Chlorine in PDB 1xfa: Structure of NBD1 From Murine Cftr- F508R Mutant

The structure of Structure of NBD1 From Murine Cftr- F508R Mutant, PDB code: 1xfa was solved by P.H.Thibodeau, C.A.Brautigam, M.Machius, P.J.Thomas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.27 / 3.10
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	139.994, 139.994, 278.721, 90.00, 90.00, 90.00
R / Rfree (%)	24.9 / 26.1

The structure of Structure of NBD1 From Murine Cftr- F508R Mutant also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Structure of NBD1 From Murine Cftr- F508R Mutant (pdb code 1xfa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of NBD1 From Murine Cftr- F508R Mutant, PDB code: 1xfa:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of NBD1 From Murine Cftr- F508R Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of NBD1 From Murine Cftr- F508R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5 b:0.6 occ:1.00 NH2 A:ARG553 2.5 53.4 1.0 O A:LEU548 2.8 56.9 1.0 NH1 A:ARG553 2.9 50.9 1.0 CZ A:ARG553 3.1 51.9 1.0 N A:GLY550 3.4 53.2 1.0 C A:SER549 3.5 54.0 1.0 CA A:SER549 3.6 54.9 1.0 CL A:CL6 3.8 0.4 1.0 C A:LEU548 3.8 56.4 1.0 CA A:GLY550 4.1 53.4 1.0 O A:SER549 4.1 53.0 1.0 N A:SER549 4.2 55.9 1.0 O A:VAL546 4.3 56.4 1.0 NE A:ARG553 4.4 51.9 1.0 CB A:SER549 5.0 55.5 1.0

Chlorine binding site 2 out of 2 in the Structure of NBD1 From Murine Cftr- F508R Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of NBD1 From Murine Cftr- F508R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl6 b:0.4 occ:1.00 O A:VAL546 2.7 56.4 1.0 O A:LEU548 3.2 56.9 1.0 O A:THR547 3.4 59.2 1.0 C A:THR547 3.6 57.4 1.0 CA A:THR547 3.7 57.0 1.0 CL A:CL5 3.8 0.6 1.0 C A:VAL546 3.8 58.0 1.0 C A:LEU548 4.2 56.4 1.0 N A:THR547 4.2 58.0 1.0 N A:LEU548 4.3 56.4 1.0 CA A:LEU548 4.9 56.1 1.0

P.H.Thibodeau, C.A.Brautigam, M.Machius, P.J.Thomas. Side Chain and Backbone Contributions of PHE508 to Cftr Folding. Nat.Struct.Mol.Biol. V. 12 10 2005.
ISSN: ISSN 1545-9993
PubMed: 15619636
DOI: 10.1038/NSMB881