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Calcium in PDB 1af0: Serratia Protease in Complex with Inhibitor

Enzymatic activity of Serratia Protease in Complex with Inhibitor

All present enzymatic activity of Serratia Protease in Complex with Inhibitor:
3.4.24.40;

Protein crystallography data

The structure of Serratia Protease in Complex with Inhibitor, PDB code: 1af0 was solved by U.Baumann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 151.000, 109.200, 42.600, 90.00, 90.00, 90.00
R / Rfree (%) 24.2 / n/a

Other elements in 1af0:

The structure of Serratia Protease in Complex with Inhibitor also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Serratia Protease in Complex with Inhibitor (pdb code 1af0). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the Serratia Protease in Complex with Inhibitor, PDB code: 1af0:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in 1af0

Go back to Calcium Binding Sites List in 1af0
Calcium binding site 1 out of 7 in the Serratia Protease in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Serratia Protease in Complex with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca474

b:16.5
occ:1.00
O A:GLY287 2.3 14.4 1.0
OD1 A:ASP290 2.3 15.7 1.0
O A:ARG253 2.4 17.3 1.0
O A:GLY255 2.4 22.9 1.0
OD1 A:ASP285 2.5 19.1 1.0
OD2 A:ASP285 2.5 14.2 1.0
OG1 A:THR257 2.5 14.8 1.0
CG A:ASP285 2.8 15.4 1.0
CG A:ASP290 3.1 13.5 1.0
OD2 A:ASP290 3.4 15.1 1.0
C A:GLY287 3.5 20.0 1.0
CB A:THR257 3.5 15.4 1.0
C A:ARG253 3.5 17.4 1.0
C A:GLY255 3.6 21.5 1.0
N A:THR257 3.8 16.6 1.0
N A:GLY255 4.0 17.8 1.0
C A:THR254 4.0 18.9 1.0
CB A:ARG253 4.2 17.6 1.0
N A:GLY287 4.3 17.4 1.0
CA A:GLY288 4.3 15.7 1.0
CA A:THR254 4.3 16.4 1.0
CA A:THR257 4.3 14.6 1.0
CB A:ASP285 4.3 13.2 1.0
N A:GLY288 4.4 18.7 1.0
N A:THR254 4.4 16.7 1.0
O A:THR254 4.4 23.7 1.0
O A:HOH2048 4.5 25.8 1.0
CA A:GLY255 4.5 20.1 1.0
CA A:ARG253 4.5 15.3 1.0
CB A:ASP290 4.5 12.5 1.0
CA A:GLY287 4.5 18.5 1.0
C A:ASP256 4.5 18.3 1.0
O A:HOH2057 4.5 17.9 1.0
N A:ASP256 4.5 18.0 1.0
CA A:ASP256 4.6 18.5 1.0
C A:GLY288 4.6 17.0 1.0
CG2 A:THR257 4.7 15.7 1.0
O A:GLY288 4.9 18.1 1.0

Calcium binding site 2 out of 7 in 1af0

Go back to Calcium Binding Sites List in 1af0
Calcium binding site 2 out of 7 in the Serratia Protease in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Serratia Protease in Complex with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca476

b:17.7
occ:1.00
O A:THR327 2.3 16.8 1.0
OD2 A:ASP290 2.4 15.1 1.0
O A:HOH2057 2.4 17.9 1.0
O A:GLY288 2.4 18.1 1.0
OE2 A:GLU329 2.5 19.2 1.0
OE1 A:GLU329 2.5 14.9 1.0
O A:HOH2059 2.5 20.8 1.0
CD A:GLU329 2.9 18.3 1.0
CG A:ASP290 3.5 13.5 1.0
C A:THR327 3.5 15.8 1.0
C A:GLY288 3.6 17.0 1.0
N A:ASP290 4.2 17.0 1.0
CB A:ASP290 4.2 12.5 1.0
C A:GLY287 4.2 20.0 1.0
N A:GLY288 4.3 18.7 1.0
CB A:THR327 4.3 17.0 1.0
OD1 A:ASP290 4.3 15.7 1.0
O A:GLY287 4.3 14.4 1.0
CG A:GLU329 4.4 14.7 1.0
O A:HOH2058 4.4 20.6 1.0
CA A:THR327 4.4 14.7 1.0
N A:ILE328 4.4 12.3 1.0
CA A:GLY288 4.5 15.7 1.0
N A:ASN289 4.5 15.5 1.0
CA A:ILE328 4.5 13.5 1.0
O A:HOH2060 4.5 25.6 1.0
OD1 A:ASP285 4.5 19.1 1.0
CA A:ASN289 4.6 16.6 1.0
N A:GLU329 4.7 14.2 1.0
CG2 A:THR327 4.8 18.9 1.0
N A:THR327 4.8 14.8 1.0
CA A:GLY287 4.8 18.5 1.0
C A:ASN289 4.8 15.6 1.0
CA A:ASP290 4.9 15.5 1.0

