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Calcium in PDB 1smp: Crystal Structure of A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi

Enzymatic activity of Crystal Structure of A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi

All present enzymatic activity of Crystal Structure of A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi:
3.4.24.40;

Protein crystallography data

The structure of Crystal Structure of A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi, PDB code: 1smp was solved by U.Baumann, M.Bauer, S.Letoffe, P.Delepelaire, C.Wandersman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.30
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 108.830, 108.830, 87.950, 90.00, 90.00, 90.00
R / Rfree (%) 19.5 / 24.7

Other elements in 1smp:

The structure of Crystal Structure of A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi (pdb code 1smp). 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 A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi, PDB code: 1smp:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in 1smp

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Calcium binding site 1 out of 7 in the Crystal Structure of A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi


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 A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca473

b:26.5
occ:1.00
 OD1 A:ASP290 2.2 23.9 1.0
O A:GLY287 2.3 21.6 1.0
O A:ARG253 2.3 27.6 1.0
O A:GLY255 2.3 33.1 1.0
OD2 A:ASP285 2.4 21.9 1.0
OD1 A:ASP285 2.5 25.9 1.0
OG1 A:THR257 2.5 22.6 1.0
CG A:ASP285 2.8 22.6 1.0
CG A:ASP290 3.2 21.5 1.0
C A:ARG253 3.4 25.6 1.0
CB A:THR257 3.5 23.5 1.0
C A:GLY287 3.5 23.9 1.0
C A:GLY255 3.5 32.4 1.0
OD2 A:ASP290 3.6 22.6 1.0
N A:THR257 3.7 27.0 1.0
N A:GLY255 3.8 30.7 1.0
C A:THR254 4.0 30.3 1.0
CB A:ARG253 4.1 22.1 1.0
CA A:THR257 4.3 24.0 1.0
N A:GLY287 4.3 24.2 1.0
CA A:THR254 4.3 28.4 1.0
N A:THR254 4.3 25.0 1.0
CB A:ASP285 4.3 21.2 1.0
CA A:GLY255 4.3 31.7 1.0
CA A:GLY288 4.3 26.4 1.0
N A:GLY288 4.4 24.8 1.0
CA A:ARG253 4.4 24.1 1.0
N A:ASP256 4.5 31.3 1.0
CB A:ASP290 4.5 21.4 1.0
CA A:GLY287 4.5 21.4 1.0
C A:ASP256 4.5 28.6 1.0
CA A:ASP256 4.6 30.6 1.0
O A:HOH618 4.6 32.6 1.0
O A:THR254 4.6 31.1 1.0
C A:GLY288 4.7 27.2 1.0
CG2 A:THR257 4.7 20.6 1.0
OH A:TYR259 4.9 14.1 1.0
O A:HOH503 4.9 31.7 1.0
O A:GLY288 5.0 29.0 1.0

Calcium binding site 2 out of 7 in 1smp

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Calcium binding site 2 out of 7 in the Crystal Structure of A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi


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 A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca474

b:28.8
occ:1.00
 O A:HOH524 1.9 25.2 1.0
OD2 A:ASP290 2.2 22.6 1.0
O A:THR327 2.2 23.1 1.0
O A:GLY288 2.5 29.0 1.0
O A:HOH618 2.5 32.6 1.0
OE2 A:GLU329 2.5 21.1 1.0
OE1 A:GLU329 2.6 18.7 1.0
CD A:GLU329 2.9 17.3 1.0
CG A:ASP290 3.4 21.5 1.0
C A:THR327 3.4 22.1 1.0
C A:GLY288 3.6 27.2 1.0
N A:ASP290 4.0 21.7 1.0
CB A:ASP290 4.2 21.4 1.0
CB A:THR327 4.2 24.1 1.0
OD1 A:ASP290 4.3 23.9 1.0
N A:GLY288 4.3 24.8 1.0
CA A:THR327 4.4 22.6 1.0
N A:ILE328 4.4 19.9 1.0
C A:GLY287 4.4 23.9 1.0
CA A:ILE328 4.4 20.3 1.0
CG A:GLU329 4.4 15.8 1.0
N A:ASN289 4.5 25.8 1.0
CA A:ASN289 4.5 24.7 1.0
CA A:GLY288 4.5 26.4 1.0
O A:GLY287 4.5 21.6 1.0
O A:HOH523 4.6 26.0 1.0
OD1 A:ASP285 4.6 25.9 1.0
CG2 A:THR327 4.7 25.4 1.0
N A:GLU329 4.7 20.7 1.0
C A:ASN289 4.7 23.6 1.0
N A:THR327 4.8 24.3 1.0
CA A:ASP290 4.8 20.6 1.0
C A:ILE328 4.9 20.8 1.0
CA A:GLY287 4.9 21.4 1.0

