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Calcium in PDB 1sat: Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens

Protein crystallography data

The structure of Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens, PDB code: 1sat was solved by U.Baumann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.75
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 (%) 18.8 / n/a

Other elements in 1sat:

The structure of Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens (pdb code 1sat). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens, PDB code: 1sat:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in 1sat

Go back to Calcium Binding Sites List in 1sat
Calcium binding site 1 out of 7 in the Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca473

b:13.6
occ:1.01
O A:ARG253 2.3 14.0 1.0
O A:GLY287 2.3 13.6 1.0
O A:GLY255 2.4 14.9 1.0
OD1 A:ASP290 2.4 11.0 1.0
OG1 A:THR257 2.4 13.7 1.0
OD1 A:ASP285 2.5 14.1 1.0
OD2 A:ASP285 2.6 10.5 1.0
CG A:ASP285 2.9 12.1 1.0
CG A:ASP290 3.2 10.7 1.0
OD2 A:ASP290 3.4 11.4 1.0
C A:ARG253 3.5 13.9 1.0
CB A:THR257 3.5 13.6 1.0
C A:GLY287 3.5 12.9 1.0
C A:GLY255 3.6 15.1 1.0
N A:THR257 3.8 14.2 1.0
N A:GLY255 4.0 14.3 1.0
C A:THR254 4.0 15.6 1.0
CB A:ARG253 4.2 13.7 1.0
CA A:THR257 4.3 14.2 1.0
CA A:GLY288 4.3 11.9 1.0
N A:THR254 4.3 15.2 1.0
CA A:THR254 4.3 15.5 1.0
N A:GLY287 4.3 13.6 1.0
O A:HOH532 4.4 19.0 1.0
N A:GLY288 4.4 12.3 1.0
CB A:ASP285 4.4 9.7 1.0
O A:THR254 4.4 16.6 1.0
CA A:ARG253 4.4 13.1 1.0
CA A:GLY255 4.5 14.9 1.0
C A:ASP256 4.5 15.0 1.0
N A:ASP256 4.5 13.1 1.0
CA A:GLY287 4.5 12.5 1.0
O A:HOH541 4.5 10.9 1.0
CA A:ASP256 4.6 13.4 1.0
CB A:ASP290 4.6 10.6 1.0
C A:GLY288 4.6 12.6 1.0
CG2 A:THR257 4.7 10.5 1.0
O A:GLY288 4.9 13.0 1.0

Calcium binding site 2 out of 7 in 1sat

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Calcium binding site 2 out of 7 in the Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca474

b:11.9
occ:0.87
O A:THR327 2.4 11.7 1.0
O A:GLY288 2.4 13.0 1.0
O A:HOH541 2.4 10.9 1.0
OD2 A:ASP290 2.4 11.4 1.0
O A:HOH543 2.4 14.8 1.0
OE2 A:GLU329 2.6 15.2 1.0
OE1 A:GLU329 2.6 11.8 1.0
CD A:GLU329 3.0 12.6 1.0
CG A:ASP290 3.5 10.7 1.0
C A:GLY288 3.5 12.6 1.0
C A:THR327 3.6 11.0 1.0
N A:GLY288 4.2 12.3 1.0
C A:GLY287 4.2 12.9 1.0
N A:ASP290 4.2 12.9 1.0
CB A:ASP290 4.2 10.6 1.0
CB A:THR327 4.3 11.8 1.0
O A:GLY287 4.4 13.6 1.0
O A:HOH542 4.4 19.4 1.0
OD1 A:ASP290 4.4 11.0 1.0
CA A:GLY288 4.4 11.9 1.0
CA A:THR327 4.4 11.4 1.0
N A:ASN289 4.4 12.2 1.0
OD1 A:ASP285 4.5 14.1 1.0
N A:ILE328 4.5 10.0 1.0
CG A:GLU329 4.5 10.1 1.0
CA A:ASN289 4.5 13.4 1.0
O A:HOH544 4.5 21.6 1.0
CA A:ILE328 4.5 11.0 1.0
CA A:GLY287 4.7 12.5 1.0
CG2 A:THR327 4.8 10.3 1.0
N A:THR327 4.8 11.6 1.0
N A:GLU329 4.8 11.0 1.0
C A:ASN289 4.8 11.8 1.0
CA A:ASP290 4.9 13.6 1.0

