Chlorine in PDB 8tuz: Fab 857-2 in Complex with Ospa

The structure of Fab 857-2 in Complex with Ospa, PDB code: 8tuz was solved by M.J.Rudolph, N.Mantis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.89 / 2.19
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.847, 124.501, 144.349, 90, 90, 90
R / Rfree (%)	17.7 / 23.9

The binding sites of Chlorine atom in the Fab 857-2 in Complex with Ospa (pdb code 8tuz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Fab 857-2 in Complex with Ospa, PDB code: 8tuz:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Fab 857-2 in Complex with Ospa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fab 857-2 in Complex with Ospa within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl303 b:68.1 occ:1.00 O L:HOH482 2.8 66.5 1.0 O L:LEU98 3.5 40.9 1.0 CE3 H:TRP47 3.5 38.6 1.0 N L:LEU98 3.5 32.8 1.0 CG L:ARG97 3.6 50.5 1.0 OG H:SER61 3.6 46.1 1.0 CZ3 H:TRP47 3.6 45.5 1.0 CB L:ARG97 3.7 44.2 1.0 CA L:ARG97 3.7 36.8 1.0 O L:HOH479 3.8 61.6 1.0 O H:HOH402 4.0 46.9 1.0 C L:ARG97 4.1 45.0 1.0 C L:LEU98 4.2 41.2 1.0 CB H:SER61 4.3 48.4 1.0 CD H:PRO62 4.4 47.9 1.0 CA L:LEU98 4.5 38.5 1.0 CG H:PRO62 4.5 50.2 1.0 CA H:SER61 4.7 41.7 1.0 CD L:ARG97 4.7 53.8 1.0 OG1 L:THR99 4.8 58.9 1.0 CD2 H:TRP47 4.8 41.4 1.0 O L:HOH420 4.8 40.4 1.0 O L:HIS96 4.8 44.9 1.0 O H:PRO62 4.9 74.1 1.0

Chlorine binding site 2 out of 7 in the Fab 857-2 in Complex with Ospa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Fab 857-2 in Complex with Ospa within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl304 b:83.0 occ:1.00 OD2 H:ASP217 3.3 63.7 1.0 CG H:ASP217 4.4 59.2 1.0 O H:HOH499 4.6 54.6 1.0 CB H:ASP217 4.8 47.4 1.0 O H:HOH481 5.0 52.4 1.0

Chlorine binding site 3 out of 7 in the Fab 857-2 in Complex with Ospa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Fab 857-2 in Complex with Ospa within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl305 b:80.5 occ:1.00 N H:ALA146 3.3 45.0 1.0 CA H:ALA145 3.6 44.5 1.0 O H:HOH445 3.7 65.9 1.0 N H:SER136 3.8 62.1 1.0 CB H:ALA145 3.8 41.5 1.0 CD1 L:PHE118 3.9 38.2 1.0 O H:ALA146 3.9 42.9 1.0 C H:ALA145 4.0 46.2 1.0 CE1 L:PHE118 4.3 36.2 1.0 CB H:SER136 4.3 78.8 1.0 CA H:ALA146 4.3 38.8 1.0 CA H:PRO135 4.4 50.0 1.0 CB H:ALA146 4.6 38.8 1.0 C H:ALA146 4.6 37.4 1.0 CB H:PRO135 4.6 52.5 1.0 CA H:SER136 4.6 75.1 1.0 O H:THR144 4.6 49.3 1.0 C H:PRO135 4.6 54.6 1.0 O H:SER136 4.8 81.3 1.0 N H:ALA145 4.9 43.1 1.0

Chlorine binding site 4 out of 7 in the Fab 857-2 in Complex with Ospa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Fab 857-2 in Complex with Ospa within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl306 b:122.6 occ:1.00 N H:LEU179 3.4 31.3 1.0 CA H:VAL178 3.9 35.5 1.0 C H:VAL178 4.2 32.7 1.0 CB H:LEU179 4.2 35.0 1.0 CG1 H:VAL178 4.2 52.5 1.0 CA H:LEU179 4.3 31.7 1.0 O H:LEU179 4.3 35.3 1.0 CG2 H:VAL178 4.4 52.8 1.0 CB H:VAL178 4.4 48.1 1.0 NE2 L:GLN162 4.7 42.8 1.0 O H:ALA177 4.7 31.2 1.0 C H:LEU179 4.8 32.8 1.0 O H:HOH493 4.8 58.7 1.0

Chlorine binding site 5 out of 7 in the Fab 857-2 in Complex with Ospa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Fab 857-2 in Complex with Ospa within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl302 b:77.3 occ:1.00 N L:HIS96 3.5 54.7 1.0 CB L:PRO95 3.6 63.4 1.0 CA L:PRO95 3.6 57.4 1.0 C L:PRO95 4.1 47.3 1.0 CD H:ARG59 4.2 66.6 1.0 CB L:HIS96 4.3 42.5 1.0 O L:GLY93 4.4 93.4 1.0 NE H:ARG59 4.4 71.7 1.0 CA L:HIS96 4.5 39.8 1.0 CG H:ARG59 4.6 52.2 1.0 N L:PRO95 5.0 62.5 1.0 CZ H:ARG59 5.0 61.6 1.0

Chlorine binding site 6 out of 7 in the Fab 857-2 in Complex with Ospa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Fab 857-2 in Complex with Ospa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:79.9 occ:1.00 O A:GLY142 3.8 51.6 1.0 O A:LEU162 3.9 47.9 1.0 C A:LEU162 4.2 46.7 1.0 O A:HOH464 4.2 41.0 1.0 C A:GLY142 4.3 47.1 1.0 CA A:LYS163 4.4 49.0 1.0 N A:LYS163 4.4 43.5 1.0 CG1 A:VAL161 4.5 37.0 1.0 O A:VAL161 4.5 41.6 1.0 N A:THR143 4.6 41.5 1.0 CA A:THR143 4.7 42.3 1.0 O A:HOH424 4.7 50.4 1.0 O A:HOH444 4.8 46.0 1.0 CA A:LEU162 5.0 43.4 1.0 C A:VAL161 5.0 38.1 1.0

Chlorine binding site 7 out of 7 in the Fab 857-2 in Complex with Ospa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Fab 857-2 in Complex with Ospa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:81.9 occ:1.00 O A:HOH477 2.3 54.7 1.0 O A:VAL179 2.9 54.2 1.0 N A:GLU168 3.2 50.0 1.0 O A:VAL166 3.6 51.3 1.0 CA A:LEU167 3.7 49.4 1.0 C A:LEU167 4.0 55.0 1.0 CG2 A:VAL180 4.0 45.4 1.0 C A:VAL179 4.1 56.0 1.0 O A:GLU168 4.1 45.5 1.0 CA A:GLU168 4.2 50.9 1.0 CB A:GLU168 4.3 54.3 1.0 CD2 A:LEU167 4.5 42.4 1.0 CB A:LEU167 4.5 44.7 1.0 CA A:VAL180 4.5 51.4 1.0 C A:VAL166 4.5 45.7 1.0 N A:LEU167 4.6 47.9 1.0 C A:GLU168 4.7 46.5 1.0 N A:VAL180 4.7 56.6 1.0 CB A:VAL180 4.7 47.7 1.0 O A:HOH472 4.7 58.1 1.0 CD1 A:LEU265 4.8 38.9 1.0 CG A:GLU168 4.9 68.5 1.0 CG1 A:VAL180 5.0 46.1 1.0 N A:VAL179 5.0 47.8 1.0

M.J.Rudolph, N.Mantis. Fab 857-2 in Complex with Ospa To Be Published.