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Calcium in PDB 1sbn: Refined Crystal Structures of Subtilisin Novo in Complex with Wild- Type and Two Mutant Eglins. Comparison with Other Serine Proteinase Inhibitor Complexes

Enzymatic activity of Refined Crystal Structures of Subtilisin Novo in Complex with Wild- Type and Two Mutant Eglins. Comparison with Other Serine Proteinase Inhibitor Complexes

All present enzymatic activity of Refined Crystal Structures of Subtilisin Novo in Complex with Wild- Type and Two Mutant Eglins. Comparison with Other Serine Proteinase Inhibitor Complexes:
3.4.21.62;

Protein crystallography data

The structure of Refined Crystal Structures of Subtilisin Novo in Complex with Wild- Type and Two Mutant Eglins. Comparison with Other Serine Proteinase Inhibitor Complexes, PDB code: 1sbn was solved by M.G.Gruetter, D.W.Heinz, J.P.Priestle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 5.00 / 2.10
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 84.900, 84.900, 89.100, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Refined Crystal Structures of Subtilisin Novo in Complex with Wild- Type and Two Mutant Eglins. Comparison with Other Serine Proteinase Inhibitor Complexes (pdb code 1sbn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Refined Crystal Structures of Subtilisin Novo in Complex with Wild- Type and Two Mutant Eglins. Comparison with Other Serine Proteinase Inhibitor Complexes, PDB code: 1sbn:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1sbn

Go back to Calcium Binding Sites List in 1sbn
Calcium binding site 1 out of 2 in the Refined Crystal Structures of Subtilisin Novo in Complex with Wild- Type and Two Mutant Eglins. Comparison with Other Serine Proteinase Inhibitor Complexes


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Refined Crystal Structures of Subtilisin Novo in Complex with Wild- Type and Two Mutant Eglins. Comparison with Other Serine Proteinase Inhibitor Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca276

b:32.6
occ:1.00
 O E:VAL174 2.5 30.3 1.0
O E:HOH366 2.7 37.2 1.0
O E:GLY169 2.8 32.8 1.0
O E:TYR171 3.0 34.8 1.0
O E:GLU195 3.0 25.4 1.0
OD2 E:ASP197 3.5 54.6 1.0
O E:LYS170 3.5 44.7 1.0
C E:VAL174 3.6 27.6 1.0
CB E:ALA176 3.6 19.2 1.0
C E:TYR171 3.9 29.5 1.0
N E:ALA176 3.9 18.6 1.0
C E:GLY169 4.0 25.8 1.0
C E:GLU195 4.1 21.3 1.0
C E:LYS170 4.1 38.6 1.0
CB E:GLU195 4.3 18.8 1.0
NH2 E:ARG247 4.3 39.5 1.0
CA E:GLU195 4.4 23.6 1.0
N E:ILE175 4.4 29.6 1.0
CA E:ALA176 4.5 19.8 1.0
CA E:PRO172 4.5 33.4 1.0
N E:PRO172 4.5 29.4 1.0
CA E:VAL174 4.6 25.3 1.0
CG E:ASP197 4.6 56.9 1.0
O E:PRO172 4.6 32.6 1.0
CA E:ILE175 4.6 25.9 1.0
C E:ILE175 4.6 20.2 1.0
N E:TYR171 4.6 36.2 1.0
CB E:VAL174 4.7 38.3 1.0
C E:PRO172 4.7 33.2 1.0
N E:VAL174 4.7 28.3 1.0
CA E:LYS170 4.8 28.1 1.0
CA E:TYR171 4.8 32.3 1.0
N E:LYS170 4.9 28.1 1.0
CA E:GLY169 4.9 20.9 1.0

Calcium binding site 2 out of 2 in 1sbn

Go back to Calcium Binding Sites List in 1sbn
Calcium binding site 2 out of 2 in the Refined Crystal Structures of Subtilisin Novo in Complex with Wild- Type and Two Mutant Eglins. Comparison with Other Serine Proteinase Inhibitor Complexes


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Refined Crystal Structures of Subtilisin Novo in Complex with Wild- Type and Two Mutant Eglins. Comparison with Other Serine Proteinase Inhibitor Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca277

b:30.3
occ:1.00
 O E:ILE79 2.1 22.5 1.0
O E:LEU75 2.3 29.5 1.0
O E:VAL81 2.5 20.6 1.0
OE1 E:GLN2 2.5 29.3 1.0
OD1 E:ASP41 2.5 16.0 1.0
OD1 E:ASN77 2.5 53.1 1.0
OD2 E:ASP41 2.9 22.8 1.0
CG E:ASP41 3.1 17.8 1.0
C E:ILE79 3.3 19.1 1.0
CD E:GLN2 3.5 24.1 1.0
C E:LEU75 3.5 30.4 1.0
CG E:ASN77 3.6 24.4 1.0
C E:VAL81 3.6 18.0 1.0
N E:VAL81 3.9 23.2 1.0
CG E:GLN2 3.9 26.1 1.0
N E:ASN77 4.1 24.2 1.0
C E:GLY80 4.1 23.8 1.0
ND2 E:ASN77 4.2 23.8 1.0
N E:GLY80 4.2 27.0 1.0
CA E:GLY80 4.3 25.9 1.0
CA E:LEU75 4.3 27.6 1.0
N E:ILE79 4.4 35.8 1.0
CA E:VAL81 4.4 19.6 1.0
N E:LEU75 4.4 27.9 1.0
CA E:ILE79 4.4 26.0 1.0
CB E:GLN2 4.5 13.2 1.0
N E:ASN76 4.6 25.7 1.0
C E:ASN77 4.6 20.1 1.0
CB E:ASP41 4.6 21.9 1.0
N E:LEU82 4.6 16.5 1.0
CA E:ASN77 4.6 18.1 1.0
NE2 E:GLN2 4.6 24.3 1.0
O E:GLY80 4.7 24.3 1.0
CG1 E:ILE79 4.7 23.8 1.0
O E:ASN77 4.7 27.2 1.0
CB E:ASN77 4.7 23.6 1.0
CA E:ASN76 4.8 24.9 1.0
CB E:LEU75 4.8 36.0 1.0
CA E:LEU82 4.8 15.1 1.0
C E:ASN76 4.8 24.6 1.0
C E:ALA74 4.9 23.4 1.0

Reference:

D.W.Heinz, J.P.Priestle, J.Rahuel, K.S.Wilson, M.G.Grutter. Refined Crystal Structures of Subtilisin Novo in Complex with Wild-Type and Two Mutant Eglins. Comparison with Other Serine Proteinase Inhibitor Complexes. J.Mol.Biol. V. 217 353 1991.
ISSN: ISSN 0022-2836
PubMed: 1992167
DOI: 10.1016/0022-2836(91)90549-L
Page generated: Thu Jul 11 22:32:32 2024

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