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Calcium in PDB 1cse: The High-Resolution X-Ray Crystal Structure of the Complex Formed Between Subtilisin Carlsberg and Eglin C, An Elastase Inhibitor From the Leech Hirudo Medicinalis. Structural Analysis, Subtilisin Structure and Interface Geometry

Enzymatic activity of The High-Resolution X-Ray Crystal Structure of the Complex Formed Between Subtilisin Carlsberg and Eglin C, An Elastase Inhibitor From the Leech Hirudo Medicinalis. Structural Analysis, Subtilisin Structure and Interface Geometry

All present enzymatic activity of The High-Resolution X-Ray Crystal Structure of the Complex Formed Between Subtilisin Carlsberg and Eglin C, An Elastase Inhibitor From the Leech Hirudo Medicinalis. Structural Analysis, Subtilisin Structure and Interface Geometry:
3.4.21.62;

Protein crystallography data

The structure of The High-Resolution X-Ray Crystal Structure of the Complex Formed Between Subtilisin Carlsberg and Eglin C, An Elastase Inhibitor From the Leech Hirudo Medicinalis. Structural Analysis, Subtilisin Structure and Interface Geometry, PDB code: 1cse was solved by W.Bode, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.20
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 38.300, 41.500, 57.000, 111.80, 85.80, 104.70
R / Rfree (%) 17.8 / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the The High-Resolution X-Ray Crystal Structure of the Complex Formed Between Subtilisin Carlsberg and Eglin C, An Elastase Inhibitor From the Leech Hirudo Medicinalis. Structural Analysis, Subtilisin Structure and Interface Geometry (pdb code 1cse). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The High-Resolution X-Ray Crystal Structure of the Complex Formed Between Subtilisin Carlsberg and Eglin C, An Elastase Inhibitor From the Leech Hirudo Medicinalis. Structural Analysis, Subtilisin Structure and Interface Geometry, PDB code: 1cse:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1cse

Go back to Calcium Binding Sites List in 1cse
Calcium binding site 1 out of 2 in the The High-Resolution X-Ray Crystal Structure of the Complex Formed Between Subtilisin Carlsberg and Eglin C, An Elastase Inhibitor From the Leech Hirudo Medicinalis. Structural Analysis, Subtilisin Structure and Interface Geometry


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The High-Resolution X-Ray Crystal Structure of the Complex Formed Between Subtilisin Carlsberg and Eglin C, An Elastase Inhibitor From the Leech Hirudo Medicinalis. Structural Analysis, Subtilisin Structure and Interface Geometry within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca401

b:10.8
occ:0.42
O E:VAL174 2.3 5.5 1.0
O E:ALA169 2.4 7.9 1.0
O E:HOH476 2.4 15.2 1.0
O E:TYR171 2.5 9.0 1.0
O E:HOH402 2.5 9.7 1.1
C E:TYR171 3.4 6.3 1.0
C E:VAL174 3.4 4.0 1.0
C E:ALA169 3.6 19.2 1.0
C E:LYS170 3.9 6.4 1.0
O E:LYS170 3.9 5.6 1.0
N E:TYR171 4.0 3.0 1.0
N E:ALA176 4.0 3.2 1.0
N E:VAL174 4.1 6.0 1.0
CB E:ALA176 4.1 3.0 1.0
CA E:VAL174 4.1 3.1 1.0
N E:ASP172 4.2 7.0 1.0
CA E:LYS170 4.3 6.4 1.0
O E:GLU195 4.3 7.7 1.0
CA E:ASP172 4.3 15.5 1.0
CA E:TYR171 4.3 3.5 1.0
CB E:VAL174 4.3 3.0 1.0
N E:LYS170 4.3 8.7 1.0
NH2 E:ARG247 4.4 11.5 1.0
N E:ILE175 4.5 3.0 1.0
OE2 E:GLU197 4.5 17.0 1.0
CA E:ALA169 4.6 4.7 1.0
CB E:GLU195 4.6 3.1 1.0
CA E:ILE175 4.6 3.1 1.0
C E:ILE175 4.6 3.0 1.0
C E:ASP172 4.6 3.7 1.0
O E:ASP172 4.7 8.0 1.0
CA E:ALA176 4.7 3.0 1.0
O E:PRO168 4.9 7.5 1.0

