Chlorine in PDB 3ucj: Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide

All present enzymatic activity of Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide:
4.2.1.1;

The structure of Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide, PDB code: 3ucj was solved by S.Huang, T.Hainzl, A.E.Sauer-Eriksson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.91 / 1.85
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.563, 74.563, 220.386, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 21.8

The structure of Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide (pdb code 3ucj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide, PDB code: 3ucj:

Chlorine binding site 1 out of 1 in the Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl232 b:31.0 occ:1.00 O B:HOH364 2.9 42.5 1.0 O A:HOH359 3.0 43.8 1.0 NH1 B:ARG69 3.1 25.7 1.0 NH1 A:ARG69 3.1 25.6 1.0 CD A:ARG69 3.7 23.8 1.0 CD A:PRO54 3.7 33.9 1.0 CD B:ARG69 3.7 27.8 1.0 CD B:PRO54 3.8 33.1 1.0 CG A:PRO54 4.0 33.7 1.0 CG B:PRO54 4.1 30.3 1.0 CG1 B:VAL67 4.1 24.9 1.0 CG1 A:VAL67 4.2 29.3 1.0 CZ A:ARG69 4.2 30.0 1.0 CZ B:ARG69 4.2 31.1 1.0 NE A:ARG69 4.4 27.5 1.0 NE B:ARG69 4.4 26.8 1.0 OG B:SER53 4.5 40.5 1.0 OG A:SER53 4.6 40.8 1.0 N A:PRO54 4.7 33.1 1.0 CG2 A:VAL67 4.7 28.2 1.0 CB A:VAL67 4.7 26.9 1.0 CG2 B:VAL67 4.8 26.0 1.0 N B:PRO54 4.8 32.7 1.0 CB B:VAL67 4.8 27.4 1.0 CA B:SER53 4.9 33.9 1.0 CG A:ARG69 4.9 26.6 1.0 CA A:SER53 5.0 35.8 1.0

S.Huang, T.Hainzl, C.Grundstrom, C.Forsman, G.Samuelsson, A.E.Sauer-Eriksson. Structural Studies of [Beta]-Carbonic Anhydrase From the Green Alga Coccomyxa: Inhibitor Complexes with Anions and Acetazolamide. Plos One V. 6 28458 2011.
ISSN: ESSN 1932-6203
PubMed: 22162771
DOI: 10.1371/JOURNAL.PONE.0028458