Chlorine 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:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure Analysis of SERA5E From Plasmodium Falciparum with Loop 690-700 Ordered, PDB code: 2wbf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 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 Chlorine with other atoms in the Cl 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:Cl1830 b:16.2 occ:1.00 H X:SER640 2.7 15.6 1.0 HB3 X:TRP597 2.8 11.5 1.0 HH X:TYR735 2.8 15.8 1.0 OH X:TYR735 3.0 11.8 1.0 O X:HOH2037 3.1 12.0 1.0 HA3 X:GLY639 3.1 18.2 1.0 HE2 X:TYR735 3.2 11.9 1.0 N X:SER640 3.4 11.8 1.0 O X:SER640 3.6 19.1 1.0 CB X:TRP597 3.7 10.0 1.0 HD1 X:TRP597 3.8 12.4 1.0 CE2 X:TYR735 3.8 10.2 1.0 CZ X:TYR735 3.9 10.1 1.0 C X:SER640 3.9 16.0 1.0 CA X:GLY639 4.0 12.8 1.0 HB2 X:TRP597 4.1 11.5 1.0 O X:HOH2034 4.1 19.6 1.0 C X:GLY639 4.2 12.9 1.0 H X:TRP597 4.2 11.2 1.0 CD1 X:TRP597 4.2 10.4 1.0 CG X:TRP597 4.2 10.3 1.0 HA X:SER641 4.3 15.3 1.0 CA X:SER640 4.3 11.0 1.0 HG X:SER596 4.4 11.3 1.0 HA2 X:GLY639 4.4 18.2 1.0 O X:ASP761 4.6 12.9 1.0 N X:SER641 4.6 11.9 1.0 CA X:TRP597 4.7 9.9 1.0 N X:TRP597 4.7 9.9 1.0 HA X:TRP597 4.7 11.2 1.0 HA X:SER640 4.8 13.7 1.0 HB2 X:ALA763 4.8 11.3 1.0 H X:GLY639 4.8 14.6 1.0 CA X:SER641 4.9 11.6 1.0 OG X:SER596 5.0 9.9 1.0 HA X:HIS762 5.0 12.3 1.0 N X:GLY639 5.0 11.3 1.0

Chlorine binding site 2 out of 4 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 Chlorine with other atoms in the Cl 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:Cl1831 b:18.9 occ:1.00 H X:ASP637 2.3 18.6 1.0 H X:CYS636 2.5 16.6 1.0 HB3 X:ASP634 2.8 27.2 1.0 HA X:ASP634 3.1 29.9 1.0 HB3 X:CYS636 3.1 28.1 1.0 N X:ASP637 3.2 13.0 1.0 HB2 X:ASP637 3.2 27.5 1.0 N X:CYS636 3.3 12.2 1.0 C X:ASP634 3.4 18.7 1.0 H X:ARG635 3.4 28.3 1.0 CB X:ASP634 3.5 16.6 1.0 CA X:ASP634 3.5 17.7 1.0 N X:ARG635 3.5 17.0 1.0 CB X:ASP637 3.8 16.7 1.0 CG X:ASP637 3.9 22.7 1.0 CB X:CYS636 3.9 16.9 1.0 CA X:CYS636 3.9 12.0 1.0 O X:ASP634 4.0 23.2 1.0 C X:CYS636 4.0 14.2 1.0 OD2 X:ASP637 4.0 25.0 1.0 CG X:ASP634 4.1 22.2 1.0 CA X:ASP637 4.1 12.4 1.0 HB2 X:CYS636 4.2 28.1 1.0 O X:HOH2087 4.2 19.1 1.0 O X:HOH2060 4.2 41.1 1.0 HB2 X:ASP634 4.3 27.2 1.0 C X:ARG635 4.3 12.0 1.0 OD1 X:ASP637 4.3 25.3 1.0 OD1 X:ASP634 4.4 26.5 1.0 H X:GLU638 4.4 16.8 1.0 CA X:ARG635 4.5 13.8 1.0 HB3 X:ASP637 4.7 27.5 1.0 OD2 X:ASP634 4.7 18.9 1.0 HA X:ASP637 4.8 17.2 1.0 HA X:CYS636 4.8 16.2 1.0 O X:HOH2056 4.9 20.2 1.0 N X:ASP634 4.9 18.5 1.0 HG2 X:GLU638 4.9 28.6 1.0 N X:GLU638 4.9 12.3 1.0