Calcium binding site 3 out of 7 in 1af0

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Calcium binding site 3 out of 7 in the Serratia Protease in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Serratia Protease in Complex with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca478

b:16.3
occ:1.00
O A:GLY351 2.3 15.5 1.0
O A:ALA353 2.3 17.9 1.0
O A:GLY336 2.4 16.5 1.0
O A:GLY334 2.4 14.3 1.0
OD1 A:ASP356 2.4 14.8 1.0
OD2 A:ASP338 2.4 16.3 1.0
OD2 A:ASP356 3.0 16.1 1.0
CG A:ASP356 3.0 19.9 1.0
CG A:ASP338 3.3 19.4 1.0
C A:GLY351 3.4 18.5 1.0
C A:ALA353 3.5 17.0 1.0
C A:GLY334 3.6 16.8 1.0
C A:GLY336 3.6 15.3 1.0
C A:GLY352 3.9 16.6 1.0
O A:GLY352 3.9 15.0 1.0
N A:GLY336 4.0 15.8 1.0
N A:GLY334 4.1 17.0 1.0
OD1 A:ASP338 4.1 18.7 1.0
C A:SER335 4.1 18.1 1.0
CB A:ASP338 4.1 15.7 1.0
N A:ASP338 4.1 15.3 1.0
N A:ALA353 4.2 14.8 1.0
CA A:GLY352 4.2 17.3 1.0
N A:GLY352 4.3 18.0 1.0
CA A:GLY351 4.3 16.4 1.0
O A:HOH2063 4.4 14.8 1.0
CA A:SER335 4.4 17.8 1.0
CA A:GLY354 4.4 15.7 1.0
N A:GLY354 4.4 16.2 1.0
N A:SER335 4.4 16.8 1.0
CA A:GLY336 4.4 13.7 1.0
CA A:GLY334 4.4 15.5 1.0
CB A:ASP356 4.5 15.2 1.0
CA A:ALA353 4.5 16.9 1.0
C A:GLY333 4.5 16.7 1.0
N A:ASN337 4.5 13.5 1.0
O A:SER335 4.6 20.5 1.0
C A:GLY354 4.6 16.8 1.0
O A:GLY354 4.7 17.6 1.0
CA A:ASN337 4.7 15.9 1.0
CA A:CA482 4.8 16.5 1.0
CA A:GLY333 4.8 15.4 1.0
CA A:ASP338 4.8 14.6 1.0
C A:ASN337 4.8 19.5 1.0

Calcium binding site 4 out of 7 in 1af0

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Calcium binding site 4 out of 7 in the Serratia Protease in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Serratia Protease in Complex with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca480