Calcium binding site 3 out of 7 in 1smp

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Calcium binding site 3 out of 7 in the Crystal Structure of A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi


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 A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca475

b:23.7
occ:1.00
 OD1 A:ASP356 2.2 22.9 1.0
O A:GLY351 2.3 21.9 1.0
O A:ALA353 2.4 24.2 1.0
O A:GLY336 2.4 25.6 1.0
O A:GLY334 2.5 23.3 1.0
OD2 A:ASP338 2.6 24.0 1.0
CG A:ASP356 2.9 23.0 1.0
OD2 A:ASP356 3.0 25.9 1.0
CG A:ASP338 3.4 19.8 1.0
C A:GLY351 3.4 21.1 1.0
C A:ALA353 3.6 20.5 1.0
C A:GLY336 3.6 24.9 1.0
C A:GLY334 3.7 21.4 1.0
C A:GLY352 3.9 19.5 1.0
OD1 A:ASP338 3.9 18.9 1.0
O A:GLY352 4.0 21.6 1.0
N A:GLY336 4.1 27.0 1.0
N A:GLY334 4.1 20.1 1.0
N A:ALA353 4.1 18.6 1.0
N A:ASP338 4.1 21.1 1.0
C A:SER335 4.2 28.2 1.0
CB A:ASP338 4.2 18.8 1.0
N A:GLY352 4.3 20.6 1.0
CA A:GLY352 4.3 18.8 1.0
O A:HOH520 4.3 21.0 1.0
CA A:GLY351 4.3 17.6 1.0
CB A:ASP356 4.3 20.9 1.0
CA A:GLY354 4.4 22.9 1.0
O A:GLY354 4.4 24.0 1.0
N A:GLY354 4.4 24.1 1.0
CA A:SER335 4.4 26.2 1.0
C A:GLY354 4.5 23.9 1.0
N A:SER335 4.5 22.7 1.0
CA A:ALA353 4.5 18.2 1.0
CA A:GLY336 4.5 24.0 1.0
N A:ASN337 4.5 22.9 1.0
CA A:GLY334 4.5 19.7 1.0
CA A:ASN337 4.6 22.6 1.0
C A:GLY333 4.6 19.6 1.0
O A:SER335 4.7 31.3 1.0
CA A:CA477 4.7 27.0 1.0
C A:ASN337 4.8 21.9 1.0
CA A:GLY333 4.8 18.2 1.0
CA A:ASP338 4.9 19.9 1.0

Calcium binding site 4 out of 7 in 1smp

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Calcium binding site 4 out of 7 in the Crystal Structure of A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi


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 A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca476

