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Calcium in PDB 1k7q: Prtc From Erwinia Chrysanthemi: E189A Mutant

Protein crystallography data

The structure of Prtc From Erwinia Chrysanthemi: E189A Mutant, PDB code: 1k7q was solved by U.Baumann, T.Hege, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.18 / 1.80
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 102.396, 102.396, 121.754, 90.00, 90.00, 120.00
R / Rfree (%) 19.7 / 21.7

Other elements in 1k7q:

The structure of Prtc From Erwinia Chrysanthemi: E189A Mutant also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Prtc From Erwinia Chrysanthemi: E189A Mutant (pdb code 1k7q). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the Prtc From Erwinia Chrysanthemi: E189A Mutant, PDB code: 1k7q:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in 1k7q

Go back to Calcium Binding Sites List in 1k7q
Calcium binding site 1 out of 7 in the Prtc From Erwinia Chrysanthemi: E189A Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Prtc From Erwinia Chrysanthemi: E189A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca480

b:13.9
occ:1.00
OD2 A:ASP302 2.2 15.1 1.0
O A:GLY299 2.3 15.2 1.0
O A:ARG265 2.3 15.2 1.0
OD1 A:ASP297 2.4 14.6 1.0
OD2 A:ASP297 2.4 14.9 1.0
O A:GLY267 2.5 15.6 1.0
OG A:SER269 2.5 15.0 1.0
CG A:ASP297 2.7 14.9 1.0
CG A:ASP302 3.1 14.7 1.0
OD1 A:ASP302 3.4 14.6 1.0
CB A:SER269 3.5 15.1 1.0
C A:ARG265 3.5 15.2 1.0
C A:GLY299 3.5 15.1 1.0
C A:GLY267 3.7 15.6 1.0
N A:SER269 3.8 15.5 1.0
N A:GLY267 4.0 15.5 1.0
C A:THR266 4.1 15.6 1.0
N A:GLY299 4.2 15.1 1.0
CB A:ARG265 4.2 14.8 1.0
CB A:ASP297 4.3 14.9 1.0
CA A:THR266 4.3 15.6 1.0
CA A:SER269 4.3 15.3 1.0
N A:THR266 4.3 15.4 1.0
CA A:GLY300 4.4 15.0 1.0
N A:GLY300 4.4 15.3 1.0
CB A:ASP302 4.4 14.6 1.0
CA A:GLY299 4.5 15.3 1.0
CA A:ARG265 4.5 15.1 1.0
CA A:GLY267 4.5 15.7 1.0
O A:THR266 4.5 15.6 1.0
C A:ASP268 4.6 15.6 1.0
O A:HOH502 4.6 12.1 1.0
N A:ASP268 4.6 15.6 1.0
C A:GLY300 4.6 15.2 1.0
CA A:ASP268 4.6 15.6 1.0
OH A:TYR271 4.8 14.5 1.0
O A:GLY300 4.8 15.2 1.0
N A:ALA298 5.0 15.1 1.0

Calcium binding site 2 out of 7 in 1k7q

Go back to Calcium Binding Sites List in 1k7q
Calcium binding site 2 out of 7 in the Prtc From Erwinia Chrysanthemi: E189A Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Prtc From Erwinia Chrysanthemi: E189A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca481

b:14.4
occ:1.00
OD1 A:ASP302 2.3 14.6 1.0
O A:THR339 2.3 15.3 1.0
O A:GLY300 2.4 15.2 1.0
O A:HOH998 2.4 14.8 1.0
OE1 A:GLU341 2.5 16.3 1.0
OE2 A:GLU341 2.5 16.5 1.0
CD A:GLU341 2.8 16.2 1.0
CG A:ASP302 3.5 14.7 1.0
C A:GLY300 3.5 15.2 1.0
C A:THR339 3.5 15.5 1.0
N A:ASP302 4.1 14.7 1.0
N A:GLY300 4.3 15.3 1.0
C A:GLY299 4.3 15.1 1.0
CB A:ASP302 4.3 14.6 1.0
CB A:THR339 4.3 15.7 1.0
OD2 A:ASP302 4.4 15.1 1.0
CG A:GLU341 4.4 16.0 1.0
O A:HOH524 4.4 15.1 1.0
N A:THR301 4.4 15.1 1.0
CA A:THR301 4.4 15.0 1.0
O A:GLY299 4.4 15.2 1.0
OD1 A:ASP297 4.4 14.6 1.0
N A:ILE340 4.4 15.3 1.0
CA A:THR339 4.5 15.6 1.0
CA A:GLY300 4.5 15.0 1.0
CA A:ILE340 4.5 15.2 1.0
CG2 A:THR339 4.6 15.8 1.0
C A:THR301 4.7 14.8 1.0
N A:GLU341 4.8 15.4 1.0
CA A:GLY299 4.8 15.3 1.0
N A:THR339 4.8 16.0 1.0
CA A:ASP302 4.9 14.6 1.0
O A:HOH555 4.9 20.6 1.0
O A:HOH570 5.0 21.4 1.0
C A:ILE340 5.0 15.4 1.0

