Calcium in PDB 6i1t: Calcium Structure of Trichoderma Reesei Carbohydrate-Active Enzymes Family AA12

The structure of Calcium Structure of Trichoderma Reesei Carbohydrate-Active Enzymes Family AA12, PDB code: 6i1t was solved by A.Turbe-Doan, E.Record, V.Lombard, R.Kumar, B.Henrissat, A.Levasseur, M.L.Garron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.88 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	82.957, 82.957, 146.905, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23.3

The binding sites of Calcium atom in the Calcium Structure of Trichoderma Reesei Carbohydrate-Active Enzymes Family AA12 (pdb code 6i1t). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Calcium Structure of Trichoderma Reesei Carbohydrate-Active Enzymes Family AA12, PDB code: 6i1t:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Calcium Structure of Trichoderma Reesei Carbohydrate-Active Enzymes Family AA12


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Calcium Structure of Trichoderma Reesei Carbohydrate-Active Enzymes Family AA12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca510 b:30.0 occ:1.00 NE2 A:GLN301 2.3 28.8 1.0 O A:HOH690 2.3 31.9 1.0 O A:TYR276 2.4 27.0 1.0 O A:HOH676 2.5 32.6 1.0 OE2 A:GLU259 2.5 26.6 1.0 O A:HOH645 2.5 32.7 1.0 OE1 A:GLU259 2.6 29.5 1.0 CD A:GLU259 2.9 31.2 1.0 CD A:GLN301 3.4 36.9 1.0 C A:TYR276 3.5 36.1 1.0 OE1 A:GLN301 3.9 37.2 1.0 CB A:TYR276 4.2 30.0 1.0 CA A:TYR276 4.4 32.6 1.0 CG A:GLU259 4.4 29.5 1.0 N A:GLY277 4.5 33.6 1.0 O A:HOH700 4.5 30.7 1.0 ND2 A:ASN261 4.6 26.3 1.0 O A:GLY218 4.6 28.2 1.0 CG A:GLN301 4.6 33.5 1.0 O A:VAL321 4.6 29.4 1.0 O A:CYS281 4.7 33.0 1.0 CA A:GLY277 4.7 35.9 1.0 OD1 A:ASN261 4.7 29.9 1.0 CD A:PRO323 4.8 31.8 1.0 OE2 A:GLU238 4.8 32.8 1.0 O A:HOH615 4.8 32.8 1.0 N A:TYR278 4.9 33.8 1.0

Calcium binding site 2 out of 2 in the Calcium Structure of Trichoderma Reesei Carbohydrate-Active Enzymes Family AA12


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Calcium Structure of Trichoderma Reesei Carbohydrate-Active Enzymes Family AA12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca511 b:33.9 occ:1.00 O A:HOH686 2.2 37.8 1.0 O A:HOH617 2.3 44.9 1.0 OD1 A:ASP242 2.4 35.8 1.0 O A:SER240 2.5 31.6 1.0 CG A:ASP242 3.5 38.8 1.0 C A:SER240 3.6 31.5 1.0 OD2 A:ASP242 4.0 37.3 1.0 N A:SER240 4.1 25.9 1.0 NH1 A:ARG220 4.1 34.1 1.0 C A:VAL241 4.2 29.2 1.0 O A:VAL241 4.2 32.6 1.0 N A:ASP242 4.3 32.7 1.0 ND1 A:HIS330 4.3 36.9 1.0 C A:ASN239 4.4 24.8 1.0 CA A:SER240 4.4 29.1 1.0 OE2 A:GLU258 4.5 34.1 1.0 CZ A:ARG220 4.6 41.7 1.0 N A:VAL241 4.6 30.1 1.0 CA A:ASP242 4.6 35.2 1.0 CB A:ASP242 4.7 35.0 1.0 NH2 A:ARG220 4.7 36.8 1.0 O A:ASN239 4.7 28.1 1.0 OE1 A:GLU258 4.7 35.3 1.0 CB A:ASN239 4.8 32.3 1.0 CA A:VAL241 4.8 33.1 1.0 CA A:ASN239 4.9 27.5 1.0 O A:HOH610 4.9 33.5 1.0 CE1 A:HIS330 4.9 39.5 1.0

A.Turbe-Doan, E.Record, V.Lombard, R.Kumar, A.Levasseur, B.Henrissat, M.L.Garron. The Functional and Structural Characterization Oftrichoderma Reeseidehydrogenase Belonging to the Pqq Dependent Family of Carbohydrate-Active Enzymes Family AA12. Appl.Environ.Microbiol. 2019.
ISSN: ESSN 1098-5336
PubMed: 31604773
DOI: 10.1128/AEM.00964-19