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Calcium in PDB 2sec: Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo

Enzymatic activity of Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo

All present enzymatic activity of Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo:
3.4.21.62;

Protein crystallography data

The structure of Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo, PDB code: 2sec was solved by C.A.Mcphalen, M.N.G.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.80
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 38.310, 41.410, 56.500, 69.51, 83.67, 75.32
R / Rfree (%) n/a / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo (pdb code 2sec). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo, PDB code: 2sec:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 2sec

Go back to Calcium Binding Sites List in 2sec
Calcium binding site 1 out of 3 in the Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca276

b:7.9
occ:1.00
 O E:LEU75 2.2 7.8 1.0
O E:VAL81 2.3 8.3 1.0
OD1 E:ASP41 2.4 8.5 1.0
ND2 E:ASN77 2.4 5.2 1.0
OE1 E:GLN2 2.4 12.8 1.0
O E:THR79 2.4 9.4 1.0
OD2 E:ASP41 2.5 7.7 1.0
CG E:ASP41 2.8 7.4 1.0
CG E:ASN77 3.4 9.6 1.0
C E:LEU75 3.4 7.5 1.0
CD E:GLN2 3.4 10.0 1.0
C E:VAL81 3.5 6.1 1.0
C E:THR79 3.6 12.2 1.0
N E:VAL81 3.7 5.9 1.0
OD1 E:ASN77 3.8 15.5 1.0
CG E:GLN2 3.9 7.4 1.0
N E:ASN77 4.0 9.3 1.0
C E:GLY80 4.1 8.6 1.0
CA E:VAL81 4.2 4.6 1.0
N E:LEU75 4.3 5.2 1.0
CA E:LEU75 4.3 8.7 1.0
CB E:ASP41 4.3 7.1 1.0
N E:THR79 4.4 12.1 1.0
CA E:GLY80 4.4 11.0 1.0
N E:ASP76 4.4 7.9 1.0
N E:GLY80 4.5 9.1 1.0
N E:LEU82 4.5 7.9 1.0
CA E:ASP76 4.5 8.6 1.0
CG2 E:THR79 4.6 16.8 1.0
CB E:ASN77 4.6 11.0 1.0
CA E:THR79 4.6 12.9 1.0
NE2 E:GLN2 4.6 10.6 1.0
CA E:ASN77 4.7 11.8 1.0
CB E:LEU75 4.7 7.3 1.0
C E:ASP76 4.7 11.1 1.0
C E:ALA74 4.7 7.3 1.0
CB E:GLN2 4.7 10.1 1.0
C E:ASN77 4.8 11.3 1.0
CA E:LEU82 4.8 8.3 1.0
O E:GLY80 4.9 9.2 1.0
O E:ASN77 4.9 13.6 1.0
CB E:ALA74 4.9 5.2 1.0

Calcium binding site 2 out of 3 in 2sec

Go back to Calcium Binding Sites List in 2sec
Calcium binding site 2 out of 3 in the Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca277

b:9.9
occ:0.91
 O E:HOH430 2.5 23.1 0.9
O E:VAL174 2.5 10.0 1.0
O E:TYR171 2.6 8.9 1.0
O E:ALA169 2.6 8.1 1.0
O E:HOH361 2.6 12.5 1.0
C E:TYR171 3.5 7.6 1.0
O E:LYS170 3.7 10.4 1.0
C E:VAL174 3.7 7.1 1.0
C E:LYS170 3.8 9.8 1.0
C E:ALA169 3.8 7.5 1.0
N E:TYR171 4.0 7.2 1.0
O E:GLU195 4.1 12.7 1.0
CA E:ASP172 4.2 9.8 1.0
CB E:GLU195 4.2 8.3 1.0
N E:ASP172 4.2 8.4 1.0
CA E:LYS170 4.2 7.1 1.0
N E:ALA176 4.3 6.4 1.0
NH1 E:ARG247 4.3 11.1 1.0
CB E:ALA176 4.3 5.6 1.0
N E:VAL174 4.4 7.2 1.0
CA E:TYR171 4.4 7.7 1.0
CA E:VAL174 4.4 5.9 1.0
C E:ASP172 4.4 8.0 1.0
N E:LYS170 4.5 9.1 1.0
CB E:VAL174 4.5 3.9 1.0
O E:ASP172 4.6 11.2 1.0
OE2 E:GLU197 4.7 11.8 1.0
N E:ILE175 4.8 6.4 1.0
CG E:GLU195 4.8 13.4 1.0
CA E:ALA169 4.9 7.2 1.0
C E:ILE175 4.9 8.5 1.0
CA E:ILE175 4.9 3.8 1.0
CA E:ALA176 4.9 6.5 1.0
C E:GLU195 5.0 9.6 1.0

Calcium binding site 3 out of 3 in 2sec

Go back to Calcium Binding Sites List in 2sec
Calcium binding site 3 out of 3 in the Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes. Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca278

b:13.0
occ:0.88
 O E:LEU42 2.6 13.6 1.0
O E:HIS39 2.6 8.5 1.0
O E:ALA37 2.8 10.5 1.0
O E:HOH463 3.1 28.0 0.8
O E:HOH373 3.2 10.9 0.9
C E:HIS39 3.7 6.4 1.0
C E:LEU42 3.8 10.2 1.0
C E:SER38 3.9 11.3 1.0
C E:ALA37 4.0 11.0 1.0
O E:SER38 4.1 9.2 1.0
N E:HIS39 4.1 9.2 1.0
CA E:SER38 4.2 11.6 1.0
N E:PRO40 4.5 10.1 1.0
CA E:HIS39 4.5 7.6 1.0
CA E:PRO40 4.6 10.8 1.0
N E:LEU42 4.6 7.9 1.0
N E:SER38 4.6 8.5 1.0
N E:ASN43 4.7 8.2 1.0
CA E:LEU42 4.7 9.5 1.0
CA E:ASN43 4.7 7.6 1.0
C E:PRO40 4.8 10.8 1.0
O E:PRO40 4.9 12.1 1.0

Reference:

C.A.Mcphalen, M.N.James. Structural Comparison of Two Serine Proteinase-Protein Inhibitor Complexes: Eglin-C-Subtilisin Carlsberg and Ci-2-Subtilisin Novo. Biochemistry V. 27 6582 1988.
ISSN: ISSN 0006-2960
PubMed: 3064813
DOI: 10.1021/BI00417A058
Page generated: Fri Jul 12 16:06:04 2024

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