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Calcium in PDB 4ci7: The Crystal Structure of the Cysteine Protease and Lectin-Like Domains of CWP84, A Surface Layer Associated Protein of Clostridium Difficile

Enzymatic activity of The Crystal Structure of the Cysteine Protease and Lectin-Like Domains of CWP84, A Surface Layer Associated Protein of Clostridium Difficile

All present enzymatic activity of The Crystal Structure of the Cysteine Protease and Lectin-Like Domains of CWP84, A Surface Layer Associated Protein of Clostridium Difficile:
3.4.22.15;

Protein crystallography data

The structure of The Crystal Structure of the Cysteine Protease and Lectin-Like Domains of CWP84, A Surface Layer Associated Protein of Clostridium Difficile, PDB code: 4ci7 was solved by W.J.Bradshaw, J.M.Kirby, N.Thiyagarajan, C.J.Chambers, A.H.Davies, A.K.Roberts, C.C.Shone, K.R.Acharya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 125.39 / 1.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.910, 73.490, 125.630, 90.00, 93.57, 90.00
R / Rfree (%) 13.814 / 16.909

Calcium Binding Sites:

The binding sites of Calcium atom in the The Crystal Structure of the Cysteine Protease and Lectin-Like Domains of CWP84, A Surface Layer Associated Protein of Clostridium Difficile (pdb code 4ci7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Crystal Structure of the Cysteine Protease and Lectin-Like Domains of CWP84, A Surface Layer Associated Protein of Clostridium Difficile, PDB code: 4ci7:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 4ci7

Go back to Calcium Binding Sites List in 4ci7
Calcium binding site 1 out of 2 in the The Crystal Structure of the Cysteine Protease and Lectin-Like Domains of CWP84, A Surface Layer Associated Protein of Clostridium Difficile


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of the Cysteine Protease and Lectin-Like Domains of CWP84, A Surface Layer Associated Protein of Clostridium Difficile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1505

b:11.9
occ:1.00
 O A:LEU339 2.3 10.7 1.0
O A:LYS460 2.3 12.5 1.0
OD1 A:ASN487 2.3 10.9 1.0
OE1 A:GLU448 2.4 12.3 1.0
O A:HOH2396 2.5 29.6 1.0
O A:HOH2492 2.5 18.3 1.0
O A:HOH2395 2.6 19.5 1.0
CD A:GLU448 3.4 11.0 1.0
CG A:ASN487 3.5 8.1 1.0
C A:LYS460 3.5 12.6 1.0
C A:LEU339 3.5 8.7 1.0
OE2 A:GLU448 3.6 13.1 1.0
CB A:ASN487 4.1 8.7 1.0
O A:HOH2491 4.3 14.5 1.0
N A:LYS460 4.3 12.2 1.0
CA A:GLU340 4.4 8.5 1.0
N A:GLU340 4.4 8.3 1.0
N A:ALA461 4.4 13.3 1.0
CA A:ALA461 4.4 11.5 1.0
CA A:LYS460 4.4 12.2 1.0
CA A:LEU339 4.5 9.2 1.0
ND2 A:ASN487 4.5 8.3 1.0
CB A:LEU339 4.6 10.3 1.0
CB A:GLU340 4.6 10.3 1.0
OE1 A:GLU465 4.7 13.3 1.0
CG A:GLU448 4.8 10.3 1.0
CB A:LYS460 4.8 15.8 1.0
CB A:ALA461 4.8 11.7 1.0

Calcium binding site 2 out of 2 in 4ci7

Go back to Calcium Binding Sites List in 4ci7
Calcium binding site 2 out of 2 in the The Crystal Structure of the Cysteine Protease and Lectin-Like Domains of CWP84, A Surface Layer Associated Protein of Clostridium Difficile


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of the Cysteine Protease and Lectin-Like Domains of CWP84, A Surface Layer Associated Protein of Clostridium Difficile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1499

b:14.9
occ:1.00
 O B:LYS460 2.2 16.4 1.0
O B:LEU339 2.3 14.5 1.0
O B:HOH2294 2.3 27.9 1.0
OD1 B:ASN487 2.3 13.4 1.0
O B:HOH2295 2.4 19.7 1.0
OE1 B:GLU448 2.5 14.8 1.0
O B:HOH2376 2.5 23.3 1.0
CD B:GLU448 3.4 15.2 1.0
C B:LYS460 3.5 15.4 1.0
CG B:ASN487 3.5 11.1 1.0
C B:LEU339 3.5 12.1 1.0
OE2 B:GLU448 3.6 16.9 1.0
CB B:ASN487 4.1 11.5 1.0
N B:LYS460 4.3 15.5 1.0
O B:HOH2375 4.3 16.6 1.0
N B:ALA461 4.3 14.2 1.0
CA B:ALA461 4.4 13.7 1.0
CA B:GLU340 4.4 11.3 1.0
CA B:LYS460 4.4 15.9 1.0
N B:GLU340 4.4 11.1 1.0
CA B:LEU339 4.5 12.5 1.0
ND2 B:ASN487 4.5 11.2 1.0
CB B:GLU340 4.6 12.5 1.0
CB B:LEU339 4.6 13.5 1.0
OE1 B:GLU465 4.8 16.2 1.0
CB B:LYS460 4.8 18.7 1.0
CB B:ALA461 4.8 14.2 1.0
CG B:GLU448 4.9 14.0 1.0

Reference:

W.J.Bradshaw, J.M.Kirby, N.Thiyagarajan, C.J.Chambers, A.H.Davies, A.K.Roberts, C.C.Shone, K.R.Acharya. The Structure of the Cysteine Protease and Lectin-Like Domains of CWP84, A Surface Layer-Associated Protein From Clostridium Difficile Acta Crystallogr.,Sect.D V. 70 1983 2014.
ISSN: ISSN 0907-4449
PubMed: 25004975
DOI: 10.1107/S1399004714009997
Page generated: Sat Dec 12 04:42:19 2020

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