Calcium binding site 3 out of 7 in 1sat

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Calcium binding site 3 out of 7 in the Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca475

b:12.6
occ:1.01
O A:GLY351 2.3 14.1 1.0
O A:GLY334 2.3 12.8 1.0
O A:ALA353 2.4 13.6 1.0
O A:GLY336 2.4 12.8 1.0
OD1 A:ASP356 2.5 14.3 1.0
OD2 A:ASP338 2.5 11.7 1.0
OD2 A:ASP356 3.0 13.3 1.0
CG A:ASP356 3.1 14.7 1.0
CG A:ASP338 3.4 12.1 1.0
C A:GLY351 3.5 13.3 1.0
C A:GLY334 3.5 12.5 1.0
C A:GLY336 3.6 11.6 1.0
C A:ALA353 3.6 13.6 1.0
C A:GLY352 4.0 12.4 1.0
N A:GLY336 4.0 11.6 1.0
O A:GLY352 4.0 12.8 1.0
OD1 A:ASP338 4.0 13.5 1.0
C A:SER335 4.1 14.3 1.0
N A:GLY334 4.1 12.6 1.0
N A:ALA353 4.2 11.5 1.0
CB A:ASP338 4.2 11.9 1.0
N A:ASP338 4.2 12.3 1.0
CA A:GLY352 4.3 11.8 1.0
CA A:SER335 4.4 14.3 1.0
N A:GLY352 4.4 13.1 1.0
N A:SER335 4.4 13.9 1.0
O A:HOH548 4.4 10.8 1.0
CA A:GLY354 4.4 12.2 1.0
CA A:GLY351 4.4 10.8 1.0
CA A:GLY336 4.4 10.6 1.0
CA A:GLY334 4.4 12.1 1.0
N A:GLY354 4.5 13.6 1.0
O A:SER335 4.5 14.4 1.0
CB A:ASP356 4.5 11.8 1.0
C A:GLY333 4.5 10.7 1.0
N A:ASN337 4.6 11.2 1.0
CA A:ALA353 4.6 12.1 1.0
C A:GLY354 4.7 13.1 1.0
O A:GLY354 4.7 15.6 1.0
CA A:ASN337 4.7 13.4 1.0
CA A:CA477 4.8 12.9 1.0
CA A:GLY333 4.8 10.7 1.0
C A:ASN337 4.9 13.5 1.0
CA A:ASP338 4.9 12.0 1.0

Calcium binding site 4 out of 7 in 1sat

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Calcium binding site 4 out of 7 in the Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca476

b:10.1
occ:1.00
O A:ASN343 2.3 10.8 1.0
O A:GLY362 2.3 11.3 1.0
O A:ALA345 2.4 10.7 1.0
OD1 A:ASN347 2.4 9.2 1.0
O A:GLY360 2.4 12.6 1.0
OD1 A:ASP365 2.5 11.1 1.0
OD2 A:ASP365 2.9 9.7 1.0
CG A:ASP365 3.0 8.2 1.0
CG A:ASN347 3.4 5.5 1.0
C A:ASN343 3.5 11.3 1.0
C A:GLY362 3.5 9.5 1.0
C A:GLY360 3.5 9.7 1.0
C A:ALA345 3.6 12.0 1.0
C A:GLY361 3.9 10.0 1.0
N A:GLY362 4.0 9.7 1.0
N A:ASN343 4.0 10.9 1.0
O A:GLY361 4.0 10.4 1.0
N A:ALA345 4.1 10.9 1.0
C A:ALA344 4.1 10.5 1.0
N A:ASN347 4.2 9.2 1.0
ND2 A:ASN347 4.2 5.8 1.0
CB A:ASN347 4.2 7.1 1.0
CA A:GLY362 4.3 9.6 1.0
CA A:GLY360 4.4 10.3 1.0
CA A:GLY361 4.4 9.7 1.0
N A:ALA344 4.4 9.8 1.0
N A:GLY361 4.4 9.5 1.0
CA A:ASN343 4.4 10.9 1.0
CA A:CA479 4.4 13.0 0.6
CA A:ALA344 4.4 11.8 1.0
CB A:ASP365 4.5 9.3 1.0
OD1 A:ASN343 4.5 12.1 1.0
CA A:ALA345 4.5 12.0 1.0
N A:GLY363 4.5 10.7 1.0
N A:ASN346 4.5 10.5 1.0
O A:ALA344 4.5 12.1 1.0
CA A:ASN346 4.6 11.6 1.0
CA A:GLY363 4.6 10.0 1.0
C A:ASN346 4.6 9.9 1.0
C A:GLY342 4.7 11.7 1.0
O A:GLY363 4.8 12.9 1.0
C A:GLY363 4.8 10.5 1.0
CA A:ASN347 4.8 7.2 1.0
CA A:GLY342 4.9 9.8 1.0

