Magnesium in PDB 5tf7: Nucleotide-Binding Domain 1 of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp

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

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

Protein crystallography data

The structure of Nucleotide-Binding Domain 1 of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp, PDB code: 5tf7 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)*	40.29 / 1.93
*Space group*	P 4₃
*Cell size a, b, c (Å), α, β, γ (°)*	40.288, 40.288, 141.165, 90.00, 90.00, 90.00
*R / R_free (%)*	15.7 / 20

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 Atp (pdb code 5tf7). 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 Atp, PDB code: 5tf7:

Magnesium binding site 1 out of 1 in 5tf7

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Magnesium Binding Sites List in 5tf7

Magnesium binding site 1 out of 1 in the Nucleotide-Binding Domain 1 of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp

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 Atp within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg701 b:16.8 occ:1.00	OG1	A:THR465	2.0	14.6	1.0
	O3G	A:ATP702	2.0	20.0	1.0
	O	A:HOH840	2.1	15.0	1.0
	OE1	A:GLN493	2.1	18.6	1.0
	O2B	A:ATP702	2.1	14.3	1.0
	O	A:HOH851	2.1	17.7	1.0
	CB	A:THR465	3.1	14.7	1.0
	CD	A:GLN493	3.1	21.4	1.0
	PG	A:ATP702	3.2	21.3	1.0
	PB	A:ATP702	3.3	18.1	1.0
	NE2	A:GLN493	3.5	20.0	1.0
	O3B	A:ATP702	3.6	19.1	1.0
	N	A:THR465	3.9	15.4	1.0
	OD2	A:ASP572	3.9	18.9	1.0
	O1G	A:ATP702	4.0	22.8	1.0
	O	A:HOH870	4.0	17.8	1.0
	O2A	A:ATP702	4.1	19.8	1.0
	CA	A:THR465	4.1	15.3	1.0
	OD1	A:ASP572	4.1	14.6	1.0
	CG2	A:THR465	4.1	17.9	1.0
	O1B	A:ATP702	4.4	18.6	1.0
	O	A:HOH922	4.4	36.0	1.0
	O3A	A:ATP702	4.4	19.1	1.0
	O2G	A:ATP702	4.4	20.6	1.0
	CG	A:ASP572	4.4	18.5	1.0
	CG	A:GLN493	4.5	19.2	1.0
	PA	A:ATP702	4.7	20.3	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 Sep 30 04:50:10 2024

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