Calcium in PDB 6pak: Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis

All present enzymatic activity of Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis:
3.4.21.62;

The structure of Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis, PDB code: 6pak was solved by H.Tang, K.Shi, H.Aihara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.22 / 1.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.247, 80.475, 86.920, 90.00, 90.00, 90.00
R / Rfree (%)	23.9 / 28.6

The binding sites of Calcium atom in the Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis (pdb code 6pak). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis, PDB code: 6pak:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:16.3 occ:1.00 O A:VAL81 2.3 16.3 1.0 OD1 A:ASP41 2.3 29.9 1.0 OE1 A:GLN2 2.3 25.8 1.0 O A:LEU75 2.4 19.7 1.0 OD1 A:ASN77 2.4 16.2 1.0 O A:ILE79 2.4 15.8 1.0 OD2 A:ASP41 2.6 28.2 1.0 CG A:ASP41 2.8 39.8 1.0 CG A:ASN77 3.4 16.4 1.0 HG3 A:GLN2 3.4 44.3 1.0 CD A:GLN2 3.4 30.6 1.0 H A:ASN77 3.4 18.6 1.0 H A:VAL81 3.4 35.5 1.0 C A:VAL81 3.5 16.2 1.0 C A:LEU75 3.5 23.4 1.0 HD21 A:ASN77 3.5 35.4 1.0 C A:ILE79 3.6 21.0 1.0 HG13 A:ILE79 3.6 22.3 1.0 N A:VAL81 3.7 29.2 1.0 H A:ILE79 3.7 37.8 1.0 ND2 A:ASN77 3.8 29.1 1.0 CG A:GLN2 3.9 36.6 1.0 N A:ASN77 4.0 17.1 1.0 HA A:ASN76 4.0 19.3 1.0 HA3 A:GLY80 4.0 26.9 1.0 C A:GLY80 4.1 22.0 1.0 HB1 A:ALA74 4.1 23.6 1.0 HB2 A:LEU75 4.2 50.3 1.0 HA A:LEU82 4.2 26.2 1.0 CA A:VAL81 4.2 14.5 1.0 HB2 A:GLN2 4.2 31.2 1.0 H A:LEU75 4.3 31.7 1.0 N A:LEU75 4.3 26.0 1.0 CB A:ASP41 4.3 24.0 1.0 N A:ILE79 4.4 31.1 1.0 CA A:LEU75 4.4 38.8 1.0 CA A:GLY80 4.4 22.0 1.0 N A:GLY80 4.5 19.8 1.0 N A:ASN76 4.5 23.1 1.0 CG1 A:ILE79 4.5 18.2 1.0 NE2 A:GLN2 4.5 18.9 1.0 CA A:ILE79 4.6 20.0 1.0 CA A:ASN76 4.6 16.5 1.0 N A:LEU82 4.6 28.6 1.0 CB A:ASN77 4.6 17.3 1.0 HA A:VAL81 4.6 15.7 1.0 CB A:GLN2 4.6 25.6 1.0 HA A:ASP41 4.6 18.6 1.0 CA A:ASN77 4.6 19.6 1.0 HD22 A:ASN77 4.6 35.4 1.0 HB2 A:ASP41 4.7 29.3 1.0 HG12 A:ILE79 4.7 22.3 1.0 HG2 A:GLN2 4.7 44.3 1.0 C A:ASN76 4.7 17.5 1.0 C A:ASN77 4.7 18.0 1.0 HE22 A:GLN2 4.7 23.2 1.0 C A:ALA74 4.7 18.1 1.0 O A:GLY80 4.8 22.2 1.0 HB3 A:ASP41 4.8 29.3 1.0 O A:ASN77 4.8 36.8 1.0 CB A:LEU75 4.8 41.5 1.0 CA A:LEU82 4.8 21.5 1.0 HB2 A:LEU82 4.9 17.7 1.0 HG23 A:VAL81 4.9 14.2 1.0 CB A:ALA74 5.0 19.3 1.0