Calcium binding site 5 out of 7 in 1sat

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Calcium binding site 5 out of 7 in the Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca477

b:12.9
occ:1.02
O A:ALA371 2.3 13.4 1.0
O A:GLY352 2.3 12.8 1.0
O A:GLY369 2.4 13.0 1.0
O A:GLY354 2.4 15.6 1.0
OD2 A:ASP356 2.5 13.3 1.0
OD1 A:ASP374 2.5 17.5 1.0
OD2 A:ASP374 2.8 14.1 1.0
CG A:ASP374 3.0 15.4 1.0
C A:ALA371 3.5 13.5 1.0
C A:GLY369 3.5 11.2 1.0
CG A:ASP356 3.5 14.7 1.0
C A:GLY352 3.6 12.4 1.0
C A:GLY354 3.6 13.1 1.0
C A:ALA353 3.8 13.6 1.0
C A:GLY370 3.9 13.2 1.0
O A:ALA353 3.9 13.6 1.0
N A:GLY354 4.0 13.6 1.0
O A:GLY370 4.0 14.6 1.0
N A:ALA371 4.0 13.8 1.0
CA A:ALA353 4.2 12.1 1.0
CB A:ASP356 4.2 11.8 1.0
N A:ASP356 4.2 11.9 1.0
CA A:GLY370 4.3 11.4 1.0
C A:GLY351 4.3 13.3 1.0
N A:GLY370 4.3 11.4 1.0
CA A:GLY372 4.3 13.4 1.0
N A:ALA353 4.3 11.5 1.0
N A:GLY372 4.3 14.1 1.0
N A:GLY352 4.4 13.1 1.0
CA A:GLY354 4.4 12.2 1.0
CA A:ALA371 4.4 12.7 1.0
O A:GLY351 4.4 14.1 1.0
CB A:ASP374 4.5 13.3 1.0
OD1 A:ASP356 4.5 14.3 1.0
CA A:GLY369 4.5 9.5 1.0
N A:ASN355 4.6 11.9 1.0
CA A:GLY352 4.6 11.8 1.0
CA A:GLY351 4.6 10.8 1.0
C A:GLY372 4.7 14.5 1.0
CA A:CA478 4.7 14.3 0.5
CA A:ASN355 4.8 12.8 1.0
CA A:CA475 4.8 12.6 1.0
O A:GLY372 4.8 16.2 1.0
CA A:ASP356 4.9 11.4 1.0
C A:ASN355 5.0 12.8 1.0

