Calcium in PDB 6k52: Hyperthermophilic GH6 Cellobiohydrolase (HMCEL6A) From the Microbial Flora of A Japanese Hot Spring

All present enzymatic activity of Hyperthermophilic GH6 Cellobiohydrolase (HMCEL6A) From the Microbial Flora of A Japanese Hot Spring:
3.2.1.91;

The structure of Hyperthermophilic GH6 Cellobiohydrolase (HMCEL6A) From the Microbial Flora of A Japanese Hot Spring, PDB code: 6k52 was solved by S.Baba, M.Takeda, J.Okuma, Y.Hirose, A.Nishimura, M.Takata, K.Oda, D.Shibata, Y.Kondo, T.Kumasaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.91 / 1.68
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	141.168, 141.168, 223.210, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 19.6

The binding sites of Calcium atom in the Hyperthermophilic GH6 Cellobiohydrolase (HMCEL6A) From the Microbial Flora of A Japanese Hot Spring (pdb code 6k52). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Hyperthermophilic GH6 Cellobiohydrolase (HMCEL6A) From the Microbial Flora of A Japanese Hot Spring, PDB code: 6k52:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Hyperthermophilic GH6 Cellobiohydrolase (HMCEL6A) From the Microbial Flora of A Japanese Hot Spring


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Hyperthermophilic GH6 Cellobiohydrolase (HMCEL6A) From the Microbial Flora of A Japanese Hot Spring within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:20.4 occ:1.00 O A:ASP2 2.2 25.6 1.0 O A:THR280 2.3 20.1 1.0 O A:HOH616 2.3 36.3 1.0 O A:HOH643 2.4 18.9 1.0 O A:HOH962 2.5 26.9 1.0 OD1 A:ASP2 2.5 32.0 1.0 O A:HOH709 2.5 21.1 1.0 O A:HOH715 2.8 30.6 1.0 C A:ASP2 3.3 24.6 1.0 C A:THR280 3.5 19.7 1.0 CG A:ASP2 3.6 43.4 1.0 CA A:ASP2 3.8 25.5 1.0 CB A:THR280 4.2 24.2 1.0 CA A:THR280 4.3 20.3 1.0 CB A:ASP2 4.3 28.6 1.0 OD2 A:ASP350 4.4 17.1 1.0 N A:ASN3 4.5 18.8 1.0 O A:ASP218 4.5 18.2 1.0 N A:ILE281 4.5 19.1 1.0 O A:HOH1023 4.6 26.2 1.0 OD2 A:ASP2 4.6 41.1 1.0 O A:HOH791 4.6 25.7 1.0 O A:HOH663 4.6 27.7 1.0 C A:ILE281 4.6 19.3 1.0 CA A:ILE281 4.6 17.8 1.0 N A:GLY282 4.7 16.4 1.0 OD1 A:ASP350 4.7 17.4 1.0 O A:HOH991 4.7 32.7 1.0 O A:LEU1 4.8 21.5 1.0 CA A:ASN3 4.9 17.7 1.0 O A:HOH1038 5.0 44.0 1.0

Calcium binding site 2 out of 3 in the Hyperthermophilic GH6 Cellobiohydrolase (HMCEL6A) From the Microbial Flora of A Japanese Hot Spring


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Hyperthermophilic GH6 Cellobiohydrolase (HMCEL6A) From the Microbial Flora of A Japanese Hot Spring within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:16.2 occ:1.00 O A:HOH787 2.4 15.2 1.0 O A:HOH783 2.4 15.7 1.0 OD2 A:ASP260 2.4 16.8 1.0 OD2 A:ASP263 2.4 16.4 1.0 O A:HOH903 2.4 23.8 1.0 O A:HOH805 2.5 16.6 1.0 OD1 A:ASP263 2.7 18.6 1.0 CG A:ASP263 2.8 16.2 1.0 CG A:ASP260 3.3 17.2 1.0 OD1 A:ASP260 3.4 16.5 1.0 O A:HOH676 4.2 16.8 1.0 CB A:ASP263 4.3 14.6 1.0 O A:HOH798 4.4 21.2 1.0 O A:HOH732 4.5 36.8 1.0 O A:PRO236 4.6 18.5 1.0 CA A:PRO236 4.6 14.5 1.0 N A:GLU232 4.6 15.1 1.0 CB A:ASP260 4.7 15.2 1.0 CG A:GLU231 4.8 22.1 0.6 CG A:GLU231 4.8 22.2 0.5 O A:LEU235 4.8 15.7 1.0 O A:GLU232 4.8 16.9 1.0 C A:PRO236 5.0 15.3 1.0

Calcium binding site 3 out of 3 in the Hyperthermophilic GH6 Cellobiohydrolase (HMCEL6A) From the Microbial Flora of A Japanese Hot Spring


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Hyperthermophilic GH6 Cellobiohydrolase (HMCEL6A) From the Microbial Flora of A Japanese Hot Spring within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:23.2 occ:1.00 O A:HOH1002 2.3 26.6 1.0 O A:ALA113 2.4 12.5 1.0 O A:HOH781 2.5 20.6 1.0 O A:HOH1032 2.5 20.5 1.0 C A:ALA113 3.5 12.8 1.0 CA A:ALA113 4.3 12.3 1.0 CB A:ASP117 4.4 13.6 1.0 CD A:PRO118 4.4 13.4 1.0 CB A:ALA113 4.5 17.5 1.0 N A:GLU114 4.5 12.5 1.0 CA A:GLU114 4.7 12.4 1.0 O A:HOH1091 4.8 23.0 1.0 OD2 A:ASP117 4.8 15.7 1.0

M.Takeda, S.Baba, J.Okuma, Y.Hirose, A.Nishimura, M.Takata, K.Oda, D.Shibata, Y.Kondo, T.Kumasaka. A Hyperthermophilic Cellobiohydrolase Mined From A Hot Spring Metagenomic Data To Be Published.