Calcium in PDB 1scn: Inactivation of Subtilisin Carlsberg By N-(Tert-Butoxycarbonyl-Alanyl- Prolyl-Phenylalanyl)-O-Benzol Hydroxylamine: Formation of Covalent Enzyme-Inhibitor Linkage in the Form of A Carbamate Derivative

Enzymatic activity of Inactivation of Subtilisin Carlsberg By N-(Tert-Butoxycarbonyl-Alanyl- Prolyl-Phenylalanyl)-O-Benzol Hydroxylamine: Formation of Covalent Enzyme-Inhibitor Linkage in the Form of A Carbamate Derivative

All present enzymatic activity of Inactivation of Subtilisin Carlsberg By N-(Tert-Butoxycarbonyl-Alanyl- Prolyl-Phenylalanyl)-O-Benzol Hydroxylamine: Formation of Covalent Enzyme-Inhibitor Linkage in the Form of A Carbamate Derivative:
3.4.21.62;

Protein crystallography data

The structure of Inactivation of Subtilisin Carlsberg By N-(Tert-Butoxycarbonyl-Alanyl- Prolyl-Phenylalanyl)-O-Benzol Hydroxylamine: Formation of Covalent Enzyme-Inhibitor Linkage in the Form of A Carbamate Derivative, PDB code: 1scn was solved by A.C.U.Steinmetz, H.-U.Demuth, D.Ringe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.500, 55.400, 53.400, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1scn:

The structure of Inactivation of Subtilisin Carlsberg By N-(Tert-Butoxycarbonyl-Alanyl- Prolyl-Phenylalanyl)-O-Benzol Hydroxylamine: Formation of Covalent Enzyme-Inhibitor Linkage in the Form of A Carbamate Derivative also contains other interesting chemical elements:

Sodium (Na) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Inactivation of Subtilisin Carlsberg By N-(Tert-Butoxycarbonyl-Alanyl- Prolyl-Phenylalanyl)-O-Benzol Hydroxylamine: Formation of Covalent Enzyme-Inhibitor Linkage in the Form of A Carbamate Derivative (pdb code 1scn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Inactivation of Subtilisin Carlsberg By N-(Tert-Butoxycarbonyl-Alanyl- Prolyl-Phenylalanyl)-O-Benzol Hydroxylamine: Formation of Covalent Enzyme-Inhibitor Linkage in the Form of A Carbamate Derivative, PDB code: 1scn:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1scn

Go back to Calcium Binding Sites List in 1scn
Calcium binding site 1 out of 2 in the Inactivation of Subtilisin Carlsberg By N-(Tert-Butoxycarbonyl-Alanyl- Prolyl-Phenylalanyl)-O-Benzol Hydroxylamine: Formation of Covalent Enzyme-Inhibitor Linkage in the Form of A Carbamate Derivative


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Inactivation of Subtilisin Carlsberg By N-(Tert-Butoxycarbonyl-Alanyl- Prolyl-Phenylalanyl)-O-Benzol Hydroxylamine: Formation of Covalent Enzyme-Inhibitor Linkage in the Form of A Carbamate Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca401

