0
CA A:THR465 4.1 9.1 1.0
CG2 A:THR465 4.2 13.6 1.0
O3A A:DUT701 4.3 13.6 1.0
O3G A:DUT701 4.4 14.4 1.0
O A:HOH977 4.4 44.6 1.0
O2B A:DUT701 4.4 13.1 1.0
O A:HOH974 4.4 37.0 1.0
CG A:ASP572 4.4 14.2 1.0
CG A:GLN493 4.5 13.4 1.0
PA A:DUT701 4.6 14.2 1.0
O A:HOH856 4.9 16.9 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: Mon Dec 14 21:11:55 2020

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