Calcium binding site 2 out of 2 in 1cse

Go back to Calcium Binding Sites List in 1cse
Calcium binding site 2 out of 2 in the The High-Resolution X-Ray Crystal Structure of the Complex Formed Between Subtilisin Carlsberg and Eglin C, An Elastase Inhibitor From the Leech Hirudo Medicinalis. Structural Analysis, Subtilisin Structure and Interface Geometry


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The High-Resolution X-Ray Crystal Structure of the Complex Formed Between Subtilisin Carlsberg and Eglin C, An Elastase Inhibitor From the Leech Hirudo Medicinalis. Structural Analysis, Subtilisin Structure and Interface Geometry within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca430

b:10.2
occ:0.93
O E:THR79 2.4 7.2 1.0
O E:LEU75 2.4 12.1 1.0
OD1 E:ASN77 2.4 9.7 1.0
OE1 E:GLN2 2.4 6.7 1.0
O E:VAL81 2.4 6.7 1.0
OD1 E:ASP41 2.5 17.2 1.0
OD2 E:ASP41 2.6 11.5 1.0
CG E:ASP41 2.9 15.4 1.0
CG E:ASN77 3.4 16.1 1.0
CD E:GLN2 3.4 4.9 1.0
C E:LEU75 3.5 5.7 1.0
C E:VAL81 3.6 6.6 1.0
C E:THR79 3.6 20.2 1.0
N E:VAL81 3.7 5.5 1.0
ND2 E:ASN77 3.8 14.1 1.0
CG E:GLN2 3.9 6.3 1.0
N E:ASN77 4.0 12.0 1.0
C E:GLY80 4.1 5.2 1.0
CA E:VAL81 4.3 3.3 1.0
N E:LEU75 4.3 8.4 1.0
N E:THR79 4.3 11.0 1.0
CA E:LEU75 4.4 11.4 1.0
CA E:GLY80 4.4 10.6 1.0
N E:ASP76 4.4 6.2 1.0
CB E:ASP41 4.4 4.7 1.0
N E:GLY80 4.5 16.9 1.0
CB E:GLN2 4.5 8.8 1.0
CA E:THR79 4.5 14.8 1.0
CA E:ASP76 4.5 9.5 1.0
NE2 E:GLN2 4.6 6.0 1.0
CB E:ASN77 4.6 10.8 1.0
N E:LEU82 4.6 10.1 1.0
CA E:ASN77 4.6 12.5 1.0
C E:ASN77 4.6 11.5 1.0
CB E:LEU75 4.7 7.9 1.0
CG2 E:THR79 4.7 12.0 1.0
C E:ASP76 4.8 10.0 1.0
C E:ALA74 4.8 4.3 1.0
O E:ASN77 4.8 14.2 1.0
CA E:LEU82 4.8 10.9 1.0
O E:GLY80 4.9 11.5 1.0
CB E:ALA74 4.9 3.0 1.0

Reference:

W.Bode, E.Papamokos, D.Musil. The High-Resolution X-Ray Crystal Structure of the Complex Formed Between Subtilisin Carlsberg and Eglin C, An Elastase Inhibitor From the Leech Hirudo Medicinalis. Structural Analysis, Subtilisin Structure and Interface Geometry. Eur.J.Biochem. V. 166 673 1987.
ISSN: ISSN 0014-2956
PubMed: 3301348
DOI: 10.1111/J.1432-1033.1987.TB13566.X
Page generated: Thu Jul 11 07:10:10 2024

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