Calcium in PDB 1q5p: S156E/S166D Variant of Bacillus Lentus Subtilisin

All present enzymatic activity of S156E/S166D Variant of Bacillus Lentus Subtilisin:
3.4.21.62;

The structure of S156E/S166D Variant of Bacillus Lentus Subtilisin, PDB code: 1q5p was solved by R.R.Bott, G.Chan, B.Domingo, G.Ganshaw, C.Y.Hsia, M.Knapp, C.J.Murray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.450, 61.500, 75.300, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the S156E/S166D Variant of Bacillus Lentus Subtilisin (pdb code 1q5p). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the S156E/S166D Variant of Bacillus Lentus Subtilisin, PDB code: 1q5p:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the S156E/S166D Variant of Bacillus Lentus Subtilisin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of S156E/S166D Variant of Bacillus Lentus Subtilisin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca271 b:0.0 occ:1.00 O A:LEU73 2.3 0.0 1.0 O A:ILE77 2.3 0.0 1.0 OE1 A:GLN2 2.4 0.0 1.0 O A:VAL79 2.4 0.0 1.0 OD1 A:ASN75 2.4 0.0 1.0 OD2 A:ASP40 2.5 0.0 1.0 OD1 A:ASP40 2.5 0.0 1.0 CG A:ASP40 2.8 0.0 1.0 CG A:ASN75 3.4 0.0 1.0 CD A:GLN2 3.4 0.0 1.0 C A:LEU73 3.5 0.0 1.0 C A:ILE77 3.5 0.0 1.0 C A:VAL79 3.6 0.0 1.0 N A:VAL79 3.7 0.0 1.0 ND2 A:ASN75 3.9 0.0 1.0 CG A:GLN2 3.9 0.0 1.0 N A:ASN75 4.0 0.0 1.0 C A:GLY78 4.1 0.0 1.0 CA A:VAL79 4.3 0.0 1.0 N A:LEU73 4.3 0.0 1.0 N A:ILE77 4.3 0.0 1.0 CB A:ASP40 4.3 0.0 1.0 N A:GLY78 4.4 0.0 1.0 CA A:LEU73 4.4 0.0 1.0 CA A:GLY78 4.4 0.0 1.0 N A:ASP74 4.5 0.0 1.0 CG1 A:ILE77 4.5 0.0 1.0 CA A:ILE77 4.5 0.0 1.0 NE2 A:GLN2 4.6 0.0 1.0 CA A:ASP74 4.6 0.0 1.0 N A:LEU80 4.6 0.0 1.0 CB A:ASN75 4.6 0.0 1.0 CB A:GLN2 4.7 0.0 1.0 CA A:ASN75 4.7 0.0 1.0 CB A:LEU73 4.7 0.0 1.0 O A:ASN75 4.7 0.0 1.0 C A:ALA72 4.7 0.0 1.0 C A:ASN75 4.8 0.0 1.0 C A:ASP74 4.8 0.0 1.0 O A:GLY78 4.8 0.0 1.0 CA A:LEU80 4.8 0.0 1.0

Calcium binding site 2 out of 2 in the S156E/S166D Variant of Bacillus Lentus Subtilisin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of S156E/S166D Variant of Bacillus Lentus Subtilisin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca272 b:0.0 occ:1.00 O A:ALA163 2.8 0.0 1.0 O A:GLY189 2.8 0.0 1.0 O A:ALA168 2.9 0.0 1.0 O A:HOH370 2.9 0.0 1.0 OD2 A:ASP191 3.1 0.0 1.0 O A:TYR165 3.1 0.0 1.0 C A:GLY189 3.8 0.0 1.0 CB A:ALA170 3.8 0.0 1.0 NH2 A:ARG241 3.9 0.0 1.0 O A:ARG164 3.9 0.0 1.0 O A:HOH369 3.9 0.0 1.0 C A:ALA163 4.0 0.0 1.0 C A:ALA168 4.0 0.0 1.0 CA A:GLY189 4.0 0.0 1.0 C A:TYR165 4.1 0.0 1.0 C A:ARG164 4.1 0.0 1.0 N A:ALA170 4.2 0.0 1.0 CG A:ASP191 4.2 0.0 1.0 CA A:ARG164 4.5 0.0 1.0 N A:TYR165 4.6 0.0 1.0 OD1 A:ASP191 4.6 0.0 1.0 CA A:ALA170 4.7 0.0 1.0 CA A:ALA166 4.7 0.0 1.0 N A:ARG164 4.7 0.0 1.0 O A:ALA166 4.7 0.0 1.0 N A:ALA166 4.7 0.0 1.0 N A:MET169 4.8 0.0 1.0 C A:ALA166 4.8 0.0 1.0 CD1 A:ILE159 4.8 0.0 1.0 CA A:MET169 4.9 0.0 1.0 CA A:ALA168 4.9 0.0 1.0 C A:MET169 4.9 0.0 1.0 CB A:ALA168 4.9 0.0 1.0 N A:ALA168 4.9 0.0 1.0 N A:LEU190 5.0 0.0 1.0 CA A:TYR165 5.0 0.0 1.0 CZ A:ARG241 5.0 0.0 1.0

R.R.Bott, G.Chan, B.Domingo, G.Ganshaw, C.Y.Hsia, M.Knapp, C.J.Murray. Do Enzymes Change the Nature of Transition States? Mapping the Transition State For General Acid-Base Catalysis of A Serine Protease Biochemistry V. 42 10545 2003.
ISSN: ISSN 0006-2960
PubMed: 12962477
DOI: 10.1021/BI034773M