Chlorine in PDB 7f50: X-Ray Crystal Structure of Y149A Mutated HSP72-Nbd in Complex with Amppnp

The structure of X-Ray Crystal Structure of Y149A Mutated HSP72-Nbd in Complex with Amppnp, PDB code: 7f50 was solved by T.Yokoyama, S.Fujii, Y.Nabeshima, M.Mizuguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.85 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.827, 61.968, 142.779, 90, 90, 90
R / Rfree (%)	18.6 / 22.7

The structure of X-Ray Crystal Structure of Y149A Mutated HSP72-Nbd in Complex with Amppnp also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the X-Ray Crystal Structure of Y149A Mutated HSP72-Nbd in Complex with Amppnp (pdb code 7f50). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the X-Ray Crystal Structure of Y149A Mutated HSP72-Nbd in Complex with Amppnp, PDB code: 7f50:

Chlorine binding site 1 out of 1 in the X-Ray Crystal Structure of Y149A Mutated HSP72-Nbd in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of Y149A Mutated HSP72-Nbd in Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:36.3 occ:1.00 O A:HOH716 3.2 27.2 1.0 N A:ASP32 3.2 24.1 1.0 NZ A:LYS126 3.4 34.8 1.0 CB A:ASP32 3.5 32.6 1.0 CB A:ASN31 3.5 21.0 1.0 NE2 A:GLN33 3.6 31.6 1.0 CG A:ASP32 3.7 47.7 1.0 OD2 A:ASP32 3.7 56.4 1.0 CD A:LYS126 3.9 27.4 1.0 CA A:ASP32 4.0 35.1 1.0 CG A:ASN31 4.0 23.3 1.0 CE A:LYS126 4.1 30.3 1.0 OE1 A:GLN33 4.2 36.5 1.0 CG1 A:ILE130 4.2 22.3 1.0 C A:ASN31 4.2 26.9 1.0 CA A:ASN31 4.2 23.3 1.0 CD A:GLN33 4.3 34.2 1.0 ND2 A:ASN31 4.3 22.5 1.0 CD1 A:ILE130 4.4 21.6 1.0 O A:HOH631 4.4 25.1 1.0 OD1 A:ASP32 4.5 52.6 1.0 OD1 A:ASN31 4.5 20.6 1.0 O A:HOH537 4.7 39.1 1.0 N A:GLN33 4.8 27.4 1.0 C A:ASP32 4.9 33.5 1.0 O A:HOH543 4.9 40.6 1.0

T.Yokoyama, S.Fujii, A.Ostermann, T.E.Schrader, Y.Nabeshima, M.Mizuguchi. Neutron Crystallographic Analysis of the Nucleotide-Binding Domain of HSP72 in Complex with Adp. Iucrj V. 9 562 2022.
ISSN: ESSN 2052-2525
DOI: 10.1107/S2052252522006297