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Calcium in PDB 1ak9: Subtilisin Mutant 8321

Enzymatic activity of Subtilisin Mutant 8321

All present enzymatic activity of Subtilisin Mutant 8321:
3.4.21.62;

Protein crystallography data

The structure of Subtilisin Mutant 8321, PDB code: 1ak9 was solved by M.Whitlow, A.J.Howard, J.F.Wood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.640, 79.450, 37.260, 90.00, 114.53, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1ak9:

The structure of Subtilisin Mutant 8321 also contains other interesting chemical elements:

Sodium (Na) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Subtilisin Mutant 8321 (pdb code 1ak9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Subtilisin Mutant 8321, PDB code: 1ak9:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1ak9

Go back to Calcium Binding Sites List in 1ak9
Calcium binding site 1 out of 2 in the Subtilisin Mutant 8321


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Subtilisin Mutant 8321 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca295

b:7.3
occ:1.00
O A:ILE79 2.2 6.6 1.0
O A:LEU75 2.3 6.0 1.0
OD1 A:ASN77 2.3 10.1 1.0
OE1 A:GLN2 2.4 9.8 1.0
OD2 A:ASP41 2.4 7.2 1.0
OD1 A:ASP41 2.4 5.5 1.0
O A:VAL81 2.4 8.5 1.0
CG A:ASP41 2.8 7.4 1.0
CG A:ASN77 3.3 10.9 1.0
C A:ILE79 3.4 7.6 1.0
CD A:GLN2 3.4 9.8 1.0
C A:LEU75 3.5 6.2 1.0
C A:VAL81 3.6 8.4 1.0
N A:VAL81 3.7 8.4 1.0
ND2 A:ASN77 3.8 8.3 1.0
CG A:GLN2 3.8 9.5 1.0
N A:ASN77 4.0 10.5 1.0
C A:GLY80 4.1 8.9 1.0
N A:ILE79 4.2 10.3 1.0
CA A:VAL81 4.2 8.1 1.0
CB A:ASP41 4.3 7.7 1.0
N A:GLY80 4.3 7.1 1.0
CA A:GLY80 4.3 7.9 1.0
N A:LEU75 4.3 5.5 1.0
CA A:ILE79 4.4 9.2 1.0
CA A:LEU75 4.4 5.3 1.0
CG1 A:ILE79 4.4 11.0 1.0
N A:ASN76 4.5 7.6 1.0
CB A:ASN77 4.5 11.1 1.0
NE2 A:GLN2 4.6 9.9 1.0
CB A:GLN2 4.6 11.9 1.0
CA A:ASN77 4.6 11.0 1.0
N A:LEU82 4.6 8.5 1.0
C A:ASN77 4.7 11.8 1.0
CA A:ASN76 4.7 9.7 1.0
C A:ASN76 4.7 10.5 1.0
O A:ASN77 4.7 12.0 1.0
CB A:LEU75 4.7 3.8 1.0
C A:ALA74 4.8 6.1 1.0
O A:GLY80 4.8 10.3 1.0
CA A:LEU82 4.9 8.3 1.0
CB A:ALA74 5.0 6.0 1.0

Calcium binding site 2 out of 2 in 1ak9

Go back to Calcium Binding Sites List in 1ak9
Calcium binding site 2 out of 2 in the Subtilisin Mutant 8321


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Subtilisin Mutant 8321 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca297

b:4.3
occ:0.75
O A:HOH483 2.1 12.4 0.6
O A:GLU195 2.3 10.1 1.0
OD2 A:ASP197 2.4 9.7 1.0
O A:HOH340 2.4 12.6 0.7
OD1 A:ASP197 2.4 8.7 1.0
O A:HOH372 2.4 7.5 0.9
NA A:NA296 2.6 17.7 1.0
CG A:ASP197 2.7 7.2 1.0
O A:HOH491 3.2 14.4 0.5
C A:GLU195 3.3 9.3 1.0
O A:HOH353 3.3 10.6 0.6
CA A:GLU195 3.7 8.8 1.0
O A:VAL174 4.0 6.2 1.0
NH2 A:ARG247 4.0 12.4 1.0
CB A:ASP197 4.2 8.1 1.0
CB A:GLU195 4.3 7.4 1.0
N A:LEU196 4.4 8.7 1.0
N A:ASP197 4.5 7.3 1.0
C A:LEU196 4.5 7.8 1.0
O A:HOH303 4.6 11.4 0.7
CB A:ALA176 4.7 4.7 1.0
CA A:ASP197 4.8 6.3 1.0
O A:HOH490 4.8 12.2 0.3
N A:ALA176 4.8 5.2 1.0
O A:TYR171 4.8 11.7 1.0
O A:ALA169 4.8 8.2 1.0
O A:PRO172 4.8 9.6 1.0
CA A:PRO172 4.8 9.8 1.0
O A:LEU196 4.8 8.0 1.0
CA A:LEU196 4.9 8.6 1.0
O A:PRO194 5.0 9.0 1.0

Reference:

M.W.Pantoliano, M.Whitlow, J.F.Wood, S.W.Dodd, K.D.Hardman, M.L.Rollence, P.N.Bryan. Large Increases in General Stability For Subtilisin Bpn' Through Incremental Changes in the Free Energy of Unfolding. Biochemistry V. 28 7205 1989.
ISSN: ISSN 0006-2960
PubMed: 2684274
DOI: 10.1021/BI00444A012
Page generated: Thu Jul 11 05:56:49 2024

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