b:21.2
occ:1.00
 O E:VAL81 2.4 17.6 1.0
O E:LEU75 2.4 14.5 1.0
O E:THR79 2.4 18.5 1.0
NE2 E:GLN2 2.4 15.1 1.0
OD1 E:ASN77 2.5 17.5 1.0
OD1 E:ASP41 2.6 13.0 1.0
OD2 E:ASP41 2.6 13.4 1.0
CG E:ASP41 2.9 20.6 1.0
CG E:ASN77 3.4 20.4 1.0
C E:VAL81 3.5 18.6 1.0
CD E:GLN2 3.5 19.3 1.0
C E:LEU75 3.6 17.5 1.0
C E:THR79 3.6 18.8 1.0
N E:VAL81 3.7 17.9 1.0
ND2 E:ASN77 3.8 16.9 1.0
N E:ASN77 3.9 20.5 1.0
CG E:GLN2 4.0 17.1 1.0
C E:GLY80 4.2 19.0 1.0
CA E:VAL81 4.2 18.3 1.0
N E:LEU75 4.3 18.5 1.0
CA E:GLY80 4.3 20.1 1.0
CA E:LEU75 4.4 18.8 1.0
N E:THR79 4.4 19.3 1.0
CB E:ASP41 4.4 16.8 1.0
N E:GLY80 4.4 19.8 1.0
N E:LEU82 4.5 18.9 1.0
CA E:THR79 4.6 18.6 1.0
CB E:ASN77 4.6 18.4 1.0
N E:ASP76 4.6 17.8 1.0
OE1 E:GLN2 4.6 14.9 1.0
CG2 E:THR79 4.6 23.2 1.0
CA E:ASN77 4.6 19.3 1.0
CA E:ASP76 4.6 16.6 1.0
C E:ASP76 4.7 19.2 1.0
C E:ASN77 4.7 19.6 1.0
C E:ALA74 4.7 17.7 1.0
CB E:LEU75 4.7 18.2 1.0
CA E:LEU82 4.8 17.8 1.0
CB E:GLN2 4.8 18.7 1.0
O E:ASN77 4.8 20.2 1.0
CB E:ALA74 4.8 19.7 1.0
O E:GLY80 4.9 19.1 1.0
O E:ALA74 5.0 15.9 1.0

Calcium binding site 2 out of 2 in 1scn

Go back to Calcium Binding Sites List in 1scn
Calcium binding site 2 out of 2 in the Inactivation of Subtilisin Carlsberg By N-(Tert-Butoxycarbonyl-Alanyl- Prolyl-Phenylalanyl)-O-Benzol Hydroxylamine: Formation of Covalent Enzyme-Inhibitor Linkage in the Form of A Carbamate Derivative


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Inactivation of Subtilisin Carlsberg By N-(Tert-Butoxycarbonyl-Alanyl- Prolyl-Phenylalanyl)-O-Benzol Hydroxylamine: Formation of Covalent Enzyme-Inhibitor Linkage in the Form of A Carbamate Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca403

b:45.3
occ:1.00
 O E:HIS39 2.4 19.7 1.0
O E:LEU42 2.7 18.7 1.0
O E:ALA37 2.7 16.2 1.0
O E:HOH572 3.2 17.6 1.0
O E:HOH637 3.2 26.8 1.0
O E:HOH640 3.3 28.0 1.0
C E:HIS39 3.4 19.4 1.0
C E:SER38 3.5 20.1 1.0
N E:HIS39 3.7 19.0 1.0
O E:SER38 3.7 20.5 1.0
C E:ALA37 3.8 17.4 1.0
CA E:SER38 3.9 19.9 1.0
C E:LEU42 3.9 18.7 1.0
CA E:HIS39 4.2 18.3 1.0
N E:PRO40 4.2 20.0 1.0
CA E:PRO40 4.3 19.1 1.0
N E:SER38 4.3 18.4 1.0
N E:LEU42 4.5 18.1 1.0
C E:PRO40 4.7 16.8 1.0
CA E:LEU42 4.7 18.6 1.0
CA E:ASN43 4.8 18.6 1.0
N E:ASN43 4.8 19.0 1.0
CB E:LEU42 4.9 18.9 1.0
O E:PRO40 5.0 16.6 1.0

Reference:

A.C.Steinmetz, H.U.Demuth, D.Ringe. Inactivation of Subtilisin Carlsberg By N-((Tert-Butoxycarbonyl)Alanylprolylphenylalanyl) -O-Benzolhydroxyl- Amine: Formation of A Covalent Enzyme-Inhibitor Linkage in the Form of A Carbamate Derivative. Biochemistry V. 33 10535 1994.
ISSN: ISSN 0006-2960
PubMed: 8068694
DOI: 10.1021/BI00200A040
Page generated: Sat Dec 12 03:19:12 2020

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