Calcium in PDB 2wbf: Crystal Structure Analysis of SERA5E From Plasmodium Falciparum with Loop 690-700 Ordered

The structure of Crystal Structure Analysis of SERA5E From Plasmodium Falciparum with Loop 690-700 Ordered, PDB code: 2wbf was solved by B.J.Smith, R.L.Malby, P.M.Colman, O.B.Clarke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.55 / 1.60
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	102.360, 102.360, 71.400, 90.00, 90.00, 120.00
R / Rfree (%)	15.2 / 18

The structure of Crystal Structure Analysis of SERA5E From Plasmodium Falciparum with Loop 690-700 Ordered also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Calcium atom in the Crystal Structure Analysis of SERA5E From Plasmodium Falciparum with Loop 690-700 Ordered (pdb code 2wbf). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure Analysis of SERA5E From Plasmodium Falciparum with Loop 690-700 Ordered, PDB code: 2wbf:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure Analysis of SERA5E From Plasmodium Falciparum with Loop 690-700 Ordered


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure Analysis of SERA5E From Plasmodium Falciparum with Loop 690-700 Ordered within 5.0Å range: probe atom residue distance (Å) B Occ X:Ca1829 b:19.1 occ:1.00 OD1 X:ASN740 2.4 15.8 1.0 OE2 X:GLU739 2.4 19.9 1.0 OD1 X:ASP757 2.5 16.4 0.5 OD2 X:ASP757 2.5 16.9 0.6 O X:HOH2167 2.6 27.9 1.0 O X:HOH2165 2.6 20.1 1.0 OD1 X:ASP757 2.6 18.4 0.6 OD2 X:ASP757 2.9 18.4 0.5 CG X:ASP757 2.9 13.5 0.6 CG X:ASP757 3.0 54.7 0.5 HD22 X:ASN740 3.4 23.4 1.0 CG X:ASN740 3.4 16.7 1.0 HG3 X:GLU739 3.4 67.2 1.0 CD X:GLU739 3.4 34.0 1.0 ND2 X:ASN740 3.8 15.0 1.0 CG X:GLU739 3.9 33.2 1.0 HG2 X:GLU739 4.0 67.2 1.0 CB X:ASP757 4.4 14.6 0.6 HA X:ASN740 4.4 18.4 1.0 CB X:ASP757 4.5 14.6 0.5 OE1 X:GLU739 4.5 34.6 1.0 CB X:ASN740 4.7 12.7 1.0 HD21 X:ASN740 4.8 23.4 1.0 HB3 X:LYS737 4.9 35.1 0.5 HB3 X:ASP757 4.9 22.4 0.5 O X:HOH2166 4.9 45.1 1.0 CD X:LYS737 4.9 20.4 0.6 O X:CYS755 4.9 19.0 1.0 O X:GLY756 4.9 15.3 1.0 HA X:ASP757 5.0 34.1 0.5 CA X:ASN740 5.0 12.9 1.0 HB2 X:ASP757 5.0 22.4 0.5

Calcium binding site 2 out of 2 in the Crystal Structure Analysis of SERA5E From Plasmodium Falciparum with Loop 690-700 Ordered


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure Analysis of SERA5E From Plasmodium Falciparum with Loop 690-700 Ordered within 5.0Å range: probe atom residue distance (Å) B Occ X:Ca1836 b:14.2 occ:0.78 O X:ASP758 2.3 15.9 1.0 O X:HOH2234 2.4 14.6 1.0 OD1 X:ASP758 2.4 15.9 1.0 O X:HOH2129 2.5 19.6 1.0 OE2 X:GLU709 2.5 23.6 1.0 OE1 X:GLU709 2.6 28.3 1.0 CD X:GLU709 2.9 25.7 1.0 C X:ASP758 3.3 16.7 1.0 HA X:ASP758 3.4 23.5 1.0 CG X:ASP758 3.5 35.3 1.0 CA X:ASP758 3.8 15.0 1.0 CB X:ASP758 4.2 15.2 1.0 HE2 X:PHE811 4.2 45.8 1.0 O X:HOH2130 4.2 21.3 1.0 NE2 X:HIS815 4.3 12.1 1.0 O X:HOH2172 4.3 24.4 1.0 OD2 X:ASP758 4.3 25.7 1.0 HA X:THR759 4.3 16.7 1.0 HG21 X:THR759 4.4 30.0 1.0 O X:HOH2170 4.4 28.3 1.0 O X:HOH2131 4.4 28.9 1.0 CG X:GLU709 4.5 18.7 1.0 HD2 X:HIS815 4.5 16.0 1.0 N X:THR759 4.5 12.7 1.0 HB3 X:ASP758 4.5 24.0 1.0 CE2 X:PHE811 4.6 24.3 1.0 HG22 X:THR759 4.7 30.0 1.0 CD2 X:HIS815 4.8 11.9 1.0 HG3 X:GLU709 4.8 32.2 1.0 HD2 X:PHE811 4.8 33.7 1.0 HG2 X:GLU709 4.9 32.2 1.0 CA X:THR759 4.9 12.2 1.0 CG2 X:THR759 5.0 17.7 1.0 CD2 X:PHE811 5.0 19.3 1.0 HB2 X:ASP758 5.0 24.0 1.0

A.N.Hodder, R.L.Malby, O.B.Clarke, W.D.Fairlie, P.M.Colman, B.S.Crabb, B.J.Smith. Structural Insights Into the Protease-Like Antigen Plasmodium Falciparum SERA5 and Its Noncanonical Active-Site Serine. J. Mol. Biol. V. 392 154 2009.
ISSN: ESSN 1089-8638
PubMed: 19591843
DOI: 10.1016/J.JMB.2009.07.007