Chlorine in PDB 2w2j: Crystal Structure of the Human Carbonic Anhydrase Related Protein VIII

All present enzymatic activity of Crystal Structure of the Human Carbonic Anhydrase Related Protein VIII:
4.2.1.1;

The structure of Crystal Structure of the Human Carbonic Anhydrase Related Protein VIII, PDB code: 2w2j was solved by A.Kramm, J.R.C.Muniz, S.S.Picaud, F.Von Delft, E.S.Pilka, W.W.Yue, O.N.F.King, G.Kochan, A.C.W.Pike, P.Filippakopoulos, C.Arrowsmith, M.Wikstrom, A.Edwards, C.Bountra, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.86 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.267, 73.854, 87.908, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 22.9

The binding sites of Chlorine atom in the Crystal Structure of the Human Carbonic Anhydrase Related Protein VIII (pdb code 2w2j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Human Carbonic Anhydrase Related Protein VIII, PDB code: 2w2j:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Human Carbonic Anhydrase Related Protein VIII


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 Human Carbonic Anhydrase Related Protein VIII within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:27.2 occ:1.00 ND1 A:HIS141 3.0 16.2 1.0 NE2 A:HIS118 3.0 15.9 1.0 O A:HOH2244 3.2 20.5 1.0 O A:HOH2147 3.4 44.4 1.0 CD A:ARG116 3.4 31.7 1.0 CB A:ARG116 3.7 18.8 1.0 CE1 A:HIS118 3.8 15.8 1.0 CE1 A:HIS141 3.9 13.7 1.0 OG1 A:THR223 4.0 15.0 1.0 CG A:HIS141 4.0 11.0 1.0 CD2 A:HIS118 4.1 12.5 1.0 CG A:ARG116 4.2 24.3 1.0 CB A:HIS141 4.2 14.3 1.0 CD1 A:ILE143 4.4 25.8 1.0 OE1 A:GLU128 4.5 19.3 1.0 CG2 A:ILE224 4.6 21.0 1.0 NE A:ARG116 4.6 34.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Human Carbonic Anhydrase Related Protein VIII


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 Human Carbonic Anhydrase Related Protein VIII within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:79.4 occ:1.00 O A:GLU32 3.5 36.0 1.0 O A:HOH2007 3.6 27.4 1.0 O A:GLY30 3.8 23.2 1.0 O A:HOH2021 4.1 32.7 1.0 NE1 A:TRP37 4.3 21.5 1.0 O A:GLY34 4.4 34.1 1.0 O A:VAL35 4.4 30.7 1.0 C A:GLU32 4.5 26.8 1.0 O A:HOH2019 4.5 39.2 1.0 O A:HOH2009 4.5 36.9 1.0 O A:HOH2017 4.5 48.2 1.0 C A:TYR31 4.7 22.2 1.0 C A:GLY30 4.7 24.4 1.0 N A:GLY34 4.7 42.5 1.0 CD1 A:TRP37 4.7 20.4 1.0 N A:GLU32 4.8 22.6 1.0 C A:GLY34 4.8 36.0 1.0 CA A:TYR31 4.8 20.2 1.0 C A:GLU33 4.9 50.1 1.0 O A:TYR31 4.9 29.5 1.0 CA A:GLY34 5.0 37.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Human Carbonic Anhydrase Related Protein VIII


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Human Carbonic Anhydrase Related Protein VIII within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:79.8 occ:1.00 NH2 A:ARG252 3.4 25.2 0.5 O A:HOH2201 3.6 54.9 1.0 NH1 A:ARG252 3.7 28.2 0.5 CZ A:ARG252 3.9 29.0 0.5 O A:HOH2276 4.2 36.0 1.0 OE1 A:GLN190 4.7 26.7 1.0 O A:HOH2207 4.7 30.7 1.0

S.S.Picaud, J.R.C.Muniz, A.Kramm, E.S.Pilka, G.Kochan, U.Oppermann, W.W.Yue. Crystal Structure of Human Carbonic Anhydrase- Related Protein VIII Reveals the Basis For Catalytic Silencing. Proteins V. 76 507 2009.
ISSN: ISSN 0887-3585
PubMed: 19360879
DOI: 10.1002/PROT.22411