Chlorine binding site 3 out of 4 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl1833 b:28.8 occ:1.00 HG2 X:LYS701 2.7 30.3 1.0 HE2 X:LYS701 3.6 35.8 1.0 CG X:LYS701 3.6 26.7 1.0 HD3 X:LYS701 3.7 28.3 1.0 HA X:LYS701 3.7 20.0 1.0 CD X:LYS701 4.0 25.1 1.0 HG3 X:LYS701 4.3 30.3 1.0 HB3 X:LYS701 4.3 19.6 1.0 CE X:LYS701 4.3 31.4 1.0 CB X:LYS701 4.4 17.8 1.0 CA X:LYS701 4.5 18.2 1.0 O X:HOH2118 4.6 35.9 1.0 O X:HOH2120 4.7 17.7 1.0 HE3 X:LYS701 4.9 35.8 1.0 HD2 X:LYS701 5.0 28.3 1.0

Chlorine binding site 4 out of 4 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 Chlorine with other atoms in the Cl binding site number 4 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:Cl1835 b:48.5 occ:1.00 HD21 X:ASN580 2.4 66.2 1.0 HB3 X:CYS581 3.0 21.7 1.0 ND2 X:ASN580 3.1 56.6 1.0 HG13 X:ILE582 3.1 21.8 1.0 HB3 X:CYS610 3.2 26.8 1.0 H X:ILE582 3.3 21.6 1.0 HD22 X:ASN580 3.3 66.2 1.0 H X:CYS581 3.4 30.5 1.0 HD11 X:ILE582 3.5 19.3 1.0 CB X:CYS581 3.9 19.6 1.0 CG1 X:ILE582 3.9 19.6 1.0 HD3 X:ARG574 3.9 31.0 1.0 HB2 X:ASN580 4.0 43.5 1.0 CD1 X:ILE582 4.0 17.6 1.0 N X:ILE582 4.0 19.5 1.0 SD X:MET611 4.0 24.1 1.0 HB2 X:CYS581 4.0 21.7 1.0 HD13 X:ILE582 4.0 19.3 1.0 N X:CYS581 4.1 26.9 1.0 HB X:ILE582 4.1 18.9 1.0 HA X:MET611 4.1 23.1 1.0 CB X:CYS610 4.2 16.4 1.0 O X:CYS610 4.2 21.1 1.0 CG X:ASN580 4.2 51.2 1.0 C X:CYS610 4.4 18.5 1.0 CA X:CYS581 4.4 18.2 1.0 HB2 X:CYS610 4.5 26.8 1.0 CB X:ILE582 4.5 17.2 1.0 CB X:ASN580 4.6 37.8 1.0 HG12 X:ILE582 4.7 21.8 1.0 HE X:ARG574 4.7 44.1 1.0 N X:MET611 4.7 20.4 1.0 C X:CYS581 4.8 21.8 1.0 CD X:ARG574 4.8 18.1 1.0 CA X:MET611 4.9 20.7 1.0 NE X:ARG574 4.9 23.6 1.0 CA X:ILE582 4.9 14.9 1.0 CA X:CYS610 4.9 14.4 1.0 HD12 X:ILE582 4.9 19.3 1.0 C X:ASN580 5.0 46.3 1.0 HE2 X:MET611 5.0 23.6 1.0 O X:HOH2042 5.0 38.7 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