Chlorine in PDB 2x2h: Crystal Structure of the Gracilariopsis Lemaneiformis Alpha-1,4- Glucan Lyase

All present enzymatic activity of Crystal Structure of the Gracilariopsis Lemaneiformis Alpha-1,4- Glucan Lyase:
4.2.2.13;

The structure of Crystal Structure of the Gracilariopsis Lemaneiformis Alpha-1,4- Glucan Lyase, PDB code: 2x2h was solved by H.J.Rozeboom, S.Yu, S.Madrid, K.H.Kalk, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	132.45 / 2.06
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	91.678, 96.629, 134.457, 80.54, 83.28, 85.26
R / Rfree (%)	16.8 / 21.5

The binding sites of Chlorine atom in the Crystal Structure of the Gracilariopsis Lemaneiformis Alpha-1,4- Glucan Lyase (pdb code 2x2h). 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 Gracilariopsis Lemaneiformis Alpha-1,4- Glucan Lyase, PDB code: 2x2h:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Gracilariopsis Lemaneiformis Alpha-1,4- Glucan Lyase


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 Gracilariopsis Lemaneiformis Alpha-1,4- Glucan Lyase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2050 b:48.8 occ:1.00 N A:THR555 3.2 24.6 1.0 NE A:ARG649 3.2 22.7 1.0 OG1 A:THR555 3.2 23.2 1.0 NH2 A:ARG649 3.5 23.2 1.0 N A:VAL556 3.7 25.4 1.0 CG2 A:VAL556 3.7 25.4 1.0 CD1 A:TYR266 3.8 25.6 1.0 CZ A:ARG649 3.8 23.0 1.0 CA A:THR555 3.9 24.2 1.0 C A:MET554 4.0 25.0 1.0 CB A:THR555 4.1 24.0 1.0 CB A:ARG649 4.1 22.8 1.0 C A:THR555 4.1 24.9 1.0 O A:ARG649 4.2 22.4 1.0 CA A:MET554 4.2 25.7 1.0 CG A:ARG649 4.2 22.6 1.0 CD A:ARG649 4.2 22.3 1.0 C A:ARG649 4.3 22.8 1.0 N A:MET554 4.3 24.5 1.0 N A:GLY650 4.4 23.1 1.0 CA A:GLY650 4.4 22.8 1.0 CE1 A:TYR266 4.4 25.9 1.0 CG2 A:THR555 4.5 24.1 1.0 CA A:VAL556 4.5 25.2 1.0 CB A:VAL556 4.7 25.1 1.0 O A:TYR238 4.7 21.3 1.0 CG A:TYR266 4.8 25.1 1.0 CB A:ALA558 4.9 25.7 1.0 CB A:TYR266 4.9 23.8 1.0 CA A:ARG649 4.9 22.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Gracilariopsis Lemaneiformis Alpha-1,4- Glucan Lyase


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 Gracilariopsis Lemaneiformis Alpha-1,4- Glucan Lyase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2042 b:57.0 occ:1.00 O B:HOH3416 2.7 41.6 1.0 NH2 B:ARG649 3.0 32.4 1.0 NE B:ARG649 3.0 31.3 1.0 OG1 B:THR555 3.2 31.8 1.0 CZ B:ARG649 3.5 31.9 1.0 CG2 B:VAL556 3.5 31.6 1.0 N B:THR555 3.6 32.6 1.0 CD1 B:TYR266 3.7 30.4 1.0 N B:VAL556 3.7 33.2 1.0 C B:THR555 4.1 33.3 1.0 CA B:THR555 4.1 33.1 1.0 CB B:ARG649 4.2 29.5 1.0 CB B:THR555 4.2 32.7 1.0 CD B:ARG649 4.2 30.6 1.0 CA B:GLY650 4.3 29.6 1.0 CB B:TYR266 4.3 29.5 1.0 C B:ARG649 4.3 29.3 1.0 N B:GLY650 4.3 29.4 1.0 CG B:ARG649 4.3 30.4 1.0 O B:ARG649 4.4 30.3 1.0 CA B:VAL556 4.4 32.5 1.0 O B:TYR238 4.4 27.7 1.0 CG B:TYR266 4.5 29.9 1.0 C B:MET554 4.5 34.0 1.0 CE1 B:TYR266 4.6 30.3 1.0 CB B:VAL556 4.6 32.2 1.0 NH1 B:ARG649 4.8 31.4 1.0 CA B:MET554 4.8 34.4 1.0 O B:TYR266 4.9 29.5 1.0 CA B:TYR266 4.9 29.1 1.0 CA B:ARG649 4.9 28.9 1.0 N B:MET554 4.9 34.7 1.0 O B:THR555 4.9 33.7 1.0

H.J.Rozeboom, S.Yu, S.Madrid, K.H.Kalk, R.Zhang, B.W.Dijkstra. Crystal Structure of Alpha-1,4-Glucan Lyase, A Unique Glycoside Hydrolase Family Member with A Novel Catalytic Mechanism. J.Biol.Chem. V. 288 26764 2013.
ISSN: ISSN 0021-9258
PubMed: 23902768
DOI: 10.1074/JBC.M113.485896