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Calcium in PDB 1a2q: Subtilisin Bpn' Mutant 7186

Enzymatic activity of Subtilisin Bpn' Mutant 7186

All present enzymatic activity of Subtilisin Bpn' Mutant 7186:
3.4.21.62;

Protein crystallography data

The structure of Subtilisin Bpn' Mutant 7186, PDB code: 1a2q was solved by G.L.Gilliland, M.Whitlow, A.J.Howard, 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

Calcium Binding Sites:

The binding sites of Calcium atom in the Subtilisin Bpn' Mutant 7186 (pdb code 1a2q). 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 Bpn' Mutant 7186, PDB code: 1a2q:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1a2q

Go back to Calcium Binding Sites List in 1a2q
Calcium binding site 1 out of 2 in the Subtilisin Bpn' Mutant 7186


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Subtilisin Bpn' Mutant 7186 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca295

b:7.5
occ:1.00
O A:ILE79 2.3 9.2 1.0
O A:LEU75 2.3 8.2 1.0
OD1 A:ASP41 2.3 9.6 1.0
OD1 A:ASN77 2.4 10.7 1.0
OD2 A:ASP41 2.4 7.7 1.0
O A:VAL81 2.4 9.1 1.0
OE1 A:GLN2 2.4 11.9 1.0
CG A:ASP41 2.7 8.8 1.0
CG A:ASN77 3.4 11.9 1.0
CD A:GLN2 3.4 11.6 1.0
C A:ILE79 3.5 10.1 1.0
C A:LEU75 3.5 8.6 1.0
C A:VAL81 3.5 8.5 1.0
N A:VAL81 3.7 9.3 1.0
CG A:GLN2 3.8 12.7 1.0
ND2 A:ASN77 3.9 11.2 1.0
N A:ASN77 4.1 13.1 1.0
C A:GLY80 4.2 9.0 1.0
CB A:ASP41 4.2 8.4 1.0
CA A:VAL81 4.2 8.4 1.0
N A:GLY80 4.3 9.7 1.0
N A:LEU75 4.3 7.7 1.0
CA A:LEU75 4.4 8.2 1.0
CA A:GLY80 4.4 9.2 1.0
CG1 A:ILE79 4.4 10.6 1.0
N A:ILE79 4.5 11.4 1.0
N A:ASN76 4.5 9.7 1.0
CA A:ILE79 4.5 10.7 1.0
CA A:ASN76 4.6 11.5 1.0
NE2 A:GLN2 4.6 13.1 1.0
CB A:ASN77 4.6 12.4 1.0
N A:LEU82 4.6 8.5 1.0
CB A:GLN2 4.6 15.0 1.0
C A:ALA74 4.7 7.5 1.0
O A:ASN77 4.7 12.8 1.0
C A:ASN76 4.7 12.8 1.0
CA A:ASN77 4.8 12.6 1.0
CB A:LEU75 4.8 7.9 1.0
C A:ASN77 4.8 13.1 1.0
CA A:LEU82 4.8 7.7 1.0
O A:GLY80 4.9 8.6 1.0
CB A:ALA74 5.0 6.7 1.0

Calcium binding site 2 out of 2 in 1a2q

Go back to Calcium Binding Sites List in 1a2q
Calcium binding site 2 out of 2 in the Subtilisin Bpn' Mutant 7186


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Subtilisin Bpn' Mutant 7186 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca296

b:12.0
occ:0.60
O A:ALA169 2.2 9.0 1.0
O A:TYR171 2.2 9.5 1.0
O A:HOH340 2.3 13.6 1.0
O A:VAL174 2.3 7.7 1.0
O A:HOH372 2.7 14.6 0.8
C A:TYR171 3.2 9.5 1.0
C A:ALA169 3.4 9.6 1.0
C A:VAL174 3.5 7.2 1.0
C A:LYS170 3.8 11.2 1.0
N A:TYR171 3.9 10.4 1.0
OD2 A:ASP197 3.9 10.2 1.0
N A:PRO172 4.0 8.9 1.0
CA A:VAL174 4.0 7.6 1.0
N A:VAL174 4.0 7.1 1.0
CB A:VAL174 4.0 7.8 1.0
CB A:ALA176 4.0 7.0 1.0
CA A:PRO172 4.1 8.6 1.0
O A:LYS170 4.1 11.9 1.0
O A:GLU195 4.1 11.9 1.0
CA A:TYR171 4.1 9.9 1.0
C A:PRO172 4.2 7.9 1.0
N A:LYS170 4.2 10.1 1.0
O A:PRO172 4.2 8.2 1.0
N A:ALA176 4.3 6.4 1.0
CA A:LYS170 4.3 10.8 1.0
CA A:ALA169 4.4 8.9 1.0
N A:ILE175 4.5 6.4 1.0
NH2 A:ARG247 4.6 10.7 1.0
C A:ILE175 4.7 6.6 1.0
CG1 A:VAL174 4.8 8.5 1.0
CA A:ILE175 4.8 6.5 1.0
CB A:GLU195 4.8 11.0 1.0
O A:PRO168 4.8 8.0 1.0
CA A:ALA176 4.8 6.7 1.0
N A:SER173 4.9 8.2 1.0
CG A:ASP197 5.0 11.1 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: Sat Dec 12 02:47:43 2020

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