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Calcium in PDB 1bh6: Subtilisin Dy in Complex with the Synthetic Inhibitor N- Benzyloxycarbonyl-Ala-Pro-Phe-Chloromethyl Ketone

Enzymatic activity of Subtilisin Dy in Complex with the Synthetic Inhibitor N- Benzyloxycarbonyl-Ala-Pro-Phe-Chloromethyl Ketone

All present enzymatic activity of Subtilisin Dy in Complex with the Synthetic Inhibitor N- Benzyloxycarbonyl-Ala-Pro-Phe-Chloromethyl Ketone:
3.4.21.62;

Protein crystallography data

The structure of Subtilisin Dy in Complex with the Synthetic Inhibitor N- Benzyloxycarbonyl-Ala-Pro-Phe-Chloromethyl Ketone, PDB code: 1bh6 was solved by S.Eschenburg, N.Genov, K.S.Wilson, C.Betzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.830, 72.750, 59.890, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1bh6:

The structure of Subtilisin Dy in Complex with the Synthetic Inhibitor N- Benzyloxycarbonyl-Ala-Pro-Phe-Chloromethyl Ketone also contains other interesting chemical elements:

Sodium (Na) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Subtilisin Dy in Complex with the Synthetic Inhibitor N- Benzyloxycarbonyl-Ala-Pro-Phe-Chloromethyl Ketone (pdb code 1bh6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Subtilisin Dy in Complex with the Synthetic Inhibitor N- Benzyloxycarbonyl-Ala-Pro-Phe-Chloromethyl Ketone, PDB code: 1bh6:

Calcium binding site 1 out of 1 in 1bh6

Go back to Calcium Binding Sites List in 1bh6
Calcium binding site 1 out of 1 in the Subtilisin Dy in Complex with the Synthetic Inhibitor N- Benzyloxycarbonyl-Ala-Pro-Phe-Chloromethyl Ketone


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Subtilisin Dy in Complex with the Synthetic Inhibitor N- Benzyloxycarbonyl-Ala-Pro-Phe-Chloromethyl Ketone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca501

b:14.3
occ:1.00
 O A:LEU75 2.3 10.6 1.0
O A:THR79 2.4 14.2 1.0
O A:VAL81 2.4 10.7 1.0
OD1 A:ASN77 2.4 13.5 1.0
OD1 A:ASP41 2.5 14.1 1.0
OE1 A:GLN2 2.5 14.2 1.0
OD2 A:ASP41 2.5 12.8 1.0
CG A:ASP41 2.9 10.6 1.0
CG A:ASN77 3.4 13.2 1.0
C A:LEU75 3.5 9.1 1.0
C A:THR79 3.5 17.3 1.0
CD A:GLN2 3.6 15.0 1.0
C A:VAL81 3.6 10.5 1.0
N A:VAL81 3.7 12.1 1.0
ND2 A:ASN77 3.8 12.6 1.0
N A:ASN77 4.0 15.6 1.0
CG A:GLN2 4.0 13.9 1.0
C A:GLY80 4.1 14.5 1.0
N A:GLY80 4.3 16.7 1.0
CA A:GLY80 4.3 17.1 1.0
CA A:LEU75 4.3 12.9 1.0
N A:LEU75 4.3 9.2 1.0
CA A:VAL81 4.3 9.3 1.0
N A:THR79 4.4 20.6 1.0
CB A:ASP41 4.4 8.5 1.0
N A:ASP76 4.4 10.8 1.0
CA A:ASP76 4.5 12.1 1.0
CA A:THR79 4.5 20.3 1.0
CG2 A:THR79 4.6 21.8 1.0
N A:LEU82 4.6 10.0 1.0
CB A:ASN77 4.6 16.6 1.0
CB A:LEU75 4.6 13.3 1.0
CB A:GLN2 4.7 16.5 1.0
NE2 A:GLN2 4.7 13.2 1.0
C A:ALA74 4.7 9.7 1.0
C A:ASP76 4.7 13.9 1.0
CA A:ASN77 4.7 18.2 1.0
CA A:LEU82 4.8 8.7 1.0
C A:ASN77 4.8 19.0 1.0
CB A:ALA74 4.8 5.2 1.0
O A:ASN77 4.9 19.6 1.0
O A:GLY80 4.9 13.3 1.0
O A:ALA74 5.0 9.5 1.0

Reference:

S.Eschenburg, N.Genov, K.Peters, S.Fittkau, S.Stoeva, K.S.Wilson, C.Betzel. Crystal Structure of Subtilisin Dy, A Random Mutant of Subtilisin Carlsberg. Eur.J.Biochem. V. 257 309 1998.
ISSN: ISSN 0014-2956
PubMed: 9826175
DOI: 10.1046/J.1432-1327.1998.2570309.X
Page generated: Thu Jul 11 06:25:38 2024

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