b:13.0
occ:1.00
O A:ASN343 2.3 13.6 1.0
O A:GLY362 2.3 14.3 1.0
OD1 A:ASN347 2.4 12.9 1.0
O A:GLY360 2.4 14.6 1.0
OD1 A:ASP365 2.4 16.7 1.0
O A:ALA345 2.5 12.9 1.0
OD2 A:ASP365 2.9 13.5 1.0
CG A:ASP365 3.0 12.5 1.0
CG A:ASN347 3.4 10.2 1.0
C A:ASN343 3.5 15.7 1.0
C A:GLY360 3.5 11.7 1.0
C A:GLY362 3.5 15.9 1.0
C A:ALA345 3.7 14.1 1.0
C A:GLY361 3.9 16.7 1.0
N A:GLY362 4.0 14.8 1.0
N A:ASN343 4.0 11.8 1.0
O A:GLY361 4.1 15.7 1.0
N A:ASN347 4.1 10.6 1.0
C A:ALA344 4.2 15.5 1.0
N A:ALA345 4.2 11.4 1.0
ND2 A:ASN347 4.2 11.4 1.0
CB A:ASN347 4.2 11.1 1.0
CA A:GLY362 4.3 14.3 1.0
CA A:CA486 4.3 29.8 1.0
CA A:GLY361 4.3 14.2 1.0
CA A:GLY360 4.4 14.2 1.0
CA A:ASN343 4.4 13.3 1.0
N A:ALA344 4.4 15.5 1.0
N A:GLY361 4.4 11.6 1.0
CA A:ALA344 4.4 18.0 1.0
CB A:ASP365 4.5 12.7 1.0
OD1 A:ASN343 4.5 16.6 1.0
O A:ALA344 4.5 16.0 1.0
N A:GLY363 4.5 15.7 1.0
CA A:ASN346 4.6 14.3 1.0
N A:ASN346 4.6 15.2 1.0
CA A:ALA345 4.6 11.6 1.0
CA A:GLY363 4.6 13.7 1.0
C A:ASN346 4.6 13.8 1.0
C A:GLY342 4.7 15.0 1.0
C A:GLY363 4.8 15.9 1.0
CA A:ASN347 4.8 11.3 1.0
O A:GLY363 4.8 15.6 1.0
CA A:GLY342 5.0 11.0 1.0

Calcium binding site 5 out of 7 in 1af0

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Calcium binding site 5 out of 7 in the Serratia Protease in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Serratia Protease in Complex with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca482

b:16.5
occ:1.00
O A:ALA371 2.2 19.0 1.0
OD2 A:ASP356 2.4 16.1 1.0
O A:GLY369 2.4 16.8 1.0
O A:GLY354 2.4 17.6 1.0
O A:GLY352 2.5 15.0 1.0
OD1 A:ASP374 2.5 17.8 1.0
OD2 A:ASP374 2.7 15.0 1.0
CG A:ASP374 2.9 18.5 1.0
C A:ALA371 3.5 19.6 1.0
CG A:ASP356 3.5 19.9 1.0
C A:GLY369 3.5 16.4 1.0
C A:GLY354 3.6 16.8 1.0
C A:GLY352 3.7 16.6 1.0
C A:ALA353 3.8 17.0 1.0
C A:GLY370 3.9 19.3 1.0
O A:ALA353 3.9 17.9 1.0
O A:GLY370 4.0 16.9 1.0
N A:GLY354 4.1 16.2 1.0
N A:ALA371 4.1 19.6 1.0
CB A:ASP356 4.1 15.2 1.0
N A:ASP356 4.2 13.9 1.0
CA A:ALA353 4.2 16.9 1.0
CA A:GLY370 4.3 16.1 1.0
N A:GLY372 4.3 19.1 1.0
C A:GLY351 4.3 18.5 1.0
N A:GLY370 4.3 15.6 1.0
CA A:GLY372 4.4 20.1 1.0
CB A:ASP374 4.4 13.9 1.0
N A:GLY352 4.4 18.0 1.0
CA A:ALA371 4.4 18.8 1.0
OD1 A:ASP356 4.4 14.8 1.0
CA A:GLY354 4.5 15.7 1.0
N A:ALA353 4.5 14.8 1.0
CA A:GLY369 4.5 13.1 1.0
CA A:CA484 4.5 36.8 1.0
O A:GLY351 4.6 15.5 1.0
N A:ASN355 4.6 14.2 1.0
C A:GLY372 4.7 21.1 1.0
CA A:GLY351 4.7 16.4 1.0
CA A:GLY352 4.7 17.3 1.0
CA A:ASN355 4.7 14.4 1.0
CA A:CA478 4.8 16.3 1.0
CA A:ASP356 4.9 13.9 1.0
O A:GLY372 4.9 19.5 1.0
C A:ASN355 4.9 17.0 1.0

