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Calcium in PDB 1sib: 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: 1sib 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 / 2.40
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 1sib). 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: 1sib:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1sib

Go back to Calcium Binding Sites List in 1sib
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:51.4
occ:1.00
 O E:VAL174 2.5 42.7 1.0
O E:GLY169 2.7 41.0 1.0
O E:GLU195 3.1 37.0 1.0
O E:TYR171 3.1 47.6 1.0
CB E:ALA176 3.5 27.2 1.0
C E:VAL174 3.6 42.0 1.0
N E:ALA176 3.7 22.7 1.0
OD2 E:ASP197 3.7 51.4 1.0
C E:TYR171 3.8 42.5 1.0
C E:GLY169 3.9 37.7 1.0
C E:LYS170 4.1 46.7 1.0
C E:GLU195 4.1 35.6 1.0
O E:LYS170 4.2 47.3 1.0
CB E:GLU195 4.2 41.9 1.0
N E:TYR171 4.2 46.2 1.0
CA E:ALA176 4.2 22.7 1.0
NH2 E:ARG247 4.3 43.8 1.0
CA E:GLU195 4.4 30.8 1.0
N E:ILE175 4.5 42.8 1.0
CA E:LYS170 4.5 39.1 1.0
N E:PRO172 4.5 43.1 1.0
CA E:VAL174 4.5 40.9 1.0
CG E:ASP197 4.5 41.6 1.0
C E:ILE175 4.5 32.3 1.0
O E:PRO172 4.5 44.4 1.0
CA E:ILE175 4.6 37.1 1.0
CA E:PRO172 4.6 44.8 1.0
CA E:TYR171 4.6 42.2 1.0
CB E:VAL174 4.7 45.3 1.0
N E:VAL174 4.7 42.6 1.0
N E:LYS170 4.7 34.4 1.0
C E:PRO172 4.8 45.3 1.0
CA E:GLY169 4.9 36.5 1.0

Calcium binding site 2 out of 2 in 1sib

Go back to Calcium Binding Sites List in 1sib
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:53.3
occ:1.00
 O E:VAL81 2.5 31.6 1.0
O E:LEU75 2.5 29.8 1.0
O E:ILE79 2.5 29.1 1.0
OD1 E:ASP41 2.5 39.5 1.0
OD2 E:ASP41 2.9 38.2 1.0
OE1 E:GLN2 3.0 44.8 1.0
CG E:ASP41 3.0 3.3 1.0
OD1 E:ASN77 3.2 41.9 1.0
C E:VAL81 3.6 23.3 1.0
C E:ILE79 3.6 28.6 1.0
C E:LEU75 3.7 27.4 1.0
CG E:GLN2 3.7 20.6 1.0
CD E:GLN2 3.7 27.0 1.0
CG E:ASN77 3.9 46.3 1.0
N E:VAL81 3.9 26.8 1.0
N E:ASN77 4.0 34.1 1.0
C E:GLY80 4.1 29.9 1.0
CA E:VAL81 4.3 29.4 1.0
CB E:ASP41 4.4 29.9 1.0
N E:GLY80 4.4 32.5 1.0
CA E:GLY80 4.5 29.0 1.0
N E:ILE79 4.5 45.2 1.0
CA E:ASN77 4.6 32.4 1.0
ND2 E:ASN77 4.6 54.5 1.0
CA E:LEU75 4.6 34.2 1.0
C E:ASN77 4.6 33.6 1.0
O E:GLY80 4.6 32.2 1.0
N E:ASN76 4.6 28.7 1.0
N E:LEU82 4.6 22.6 1.0
N E:LEU75 4.6 36.0 1.0
CB E:GLN2 4.6 24.1 1.0
CB E:ASN77 4.7 32.7 1.0
CA E:ILE79 4.7 35.1 1.0
CA E:ASN76 4.7 30.7 1.0
C E:ASN76 4.7 32.3 1.0
CG1 E:ILE79 4.7 35.1 1.0
O E:ASN77 4.7 37.9 1.0
O E:ASP41 4.9 35.4 1.0
N E:SER78 5.0 34.2 1.0
CA E:LEU82 5.0 24.6 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: Tue Jul 8 01:57:37 2025

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