Calcium in PDB 4hxb: Crystal Structure of 6B9 Fab

The structure of Crystal Structure of 6B9 Fab, PDB code: 4hxb was solved by A.R.Johal, H.C.Jarrell, N.H.Khieu, J.A.Letts, R.C.Landry, W.Jachymek, Q.Yang, H.J.Jennings, J.R.Brisson, S.V.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.45
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	89.641, 131.990, 36.921, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 27.9

The binding sites of Calcium atom in the Crystal Structure of 6B9 Fab (pdb code 4hxb). 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 of 6B9 Fab, PDB code: 4hxb:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of 6B9 Fab


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 6B9 Fab within 5.0Å range: probe atom residue distance (Å) B Occ L:Ca301 b:39.1 occ:1.00 O L:LYS107 2.4 20.6 1.0 N L:LEU15 3.1 17.1 1.0 C L:LYS107 3.6 18.4 1.0 CG L:LEU15 3.6 20.2 1.0 CA L:SER14 3.7 17.5 1.0 CB L:LEU15 3.8 19.1 1.0 CB L:SER14 3.8 16.9 1.0 C L:SER14 3.9 16.6 1.0 CG2 L:ILE106 4.0 19.2 1.0 CA L:LEU15 4.1 17.8 1.0 CD1 L:LEU15 4.1 21.3 1.0 CA L:ARG108 4.2 15.2 1.0 N L:ARG108 4.4 17.3 1.0 OG L:SER14 4.5 21.6 1.0 N L:LYS107 4.6 18.3 1.0 CB L:ARG108 4.6 15.0 1.0 CA L:LYS107 4.6 19.6 1.0 CD2 L:LEU15 4.9 18.6 1.0 O L:LEU15 4.9 17.9 1.0 N L:SER14 5.0 15.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of 6B9 Fab


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 6B9 Fab within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca301 b:43.2 occ:1.00 O H:SER112 2.7 17.8 1.0 O H:HOH410 2.7 25.1 1.0 O H:ALA114 2.9 20.5 1.0 CD2 H:LEU11 3.3 15.2 1.0 C H:ALA114 3.6 21.0 1.0 C H:SER112 3.7 17.2 1.0 C H:SER113 3.7 21.4 1.0 CD1 H:LEU11 3.7 18.0 1.0 CA H:SER113 3.8 20.5 1.0 NZ H:LYS13 3.9 42.8 1.0 O H:SER113 3.9 22.3 1.0 CD H:LYS13 3.9 33.6 1.0 CG H:LYS13 4.0 25.6 1.0 O H:HOH461 4.0 32.2 1.0 N H:ALA114 4.0 21.8 1.0 CG H:LEU11 4.2 18.1 1.0 N H:SER113 4.2 18.4 1.0 CA H:LYS115 4.3 23.3 1.0 N H:LYS115 4.3 22.8 1.0 CA H:ALA114 4.5 21.6 1.0 CE H:LYS13 4.5 38.4 1.0 O H:LYS12 4.5 19.0 1.0 C H:LYS12 4.7 18.5 1.0 N H:LYS13 4.7 19.1 1.0 CA H:SER112 4.8 16.7 1.0 CA H:LYS13 4.8 20.6 1.0 CB H:SER112 4.9 15.7 1.0 CB H:LYS13 5.0 21.3 1.0

A.R.Johal, H.C.Jarrell, J.A.Letts, N.H.Khieu, R.C.Landry, W.Jachymek, Q.Yang, H.J.Jennings, J.R.Brisson, S.V.Evans. The Antigen-Binding Site of An N-Propionylated Polysialic Acid-Specific Antibody Protective Against Group B Meningococci Is Consistent with Extended Epitopes. Glycobiology V. 23 946 2013.
ISSN: ISSN 0959-6658
PubMed: 23704298
DOI: 10.1093/GLYCOB/CWT031