Calcium binding site 2 out of 2 in the Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:58.0 occ:1.00 O B:VAL81 2.3 17.9 1.0 O B:ILE79 2.3 17.5 1.0 OE1 B:GLN2 2.3 23.6 1.0 OD1 B:ASN77 2.4 21.6 1.0 O B:LEU75 2.4 23.1 1.0 OD2 B:ASP41 2.5 29.2 1.0 OD1 B:ASP41 2.5 44.5 1.0 CG B:ASP41 2.9 44.0 1.0 HG3 B:GLN2 3.2 25.3 1.0 CD B:GLN2 3.3 23.2 1.0 CG B:ASN77 3.4 18.1 1.0 H B:VAL81 3.4 30.5 1.0 H B:ASN77 3.4 19.6 1.0 C B:VAL81 3.5 15.7 1.0 C B:ILE79 3.5 25.5 1.0 HD21 B:ASN77 3.6 28.9 1.0 HG13 B:ILE79 3.6 21.8 1.0 C B:LEU75 3.6 25.7 1.0 N B:VAL81 3.6 25.0 1.0 H B:ILE79 3.6 29.8 1.0 CG B:GLN2 3.7 23.0 1.0 ND2 B:ASN77 3.8 23.7 1.0 HA3 B:GLY80 4.0 37.7 1.0 N B:ASN77 4.0 18.2 1.0 HA B:ASN76 4.0 22.0 1.0 C B:GLY80 4.0 32.3 1.0 HA B:LEU82 4.2 22.8 1.0 HB2 B:GLN2 4.2 26.8 1.0 CA B:VAL81 4.2 20.2 1.0 HB2 B:LEU75 4.2 23.9 1.0 N B:ILE79 4.3 24.4 1.0 CA B:GLY80 4.3 31.0 1.0 HB1 B:ALA74 4.3 28.3 1.0 H B:LEU75 4.4 21.1 1.0 N B:GLY80 4.4 24.0 1.0 N B:LEU75 4.4 17.2 1.0 CB B:ASP41 4.4 23.2 1.0 CG1 B:ILE79 4.4 18.5 1.0 CA B:ILE79 4.5 24.9 1.0 CA B:LEU75 4.5 17.7 1.0 NE2 B:GLN2 4.5 22.0 1.0 HG2 B:GLN2 4.5 25.3 1.0 HG12 B:ILE79 4.5 21.8 1.0 N B:ASN76 4.5 16.9 1.0 N B:LEU82 4.6 27.9 1.0 CB B:GLN2 4.6 24.2 1.0 CB B:ASN77 4.6 19.9 1.0 CA B:ASN76 4.6 18.0 1.0 HA B:VAL81 4.6 24.7 1.0 CA B:ASN77 4.6 19.1 1.0 HD22 B:ASN77 4.6 28.9 1.0 C B:ASN77 4.7 19.6 1.0 HE22 B:GLN2 4.7 26.8 1.0 C B:ASN76 4.7 19.4 1.0 O B:GLY80 4.7 17.3 1.0 O B:ASN77 4.7 25.4 1.0 HB2 B:ASP41 4.7 28.2 1.0 CA B:LEU82 4.8 18.6 1.0 HB2 B:LEU82 4.8 20.4 1.0 HA B:ASP41 4.8 33.8 1.0 HB3 B:ASP41 4.8 28.2 1.0 C B:ALA74 4.8 18.9 1.0 CB B:LEU75 4.8 19.6 1.0 HD13 B:LEU82 4.9 24.9 1.0 HA B:GLN2 4.9 38.9 1.0 HG23 B:VAL81 5.0 22.4 1.0

H.Tang, K.Shi, C.Shi, H.Aihara, J.Zhang, G.Du. Enhancing Subtilisin Thermostability Through A Modified Normalized B-Factor Analysis and Loop-Grafting Strategy. J.Biol.Chem. 2019.
ISSN: ESSN 1083-351X
PubMed: 31615894
DOI: 10.1074/JBC.RA119.010658