Chlorine in PDB 4lp8: A Novel Open-State Crystal Structure of the Prokaryotic Inward Rectifier KIRBAC3.1

The structure of A Novel Open-State Crystal Structure of the Prokaryotic Inward Rectifier KIRBAC3.1, PDB code: 4lp8 was solved by L.Zubcevic, V.N.Bavro, J.R.C.Muniz, M.R.Schmidt, S.Wang, R.De Zorzi, C.Venien-Bryan, M.S.P.Sansom, C.G.Nichols, S.J.Tucker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.82 / 2.46
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.650, 105.650, 89.900, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 24.8

The structure of A Novel Open-State Crystal Structure of the Prokaryotic Inward Rectifier KIRBAC3.1 also contains other interesting chemical elements:

Potassium

(K)

8 atoms

The binding sites of Chlorine atom in the A Novel Open-State Crystal Structure of the Prokaryotic Inward Rectifier KIRBAC3.1 (pdb code 4lp8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the A Novel Open-State Crystal Structure of the Prokaryotic Inward Rectifier KIRBAC3.1, PDB code: 4lp8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the A Novel Open-State Crystal Structure of the Prokaryotic Inward Rectifier KIRBAC3.1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A Novel Open-State Crystal Structure of the Prokaryotic Inward Rectifier KIRBAC3.1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl410 b:35.8 occ:0.25 NH2 A:ARG129 3.1 29.7 1.0 NE A:ARG129 3.8 29.6 1.0 CL A:CL411 3.8 43.3 0.2 CZ A:ARG129 3.9 42.6 1.0 O A:HOH567 5.0 58.2 1.0

Chlorine binding site 2 out of 3 in the A Novel Open-State Crystal Structure of the Prokaryotic Inward Rectifier KIRBAC3.1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A Novel Open-State Crystal Structure of the Prokaryotic Inward Rectifier KIRBAC3.1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl411 b:43.3 occ:0.20 NE A:ARG129 3.3 29.6 1.0 CD A:ARG129 3.5 24.1 1.0 CL A:CL410 3.8 35.8 0.2 O A:HOH651 4.2 55.8 1.0 CG A:ARG129 4.2 28.2 1.0 CZ A:ARG129 4.5 42.6 1.0 NH2 A:ARG129 4.8 29.7 1.0

Chlorine binding site 3 out of 3 in the A Novel Open-State Crystal Structure of the Prokaryotic Inward Rectifier KIRBAC3.1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of A Novel Open-State Crystal Structure of the Prokaryotic Inward Rectifier KIRBAC3.1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl412 b:80.2 occ:1.00 O A:HOH613 2.7 34.6 1.0 O A:HOH511 3.0 37.0 1.0 OD1 A:ASP219 3.3 59.5 1.0 C A:HIS221 3.5 51.0 1.0 N A:SER222 3.6 44.4 1.0 CB A:HIS221 3.7 55.2 1.0 O A:HIS221 3.7 50.5 1.0 O A:HOH654 3.7 66.7 1.0 CA A:SER222 3.9 41.7 1.0 CG A:ASP219 4.0 57.5 1.0 OD2 A:ASP219 4.1 64.6 1.0 CE1 A:HIS216 4.2 36.8 1.0 CA A:HIS221 4.2 53.2 1.0 CB A:THR199 4.2 42.1 1.0 CB A:SER222 4.3 42.9 1.0 OG1 A:THR199 4.3 43.8 1.0 O A:HOH573 4.4 64.0 1.0 O A:PRO217 4.5 37.1 1.0 N A:HIS221 4.8 53.1 1.0 CG2 A:THR199 4.8 46.4 1.0 CG A:HIS221 4.9 61.8 1.0 ND1 A:HIS216 4.9 35.7 1.0

L.Zubcevic, V.N.Bavro, J.R.Muniz, M.R.Schmidt, S.Wang, R.De Zorzi, C.Venien-Bryan, M.S.Sansom, C.G.Nichols, S.J.Tucker. Control of KIRBAC3.1 Potassium Channel Gating at the Interface Between Cytoplasmic Domains. J.Biol.Chem. V. 289 143 2014.
ISSN: ISSN 0021-9258
PubMed: 24257749
DOI: 10.1074/JBC.M113.501833