Calcium binding site 3 out of 7 in 1k7q

Go back to Calcium Binding Sites List in 1k7q
Calcium binding site 3 out of 7 in the Prtc From Erwinia Chrysanthemi: E189A Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Prtc From Erwinia Chrysanthemi: E189A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca482

b:18.3
occ:1.00
OD1 A:ASP368 2.3 18.6 1.0
O A:GLY346 2.3 18.4 1.0
O A:GLY363 2.4 16.7 1.0
O A:ALA365 2.4 18.8 1.0
OD2 A:ASP350 2.4 19.0 1.0
O A:GLY348 2.5 19.9 1.0
OD2 A:ASP368 3.0 18.4 1.0
CG A:ASP368 3.0 18.8 1.0
CG A:ASP350 3.4 19.4 1.0
C A:GLY346 3.5 18.4 1.0
C A:GLY363 3.5 16.9 1.0
C A:ALA365 3.6 18.9 1.0
C A:GLY348 3.6 20.0 1.0
C A:GLY364 3.9 17.9 1.0
O A:GLY364 3.9 17.8 1.0
N A:GLY348 4.0 19.8 1.0
N A:GLY346 4.1 17.6 1.0
C A:SER347 4.1 19.6 1.0
CB A:ASP350 4.1 19.3 1.0
N A:ASP350 4.1 19.7 1.0
N A:ALA365 4.1 18.4 1.0
OD1 A:ASP350 4.2 19.1 1.0
CA A:GLY364 4.2 17.6 1.0
N A:GLY364 4.3 17.1 1.0
N A:SER347 4.3 18.8 1.0
CA A:SER347 4.3 19.3 1.0
CA A:GLY346 4.4 18.0 1.0
CA A:GLY366 4.4 19.4 1.0
O A:HOH527 4.4 19.7 1.0
CB A:ASP368 4.4 18.9 1.0
CA A:GLY348 4.4 19.9 1.0
N A:GLY366 4.5 19.2 1.0
CA A:GLY363 4.5 16.6 1.0
C A:GLY345 4.5 17.2 1.0
O A:SER347 4.5 19.7 1.0
CA A:ALA365 4.5 18.7 1.0
C A:GLY366 4.6 19.8 1.0
N A:ASN349 4.6 20.0 1.0
O A:GLY366 4.6 19.7 1.0
CA A:CA484 4.7 16.9 1.0
CA A:ASN349 4.8 20.1 1.0
CA A:ASP350 4.8 19.4 1.0
CA A:GLY345 4.9 17.0 1.0
C A:ASN349 4.9 20.0 1.0

Calcium binding site 4 out of 7 in 1k7q

Go back to Calcium Binding Sites List in 1k7q
Calcium binding site 4 out of 7 in the Prtc From Erwinia Chrysanthemi: E189A Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Prtc From Erwinia Chrysanthemi: E189A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca483

