Chlorine in PDB 8j1m: Crystal Structure of A Crosslinked Variant of Bbzip

The structure of Crystal Structure of A Crosslinked Variant of Bbzip, PDB code: 8j1m was solved by T.Zhang, Y.Zhang, D.Sui, J.Hu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.44 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.407, 51.012, 51.817, 90, 113.92, 90
R / Rfree (%)	17.1 / 20

The structure of Crystal Structure of A Crosslinked Variant of Bbzip also contains other interesting chemical elements:

Mercury	(Hg)	1 atom
Cadmium	(Cd)	3 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Crosslinked Variant of Bbzip (pdb code 8j1m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Crosslinked Variant of Bbzip, PDB code: 8j1m:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Crosslinked Variant of Bbzip


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Crosslinked Variant of Bbzip within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:44.1 occ:1.00 O A:HOH554 3.0 41.3 1.0 N A:ILE226 3.3 35.6 1.0 NE A:ARG220 3.3 41.1 1.0 NH2 A:ARG220 3.4 34.9 1.0 NH1 A:ARG81 3.5 57.4 1.0 NH2 A:ARG81 3.8 63.0 1.0 CA A:PRO225 3.8 39.7 1.0 CG2 A:ILE226 3.8 39.6 1.0 CZ A:ARG220 3.9 35.5 1.0 CB A:ILE226 3.9 38.3 1.0 CZ A:ARG81 4.0 69.6 1.0 C A:PRO225 4.0 40.8 1.0 CA A:ILE226 4.2 32.5 1.0 CB A:PRO225 4.3 41.7 1.0 CG A:ARG220 4.4 38.4 1.0 CD A:ARG220 4.5 34.1 1.0 O A:HOH525 4.9 42.1 1.0 O A:LEU224 5.0 30.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Crosslinked Variant of Bbzip


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Crosslinked Variant of Bbzip within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:42.8 occ:0.84 CD A:CD402 2.6 27.7 0.8 O A:HOH534 2.9 49.0 1.0 NE2 A:HIS177 3.3 29.2 1.0 CG A:MET99 3.4 36.2 1.0 OE1 A:GLN207 3.5 38.7 1.0 CE1 A:HIS177 3.5 27.5 1.0 O A:HOH537 3.5 36.8 1.0 O A:CYS95 3.6 34.3 1.0 CA A:ALA96 3.8 35.1 1.0 C A:CYS95 3.8 32.2 1.0 OE2 A:GLU181 3.8 33.4 1.0 N A:ALA96 3.9 32.8 1.0 OE2 A:GLU211 3.9 37.5 1.0 CB A:MET99 4.0 34.5 1.0 CG2 A:VAL273 4.2 33.9 1.0 CB A:CYS95 4.4 35.0 1.0 CB A:ALA96 4.5 29.0 1.0 CD2 A:HIS177 4.6 29.2 1.0 CD A:GLN207 4.6 38.0 1.0 CG2 A:VAL277 4.7 29.6 1.0 ND1 A:HIS177 4.7 27.4 1.0 CA A:CYS95 4.8 34.8 1.0 C A:ALA96 4.9 32.1 1.0 CD A:GLU211 4.9 36.8 1.0 SD A:MET99 4.9 50.4 1.0 OE1 A:GLU211 5.0 29.4 1.0

Y.Zhang, M.Jafari, T.Zhang, D.Sui, L.Sagresti, K.M.Merz Jr., J.Hu. Molecular Insights Into Substrate Translocation in An Elevator-Type Metal Transporter. Biorxiv 2024.
ISSN: ISSN 2692-8205
PubMed: 39345646
DOI: 10.1101/2024.09.18.613805