b:21.9
occ:1.00
 O A:GLY362 2.2 22.6 1.0
OD1 A:ASP365 2.3 24.6 1.0
O A:GLY360 2.3 20.1 1.0
O A:ALA345 2.3 24.0 1.0
OD1 A:ASN347 2.4 26.6 1.0
O A:ASN343 2.5 25.9 1.0
OD2 A:ASP365 2.9 24.4 1.0
CG A:ASP365 2.9 23.0 1.0
C A:GLY362 3.4 23.8 1.0
C A:GLY360 3.5 19.0 1.0
CG A:ASN347 3.5 24.9 1.0
C A:ALA345 3.6 24.9 1.0
C A:ASN343 3.7 24.1 1.0
N A:GLY362 3.7 21.5 1.0
C A:GLY361 3.9 19.5 1.0
N A:ALA345 4.0 25.8 1.0
N A:ASN347 4.1 21.2 1.0
CA A:GLY362 4.1 21.7 1.0
C A:ALA344 4.2 26.5 1.0
N A:ASN343 4.2 20.5 1.0
CA A:GLY361 4.3 19.0 1.0
CB A:ASN347 4.3 22.3 1.0
N A:GLY361 4.3 17.5 1.0
CA A:GLY360 4.3 18.2 1.0
ND2 A:ASN347 4.4 25.6 1.0
O A:GLY361 4.4 22.7 1.0
CB A:ASP365 4.4 24.7 1.0
N A:GLY363 4.4 24.9 1.0
CA A:ALA344 4.5 25.2 1.0
CA A:ALA345 4.5 24.4 1.0
N A:ASN346 4.5 23.9 1.0
N A:ALA344 4.5 24.8 1.0
CA A:ASN346 4.5 22.4 1.0
CA A:CA478 4.6 43.9 1.0
CA A:GLY363 4.6 23.8 1.0
OD1 A:ASN343 4.6 27.3 1.0
CA A:ASN343 4.6 23.2 1.0
C A:ASN346 4.7 21.5 1.0
O A:ALA344 4.7 27.1 1.0
C A:GLY363 4.7 23.5 1.0
O A:GLY363 4.8 23.1 1.0
C A:GLY342 4.8 18.8 1.0
CA A:ASN347 4.9 21.9 1.0
CA A:GLY342 5.0 16.7 1.0

Calcium binding site 5 out of 7 in 1smp

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Calcium binding site 5 out of 7 in the Crystal Structure of A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi


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 A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca477

b:27.0
occ:1.00
 O A:GLY369 2.2 24.9 1.0
O A:ALA371 2.3 29.7 1.0
OD1 A:ASP374 2.3 28.9 1.0
O A:GLY352 2.4 21.6 1.0
O A:GLY354 2.5 24.0 1.0
OD2 A:ASP356 2.5 25.9 1.0
OD2 A:ASP374 2.9 32.4 1.0
CG A:ASP374 2.9 28.2 1.0
C A:GLY369 3.4 24.4 1.0
C A:ALA371 3.4 26.6 1.0
CG A:ASP356 3.6 23.0 1.0
C A:GLY352 3.6 19.5 1.0
C A:GLY354 3.7 23.9 1.0
C A:GLY370 3.8 23.3 1.0
C A:ALA353 3.9 20.5 1.0
N A:ALA371 3.9 23.1 1.0
O A:ALA353 4.0 24.2 1.0
O A:GLY370 4.0 25.1 1.0
CA A:GLY370 4.2 23.0 1.0
N A:GLY354 4.2 24.1 1.0
N A:GLY370 4.2 25.4 1.0
C A:GLY351 4.2 21.1 1.0
CA A:ALA353 4.2 18.2 1.0
N A:ASP356 4.2 23.2 1.0
N A:GLY352 4.3 20.6 1.0
OD1 A:ASP356 4.3 22.9 1.0
CA A:ALA371 4.3 24.1 1.0
N A:GLY372 4.3 27.1 1.0
CA A:GLY369 4.3 22.8 1.0
CB A:ASP356 4.3 20.9 1.0
CB A:ASP374 4.4 25.4 1.0
N A:ALA353 4.4 18.6 1.0
CA A:GLY372 4.4 26.6 1.0
O A:GLY351 4.5 21.9 1.0
CA A:GLY351 4.5 17.6 1.0
CA A:GLY354 4.6 22.9 1.0
CA A:GLY352 4.6 18.8 1.0
N A:ASN355 4.6 23.9 1.0
C A:GLY372 4.7 27.8 1.0
CA A:ASN355 4.7 24.5 1.0
CA A:CA475 4.7 23.7 1.0
O A:GLY372 4.9 29.5 1.0
CA A:CA479 4.9 41.4 1.0
C A:ASN355 5.0 24.9 1.0
CA A:ASP356 5.0 21.4 1.0

Calcium binding site 6 out of 7 in 1smp

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Calcium binding site 6 out of 7 in the Crystal Structure of A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi


