Calcium in PDB 8ux6: Structure of FAB201 with A T. Parva Sporozoite Neutralizing B Cell Epitope of P67

The structure of Structure of FAB201 with A T. Parva Sporozoite Neutralizing B Cell Epitope of P67, PDB code: 8ux6 was solved by A.U.Singer, A.Gopalsamy, F.A.Fellouse, S.Miersch, S.S.Sidhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.52 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	39.01, 75.56, 90.591, 69.26, 77.6, 76.08
R / Rfree (%)	20.4 / 25.1

The structure of Structure of FAB201 with A T. Parva Sporozoite Neutralizing B Cell Epitope of P67 also contains other interesting chemical elements:

Sodium	(Na)	6 atoms
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Structure of FAB201 with A T. Parva Sporozoite Neutralizing B Cell Epitope of P67 (pdb code 8ux6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structure of FAB201 with A T. Parva Sporozoite Neutralizing B Cell Epitope of P67, PDB code: 8ux6:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Structure of FAB201 with A T. Parva Sporozoite Neutralizing B Cell Epitope of P67


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of FAB201 with A T. Parva Sporozoite Neutralizing B Cell Epitope of P67 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca305 b:49.4 occ:1.00 O C:SER36 2.8 39.3 1.0 O C:GLY84 2.9 38.9 1.0 N C:SER36 3.0 41.4 1.0 N C:VAL29 3.1 39.1 1.0 CZ C:PHE87 3.5 30.3 1.0 NH2 C:ARG80 3.5 47.1 1.0 C C:VAL29 3.5 35.2 1.0 C C:SER36 3.6 39.8 1.0 CA C:SER36 3.6 38.5 1.0 CG2 C:VAL29 3.6 34.4 1.0 NE C:ARG80 3.6 43.2 1.0 CZ C:ARG80 3.7 48.3 1.0 CA C:VAL29 3.8 38.3 1.0 OG C:SER28 3.8 55.8 1.0 CA C:SER28 3.9 40.5 1.0 CE1 C:PHE87 3.9 30.1 1.0 C C:SER28 3.9 42.0 1.0 C C:GLY84 4.0 41.0 1.0 CB C:VAL29 4.3 31.8 1.0 CA C:THR85 4.4 41.4 1.0 O C:VAL29 4.4 37.5 1.0 CB C:SER28 4.4 50.8 1.0 CD C:ARG80 4.5 38.0 1.0 N C:THR85 4.6 41.0 1.0 CE2 C:PHE87 4.6 29.5 1.0 NH1 C:ARG80 4.6 49.0 1.0 N C:SER37 4.8 44.0 1.0 O C:GLN27 4.9 36.7 1.0 OG1 C:THR85 5.0 52.1 1.0

Calcium binding site 2 out of 3 in the Structure of FAB201 with A T. Parva Sporozoite Neutralizing B Cell Epitope of P67


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of FAB201 with A T. Parva Sporozoite Neutralizing B Cell Epitope of P67 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca306 b:80.2 occ:1.00 OG C:SER93 2.4 62.5 1.0 O C:HOH492 2.4 49.0 1.0 O C:HOH484 2.4 47.8 1.0 O C:HOH461 2.9 46.1 1.0 CB C:SER93 3.0 49.3 1.0 NE2 C:GLN95 4.2 59.4 1.0 O C:SER93 4.3 58.5 1.0 CA C:SER93 4.3 46.2 1.0 CD C:GLN95 4.4 63.2 1.0 CG C:GLN95 4.7 55.2 1.0 C C:SER93 4.7 55.1 1.0 OE1 C:GLN95 4.8 63.6 1.0 N C:SER93 4.9 44.2 1.0 O C:HOH509 4.9 39.0 1.0 O C:HOH507 4.9 44.9 1.0 O C:HOH508 5.0 47.9 1.0

Calcium binding site 3 out of 3 in the Structure of FAB201 with A T. Parva Sporozoite Neutralizing B Cell Epitope of P67


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of FAB201 with A T. Parva Sporozoite Neutralizing B Cell Epitope of P67 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:82.5 occ:1.00 O A:HOH471 2.3 58.7 1.0 O A:HOH462 2.8 51.9 1.0 O A:VAL71 3.7 52.8 1.0 O A:GLY70 4.0 66.1 1.0 CA A:PRO72 4.1 46.1 1.0 C A:VAL71 4.2 49.7 1.0 C A:GLY70 4.3 59.7 1.0 N A:PRO72 4.4 43.3 1.0 CA A:GLY70 4.7 58.2 1.0 C A:PRO72 4.7 54.2 1.0 N A:VAL71 4.7 54.9 1.0 N A:SER74 4.8 51.5 1.0

S.Miersch, A.U.Singer, C.Chen, A.Gopalsamy, L.Da Costa, A.Lacasta, H.Chege, N.Chege, F.Sicheri, V.Nene, S.S.Sidhu. Molecular Characterization of A Novel Conformational Sporozoite Neutralizing B Cell Epitope in P67 of Theileria Parva To Be Published.