Chlorine in PDB 1r54: Crystal Structure of the Catalytic Domain of Human ADAM33

The structure of Crystal Structure of the Catalytic Domain of Human ADAM33, PDB code: 1r54 was solved by P.Orth, P.Reicher, W.Wang, W.W.Prosise, T.Yarosh-Tomaine, G.Hammond, L.Xiao, U.A.Mirza, J.Zou, C.Strickland, S.S.Taremi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.85
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	56.476, 65.461, 99.863, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 23.3

The structure of Crystal Structure of the Catalytic Domain of Human ADAM33 also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Catalytic Domain of Human ADAM33 (pdb code 1r54). 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 Catalytic Domain of Human ADAM33, PDB code: 1r54:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Catalytic Domain of Human ADAM33


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 Catalytic Domain of Human ADAM33 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:24.7 occ:1.00 O A:HOH9 2.9 19.9 1.0 O A:HOH88 3.1 34.0 1.0 NE A:ARG398 3.2 17.5 1.0 CD A:ARG398 3.5 18.9 1.0 O A:HOH49 3.5 33.8 1.0 O A:ARG394 4.2 16.6 1.0 O A:HOH30 4.3 18.6 1.0 CZ A:ARG398 4.3 18.4 1.0 CB A:ARG398 4.3 17.8 1.0 CB A:ARG394 4.4 19.8 1.0 C A:ARG394 4.5 16.9 1.0 CG A:ARG398 4.5 18.7 1.0 O A:HOH74 4.6 35.4 1.0 NH2 A:ARG398 4.6 19.0 1.0 N A:ALA395 4.9 17.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Catalytic Domain of Human ADAM33


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 Catalytic Domain of Human ADAM33 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl512 b:29.1 occ:1.00 NH1 A:ARG398 3.1 18.6 1.0 CG A:ARG398 3.8 18.7 1.0 CD A:ARG398 3.9 18.9 1.0 O A:HOH37 4.0 24.1 1.0 CZ A:ARG398 4.2 18.4 1.0 NE A:ARG398 4.5 17.5 1.0 O A:ARG398 4.9 18.7 1.0

P.Orth, P.Reichert, W.Wang, W.W.Prosise, T.Yarosh-Tomaine, G.Hammond, L.Xiao, U.A.Mirza, J.Zou, C.Strickland, S.S.Taremi, H.V.Le, V.Madison. Crystal Structre of the Catalytic Domain of Human ADAM33 J.Mol.Biol. V. 335 129 2004.
ISSN: ISSN 0022-2836
PubMed: 14659745
DOI: 10.1016/J.JMB.2003.10.037