b:16.0
occ:1.00
O A:ASN355 2.3 17.1 1.0
O A:ALA374 2.3 16.1 1.0
OD1 A:ASN359 2.3 15.6 1.0
O A:GLY372 2.4 17.1 1.0
OD1 A:ASP377 2.4 15.4 1.0
O A:ALA357 2.4 17.1 1.0
OD2 A:ASP377 3.0 15.3 1.0
CG A:ASP377 3.0 15.5 1.0
CG A:ASN359 3.4 15.7 1.0
C A:GLY372 3.5 17.2 1.0
C A:ASN355 3.5 17.4 1.0
C A:ALA374 3.6 16.2 1.0
C A:ALA357 3.6 17.4 1.0
N A:ASN355 4.0 17.5 1.0
C A:GLY373 4.0 16.8 1.0
N A:ALA357 4.1 17.7 1.0
C A:SER356 4.1 17.9 1.0
N A:ASN359 4.1 16.3 1.0
O A:GLY373 4.2 16.9 1.0
N A:ALA374 4.2 16.6 1.0
CB A:ASN359 4.2 15.9 1.0
ND2 A:ASN359 4.3 15.5 1.0
CA A:GLY372 4.4 17.6 1.0
N A:GLY373 4.4 17.0 1.0
CA A:SER356 4.4 17.9 1.0
CA A:GLY375 4.4 16.1 1.0
N A:SER356 4.4 17.6 1.0
CA A:GLY373 4.4 16.8 1.0
O A:SER356 4.4 17.9 1.0
CA A:ASN355 4.4 17.4 1.0
N A:GLY375 4.4 16.1 1.0
CB A:ASP377 4.5 15.5 1.0
OD1 A:ASN355 4.5 16.5 1.0
CA A:ALA357 4.5 17.6 1.0
CA A:ALA374 4.5 16.4 1.0
N A:ASP358 4.6 17.1 1.0
CA A:CA487 4.6 16.9 1.0
CA A:ASP358 4.6 17.1 1.0
C A:GLY354 4.6 17.7 1.0
O A:GLY375 4.6 15.9 1.0
C A:GLY375 4.6 15.9 1.0
C A:ASP358 4.8 16.7 1.0
CA A:GLY354 4.8 17.7 1.0
CA A:ASN359 4.8 16.0 1.0

Calcium binding site 5 out of 7 in 1k7q

Go back to Calcium Binding Sites List in 1k7q
Calcium binding site 5 out of 7 in the Prtc From Erwinia Chrysanthemi: E189A Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Prtc From Erwinia Chrysanthemi: E189A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca484

b:16.9
occ:1.00
OD1 A:ASP386 2.3 21.3 1.0
O A:GLY364 2.3 17.8 1.0
O A:GLY381 2.3 18.5 1.0
OD2 A:ASP368 2.3 18.4 1.0
O A:ALA383 2.4 21.6 1.0
O A:GLY366 2.4 19.7 1.0
OD2 A:ASP386 2.9 21.4 1.0
CG A:ASP386 2.9 21.5 1.0
C A:GLY381 3.5 18.6 1.0
CG A:ASP368 3.5 18.8 1.0
C A:GLY364 3.5 17.9 1.0
C A:ALA383 3.6 21.4 1.0
C A:GLY366 3.6 19.8 1.0
C A:GLY382 3.7 20.0 1.0
C A:ALA365 3.8 18.9 1.0
O A:GLY382 3.8 20.0 1.0
O A:ALA365 3.9 18.8 1.0
N A:GLY366 4.0 19.2 1.0
CA A:GLY382 4.1 19.6 1.0
N A:ALA383 4.1 20.6 1.0
N A:ASP368 4.1 19.6 1.0
CB A:ASP368 4.1 18.9 1.0
N A:GLY382 4.2 18.9 1.0
CA A:ALA365 4.2 18.7 1.0
C A:GLY363 4.3 16.9 1.0
N A:GLY364 4.3 17.1 1.0
N A:ALA365 4.3 18.4 1.0
CA A:GLY384 4.4 22.3 1.0
CA A:GLY366 4.4 19.4 1.0
CB A:ASP386 4.4 21.7 1.0
N A:GLY384 4.4 21.9 1.0
OD1 A:ASP368 4.4 18.6 1.0
CA A:GLY381 4.5 18.2 1.0
O A:GLY363 4.5 16.7 1.0
CA A:ALA383 4.5 21.2 1.0
N A:ASN367 4.5 20.0 1.0
CA A:GLY364 4.6 17.6 1.0
CA A:ASN367 4.7 20.2 1.0
C A:GLY384 4.7 22.8 1.0
CA A:GLY363 4.7 16.6 1.0
CA A:CA485 4.7 24.4 1.0
CA A:CA482 4.7 18.3 1.0
CA A:ASP368 4.8 19.2 1.0
C A:ASN367 4.8 20.1 1.0
O A:GLY384 4.9 22.6 1.0

