Chlorine in PDB 4ewi: Crystal Structure of the NLRP4 Pyrin Domain

The structure of Crystal Structure of the NLRP4 Pyrin Domain, PDB code: 4ewi was solved by C.Eibl, M.Hessenberger, S.Puehringer, R.Page, K.Diederichs, W.Peti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.76 / 2.28
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	62.107, 62.107, 124.932, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 24.6

The binding sites of Chlorine atom in the Crystal Structure of the NLRP4 Pyrin Domain (pdb code 4ewi). 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 the NLRP4 Pyrin Domain, PDB code: 4ewi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the NLRP4 Pyrin Domain


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 the NLRP4 Pyrin Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:97.9 occ:1.00 NH2 A:ARG52 3.3 61.2 1.0 NH1 A:ARG52 3.6 64.6 1.0 CA A:LYS20 3.7 71.6 1.0 CB A:LYS20 3.8 77.2 1.0 CZ A:ARG52 3.9 62.2 1.0 CG A:LYS20 4.0 81.3 1.0 N A:LYS20 4.4 66.4 1.0 CD A:LYS20 4.8 88.7 1.0 C A:LYS20 4.9 72.2 1.0 O A:LYS20 4.9 70.4 1.0 CD2 A:PHE23 5.0 59.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the NLRP4 Pyrin Domain


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 the NLRP4 Pyrin Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:98.2 occ:1.00 NH2 B:ARG52 3.4 61.6 1.0 CB B:LYS20 3.7 75.5 1.0 NH1 B:ARG52 3.8 64.4 1.0 CA B:LYS20 3.8 69.7 1.0 O B:HOH316 3.9 85.3 1.0 CG B:LYS20 4.0 79.2 1.0 CZ B:ARG52 4.0 62.3 1.0 O B:HOH311 4.3 70.2 1.0 N B:LYS20 4.4 64.5 1.0 CD B:LYS20 4.6 86.8 1.0 O B:HOH301 4.6 53.6 1.0

C.Eibl, S.Grigoriu, M.Hessenberger, J.Wenger, S.Puehringer, A.S.Pinheiro, R.N.Wagner, M.Proell, J.C.Reed, R.Page, K.Diederichs, W.Peti. Structural and Functional Analysis of the NLRP4 Pyrin Domain. Biochemistry V. 51 7330 2012.
ISSN: ISSN 0006-2960
PubMed: 22928810
DOI: 10.1021/BI3007059