Calcium binding site 6 out of 7 in 1sat

Go back to Calcium Binding Sites List in 1sat
Calcium binding site 6 out of 7 in the Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca478

b:14.3
occ:0.50
O A:HOH629 2.3 24.1 1.0
OD2 A:ASP374 2.4 14.1 1.0
O A:GLY372 2.5 16.2 1.0
O A:GLY370 2.5 14.6 1.0
OD1 A:ASP400 2.5 14.0 1.0
O A:HOH566 2.7 14.7 1.0
CG A:ASP400 3.3 13.1 1.0
OD2 A:ASP400 3.3 11.5 1.0
CG A:ASP374 3.5 15.4 1.0
C A:GLY372 3.6 14.5 1.0
O A:HOH567 3.6 20.1 1.0
C A:GLY370 3.7 13.2 1.0
C A:ALA371 3.9 13.5 1.0
CB A:ASP374 4.0 13.3 1.0
N A:GLY372 4.0 14.1 1.0
O A:ALA371 4.0 13.4 1.0
N A:ASP374 4.1 12.4 1.0
C A:GLY369 4.2 11.2 1.0
N A:GLY370 4.3 11.4 1.0
CA A:GLY372 4.3 13.4 1.0
CA A:ALA371 4.4 12.7 1.0
O A:GLY369 4.5 13.0 1.0
N A:ALA371 4.5 13.8 1.0
CA A:GLY369 4.5 9.5 1.0
N A:LYS373 4.5 13.8 1.0
OD1 A:ASP374 4.5 17.5 1.0
CA A:CA477 4.7 12.9 1.0
CA A:GLY370 4.7 11.4 1.0
CA A:ASP374 4.7 12.6 1.0
CB A:ASP400 4.7 10.1 1.0
CA A:LYS373 4.7 15.1 1.0
C A:LYS373 4.8 13.8 1.0
CG2 A:ILE399 4.9 12.8 1.0
O A:ASP394 4.9 12.2 1.0

Calcium binding site 7 out of 7 in 1sat

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Calcium binding site 7 out of 7 in the Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of the 50 kDa Metallo Protease From S. Marcescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca479

b:13.0
occ:0.59
O A:ASP383 2.2 11.4 1.0
O A:GLY363 2.3 12.9 1.0
O A:GLY361 2.4 10.4 1.0
OD2 A:ASP365 2.4 9.7 1.0
OD1 A:ASP390 2.5 10.3 1.0
O A:HOH561 2.8 14.1 1.0
O A:GLY362 3.3 11.3 1.0
C A:ASP383 3.3 10.9 1.0
CG A:ASP390 3.3 12.4 1.0
CG A:ASP365 3.4 8.2 1.0
OD2 A:ASP390 3.4 15.0 1.0
C A:GLY363 3.5 10.5 1.0
C A:GLY362 3.5 9.5 1.0
C A:GLY361 3.6 10.0 1.0
N A:GLY363 3.9 10.7 1.0
CA A:ASP383 3.9 10.2 1.0
CA A:GLY362 4.0 9.6 1.0
N A:ASP365 4.0 10.3 1.0
CB A:ASP365 4.1 9.3 1.0
OD1 A:ASP365 4.2 11.1 1.0
CA A:GLY363 4.2 10.0 1.0
N A:GLY362 4.2 9.7 1.0
C A:GLY360 4.3 9.7 1.0
O A:HOH564 4.3 14.7 1.0
O A:GLY360 4.4 12.6 1.0
N A:SER384 4.4 11.4 1.0
N A:ALA364 4.4 11.0 1.0
CA A:CA476 4.4 10.1 1.0
N A:GLY361 4.4 9.5 1.0
CB A:ASP383 4.5 12.4 1.0
CA A:ALA364 4.6 11.0 1.0
CA A:GLY361 4.7 9.7 1.0
CA A:SER384 4.7 11.2 1.0
CA A:ASP365 4.7 9.6 1.0
C A:ALA364 4.7 11.8 1.0
CA A:GLY360 4.8 10.3 1.0
CB A:ASP390 4.8 11.7 1.0
O A:SER382 4.8 15.2 1.0

Reference:

U.Baumann, U.Baumann. N/A N/A.
ISSN: ISSN 0022-2836
PubMed: 8089845
DOI: 10.1006/JMBI.1994.1576
Page generated: Thu Jul 11 22:30:14 2024

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