Calcium binding site 6 out of 7 in 1k7q

Go back to Calcium Binding Sites List in 1k7q
Calcium binding site 6 out of 7 in the Prtc From Erwinia Chrysanthemi: E189A Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Prtc From Erwinia Chrysanthemi: E189A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca485

b:24.4
occ:1.00
OD2 A:ASP386 2.3 21.4 1.0
OE1 A:GLN408 2.3 25.0 1.0
O A:GLY382 2.4 20.0 1.0
O A:GLY384 2.5 22.6 1.0
OD1 A:ASP412 2.5 23.0 1.0
O A:HOH518 2.5 17.4 1.0
CG A:ASP412 3.3 23.4 1.0
OD2 A:ASP412 3.3 23.4 1.0
CG A:ASP386 3.4 21.5 1.0
CD A:GLN408 3.5 24.8 1.0
C A:GLY384 3.5 22.8 1.0
C A:GLY382 3.7 20.0 1.0
CB A:ASP386 3.9 21.7 1.0
C A:ALA383 3.9 21.4 1.0
N A:GLY384 4.0 21.9 1.0
N A:ASP386 4.0 22.5 1.0
O A:ALA383 4.2 21.6 1.0
C A:GLY381 4.2 18.6 1.0
N A:GLY382 4.3 18.9 1.0
CG A:GLN408 4.3 24.3 1.0
CA A:GLY384 4.3 22.3 1.0
CA A:ALA383 4.4 21.2 1.0
OD1 A:ASP386 4.4 21.3 1.0
O A:GLY381 4.5 18.5 1.0
N A:ALA383 4.5 20.6 1.0
NE2 A:GLN408 4.5 24.9 1.0
N A:ARG385 4.5 23.1 1.0
CA A:GLY381 4.5 18.2 1.0
CA A:GLY382 4.6 19.6 1.0
CA A:ASP386 4.7 22.0 1.0
CB A:ASP412 4.7 23.4 1.0
CA A:CA484 4.7 16.9 1.0
CA A:ARG385 4.7 23.5 1.0
CB A:GLN408 4.7 23.7 1.0
CG2 A:ILE411 4.8 24.5 1.0
C A:ARG385 4.8 23.2 1.0
O A:HOH653 5.0 21.6 1.0

Calcium binding site 7 out of 7 in 1k7q

Go back to Calcium Binding Sites List in 1k7q
Calcium binding site 7 out of 7 in the Prtc From Erwinia Chrysanthemi: E189A Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Prtc From Erwinia Chrysanthemi: E189A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca487

b:16.9
occ:1.00
OD2 A:ASP377 2.3 15.3 1.0
O A:ASP395 2.3 19.2 1.0
O A:GLY373 2.4 16.9 1.0
O A:GLY375 2.4 15.9 1.0
O A:HOH547 2.4 19.0 1.0
OD1 A:ASP402 2.4 17.1 1.0
CG A:ASP402 3.3 17.0 1.0
CG A:ASP377 3.4 15.5 1.0
C A:ASP395 3.5 19.5 1.0
OD2 A:ASP402 3.5 17.4 1.0
C A:GLY375 3.6 15.9 1.0
C A:GLY373 3.6 16.8 1.0
O A:ALA374 3.8 16.1 1.0
C A:ALA374 3.8 16.2 1.0
N A:ASP377 4.1 15.6 1.0
CB A:ASP377 4.1 15.5 1.0
N A:GLY375 4.1 16.1 1.0
C A:GLY372 4.1 17.2 1.0
CA A:ASP395 4.2 20.0 1.0
N A:GLY373 4.2 17.0 1.0
CA A:ALA374 4.3 16.4 1.0
O A:GLY372 4.3 17.1 1.0
OD1 A:ASP377 4.3 15.4 1.0
CA A:GLY375 4.4 16.1 1.0
N A:ALA374 4.4 16.6 1.0
CA A:GLY372 4.5 17.6 1.0
N A:SER396 4.5 18.8 1.0
CA A:GLY373 4.5 16.8 1.0
N A:ALA376 4.5 15.9 1.0
CB A:ASP395 4.6 20.2 1.0
CA A:CA483 4.6 16.0 1.0
CB A:ASP402 4.6 16.8 1.0
CA A:SER396 4.7 18.2 1.0
CA A:ALA376 4.7 15.6 1.0
CA A:ASP377 4.7 15.8 1.0
O A:HOH509 4.8 17.0 1.0
C A:ALA376 4.8 15.6 1.0
CB A:SER396 4.9 18.1 1.0

Reference:

T.Hege, U.Baumann. Protease C of Erwinia Chrysanthemi: the Crystal Structure and Role of Amino Acids Y228 and E189 J.Mol.Biol. V. 314 187 2001.
ISSN: ISSN 0022-2836
PubMed: 11718553
DOI: 10.1006/JMBI.2001.5124
Page generated: Thu Jul 11 11:09:53 2024

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