Calcium binding site 6 out of 7 in 1af0

Go back to Calcium Binding Sites List in 1af0
Calcium binding site 6 out of 7 in the Serratia Protease in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Serratia Protease in Complex with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca484

b:36.8
occ:1.00
OD2 A:ASP374 2.2 15.0 1.0
O A:HOH2141 2.2 27.8 1.0
O A:GLY370 2.5 16.9 1.0
O A:GLY372 2.6 19.5 1.0
OD1 A:ASP400 2.6 17.5 1.0
O A:HOH2081 2.7 17.6 1.0
CG A:ASP374 3.3 18.5 1.0
CG A:ASP400 3.3 17.7 1.0
OD2 A:ASP400 3.4 18.1 1.0
C A:GLY372 3.6 21.1 1.0
C A:GLY370 3.7 19.3 1.0
O A:HOH2082 3.8 30.9 1.0
CB A:ASP374 3.8 13.9 1.0
C A:ALA371 3.8 19.6 1.0
N A:ASP374 3.9 17.0 1.0
O A:ALA371 3.9 19.0 1.0
N A:GLY372 4.0 19.1 1.0
C A:GLY369 4.1 16.4 1.0
N A:GLY370 4.3 15.6 1.0
CA A:ALA371 4.3 18.8 1.0
CA A:GLY372 4.3 20.1 1.0
CA A:GLY369 4.4 13.1 1.0
OD1 A:ASP374 4.4 17.8 1.0
O A:GLY369 4.4 16.8 1.0
N A:LYS373 4.5 17.8 1.0
N A:ALA371 4.5 19.6 1.0
CA A:CA482 4.5 16.5 1.0
CA A:ASP374 4.5 15.5 1.0
CA A:LYS373 4.7 17.2 1.0
CA A:GLY370 4.7 16.1 1.0
C A:LYS373 4.7 17.9 1.0
CB A:ASP400 4.8 15.1 1.0
CG2 A:ILE399 4.9 17.8 1.0
O A:ASP394 5.0 16.8 1.0

Calcium binding site 7 out of 7 in 1af0

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Calcium binding site 7 out of 7 in the Serratia Protease in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Serratia Protease in Complex with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca486

b:29.8
occ:1.00
OD2 A:ASP365 2.2 13.5 1.0
O A:ASP383 2.3 17.5 1.0
O A:GLY363 2.4 15.6 1.0
OD1 A:ASP390 2.4 12.4 1.0
O A:GLY361 2.4 15.7 1.0
O A:HOH2076 2.8 16.6 1.0
CG A:ASP365 3.2 12.5 1.0
CG A:ASP390 3.2 15.5 1.0
O A:GLY362 3.3 14.3 1.0
OD2 A:ASP390 3.3 20.8 1.0
C A:ASP383 3.4 15.5 1.0
C A:GLY363 3.5 15.9 1.0
C A:GLY362 3.5 15.9 1.0
C A:GLY361 3.5 16.7 1.0
N A:ASP365 3.9 12.0 1.0
CB A:ASP365 3.9 12.7 1.0
N A:GLY363 4.0 15.7 1.0
CA A:GLY362 4.0 14.3 1.0
OD1 A:ASP365 4.0 16.7 1.0
CA A:ASP383 4.0 13.7 1.0
N A:GLY362 4.2 14.8 1.0
CA A:GLY363 4.3 13.7 1.0
C A:GLY360 4.3 11.7 1.0
CA A:CA480 4.3 13.0 1.0
O A:GLY360 4.3 14.6 1.0
N A:ALA364 4.4 16.7 1.0
N A:GLY361 4.4 11.6 1.0
O A:HOH2079 4.5 22.3 1.0
N A:SER384 4.5 13.5 1.0
CA A:ALA364 4.5 16.1 1.0
CA A:ASP365 4.6 12.9 1.0
CB A:ASP383 4.6 14.7 1.0
C A:ALA364 4.7 15.7 1.0
CA A:GLY361 4.7 14.2 1.0
CB A:ASP390 4.7 14.2 1.0
CA A:GLY360 4.7 14.2 1.0
CA A:SER384 4.7 14.3 1.0
O A:SER382 4.9 19.1 1.0

Reference:

U.Baumann, U.Baumann. N/A N/A.
Page generated: Thu Jul 11 05:48:01 2024

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