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 A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca478

b:43.9
occ:1.00
 O A:GLY363 2.2 23.1 1.0
OD1 A:ASP390 2.3 29.6 1.0
O A:ASP383 2.3 40.0 1.0
OD2 A:ASP365 2.5 24.4 1.0
O A:GLY361 2.9 22.7 1.0
CG A:ASP390 3.0 30.0 1.0
OD2 A:ASP390 3.1 32.3 1.0
O A:HOH676 3.2 56.0 1.0
C A:GLY363 3.3 23.5 1.0
C A:ASP383 3.4 38.4 1.0
CG A:ASP365 3.4 23.0 1.0
C A:GLY362 3.7 23.8 1.0
O A:GLY362 3.8 22.6 1.0
C A:GLY361 3.8 19.5 1.0
N A:ASP365 3.8 22.4 1.0
N A:GLY363 3.9 24.9 1.0
CA A:ASP383 4.1 38.1 1.0
CB A:ASP365 4.1 24.7 1.0
CA A:GLY362 4.2 21.7 1.0
CA A:GLY363 4.2 23.8 1.0
OD1 A:ASP365 4.2 24.6 1.0
N A:ALA364 4.2 24.8 1.0
N A:SER384 4.3 37.4 1.0
CA A:ALA364 4.4 23.9 1.0
O A:HOH530 4.4 49.2 1.0
N A:GLY362 4.4 21.5 1.0
CB A:ASP383 4.4 39.3 1.0
CB A:ASP390 4.5 28.4 1.0
C A:ALA364 4.5 22.6 1.0
C A:GLY360 4.6 19.0 1.0
CA A:CA476 4.6 21.9 1.0
O A:GLY360 4.6 20.1 1.0
CA A:SER384 4.6 36.5 1.0
CA A:ASP365 4.6 24.8 1.0
N A:GLY361 4.7 17.5 1.0
CB A:SER384 4.7 34.6 1.0
CA A:GLY361 4.9 19.0 1.0
CA A:GLY360 5.0 18.2 1.0

Calcium binding site 7 out of 7 in 1smp

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Calcium binding site 7 out of 7 in the Crystal Structure of A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi


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 A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca479

b:41.4
occ:1.00
 OE1 A:GLN396 2.3 54.5 1.0
O A:GLY372 2.5 29.5 1.0
OD1 A:ASP400 2.5 30.0 1.0
OD2 A:ASP374 2.6 32.4 1.0
O A:GLY370 2.7 25.1 1.0
O A:HOH512 2.8 29.2 1.0
OD2 A:ASP400 3.1 29.0 1.0
CG A:ASP400 3.2 28.1 1.0
CD A:GLN396 3.2 51.0 1.0
NE2 A:GLN396 3.6 50.7 1.0
C A:GLY372 3.6 27.8 1.0
CG A:ASP374 3.6 28.2 1.0
C A:GLY370 3.9 23.3 1.0
O A:HOH547 4.0 42.3 1.0
C A:ALA371 4.0 26.6 1.0
N A:ASP374 4.1 28.7 1.0
N A:GLY372 4.1 27.1 1.0
CB A:ASP374 4.2 25.4 1.0
O A:ALA371 4.3 29.7 1.0
CG A:GLN396 4.4 46.9 1.0
C A:GLY369 4.4 24.4 1.0
CA A:GLY372 4.4 26.6 1.0
CA A:ALA371 4.4 24.1 1.0
N A:GLY370 4.5 25.4 1.0
N A:LYS373 4.5 27.1 1.0
O A:GLY369 4.6 24.9 1.0
OD1 A:ASP374 4.6 28.9 1.0
CA A:LYS373 4.6 29.9 1.0
N A:ALA371 4.6 23.1 1.0
CB A:ASP400 4.6 27.4 1.0
CB A:GLN396 4.7 40.4 1.0
CG2 A:ILE399 4.7 32.3 1.0
CA A:GLY369 4.7 22.8 1.0
C A:LYS373 4.8 29.5 1.0
CA A:ASP374 4.8 26.2 1.0
O A:ASP394 4.9 25.5 1.0
CA A:GLY370 4.9 23.0 1.0
CA A:CA477 4.9 27.0 1.0

Reference:

U.Baumann, M.Bauer, S.Letoffe, P.Delepelaire, C.Wandersman. Crystal Structure of A Complex Between Serratia Marcescens Metallo-Protease and An Inhibitor From Erwinia Chrysanthemi. J.Mol.Biol. V. 248 653 1995.
ISSN: ISSN 0022-2836
PubMed: 7752231
DOI: 10.1006/JMBI.1995.0249
Page generated: Sat Dec 12 03:19:47 2020

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