Chlorine in PDB 7t25: Ospa-Fab 319-44 Complex Structure

The structure of Ospa-Fab 319-44 Complex Structure, PDB code: 7t25 was solved by M.J.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.95 / 2.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	254.208, 44.117, 143.219, 90, 101.23, 90
R / Rfree (%)	19.1 / 23.3

The structure of Ospa-Fab 319-44 Complex Structure also contains other interesting chemical elements:

Iodine

(I)

5 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 29;

Binding sites:

The binding sites of Chlorine atom in the Ospa-Fab 319-44 Complex Structure (pdb code 7t25). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 29 binding sites of Chlorine where determined in the Ospa-Fab 319-44 Complex Structure, PDB code: 7t25:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 29 in the Ospa-Fab 319-44 Complex Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ospa-Fab 319-44 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:41.0 occ:1.00 O H:HOH548 2.4 53.5 1.0 CA H:PRO205 4.1 30.7 1.0 O H:LYS204 4.3 29.7 1.0 N H:PRO205 4.3 28.3 1.0 C H:LYS204 4.4 28.0 1.0 O H:HOH577 4.5 45.5 1.0 CB H:LYS204 4.6 37.9 1.0 O H:HOH488 4.7 44.4 1.0 O H:HOH578 4.7 49.2 1.0 CB H:PRO205 4.8 30.9 1.0 CG H:PRO205 4.8 31.4 1.0 CD H:PRO205 5.0 27.2 1.0

Chlorine binding site 2 out of 29 in the Ospa-Fab 319-44 Complex Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ospa-Fab 319-44 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl302 b:43.6 occ:1.00 O H:HOH410 2.5 50.7 1.0 ND2 H:ASN158 3.6 17.5 1.0 CB H:LEU162 4.0 22.2 1.0 CB H:ALA161 4.0 19.4 1.0 C H:ALA161 4.2 21.7 1.0 N H:LEU162 4.2 27.0 1.0 O H:ALA161 4.3 27.1 1.0 CB H:ASN158 4.3 19.4 1.0 CA H:LEU162 4.3 23.4 1.0 CG H:ASN158 4.5 22.8 1.0 CA H:ALA161 4.7 26.0 1.0 CD1 H:LEU162 4.8 17.0 1.0 CG H:LEU162 4.9 24.0 1.0

Chlorine binding site 3 out of 29 in the Ospa-Fab 319-44 Complex Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ospa-Fab 319-44 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl303 b:41.4 occ:1.00 O H:HOH549 2.3 38.2 1.0 O H:HOH428 2.7 26.0 1.0 OH H:TYR80 2.7 29.5 1.0 CE2 H:TYR80 3.6 27.9 1.0 CZ H:TYR80 3.6 28.5 1.0 CD1 H:ILE76 3.8 24.6 1.0 CG2 H:THR78 4.0 19.4 1.0 OG1 H:THR78 4.4 20.1 1.0 O H:HOH417 4.4 34.3 1.0 CB H:THR78 4.5 18.5 1.0 O H:HOH508 4.6 33.4 1.0 CB H:SER21 4.7 17.9 1.0 CD2 H:TYR80 4.9 24.7 1.0 OG H:SER21 4.9 23.6 1.0 CE1 H:TYR80 4.9 29.6 1.0

Chlorine binding site 4 out of 29 in the Ospa-Fab 319-44 Complex Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ospa-Fab 319-44 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl304 b:26.1 occ:1.00 O H:TYR60 3.3 22.9 1.0 CB L:SER95 3.7 37.9 1.0 O L:HOH457 3.7 20.6 1.0 CA L:PRO96 3.8 22.0 1.0 CB L:PRO96 3.8 30.9 1.0 O L:HOH489 3.8 23.2 1.0 CZ3 H:TRP47 3.9 25.0 1.0 CH2 H:TRP47 4.0 21.9 1.0 CD H:PRO62 4.0 30.3 1.0 N L:PRO96 4.1 30.3 1.0 OG L:SER95 4.3 39.1 1.0 C H:TYR60 4.3 25.4 1.0 C L:SER95 4.4 28.8 1.0 CA L:SER95 4.5 36.9 1.0 CD L:PRO96 4.6 32.5 1.0 CA H:SER61 4.6 27.2 1.0 CG H:PRO62 4.6 36.6 1.0 CG L:PRO96 4.8 31.9 1.0 N H:SER61 4.8 25.5 1.0 N H:PRO62 4.9 28.4 1.0

Chlorine binding site 5 out of 29 in the Ospa-Fab 319-44 Complex Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Ospa-Fab 319-44 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl305 b:26.4 occ:1.00 O E:HOH479 3.3 59.6 1.0 CG1 H:ILE28 3.3 52.9 1.0 N H:ILE28 3.4 39.7 1.0 CB H:ILE28 3.8 40.0 1.0 CA E:GLY257 4.2 32.6 1.0 CA H:ILE28 4.2 35.0 1.0 CB H:TYR27 4.2 26.2 1.0 CE2 H:TYR32 4.3 24.0 1.0 CA H:TYR27 4.3 35.7 1.0 C H:TYR27 4.4 39.0 1.0 OG E:SER258 4.4 54.0 1.0 N E:SER258 4.4 36.5 1.0 OH H:TYR32 4.4 26.7 1.0 C E:GLY257 4.5 39.2 1.0 CD1 H:ILE28 4.5 57.0 1.0 CZ H:TYR32 4.9 24.6 1.0 CB E:SER258 5.0 43.8 1.0 O H:ILE28 5.0 23.2 1.0

Chlorine binding site 6 out of 29 in the Ospa-Fab 319-44 Complex Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Ospa-Fab 319-44 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl306 b:21.0 occ:1.00 CE H:LYS74 3.8 42.4 1.0 CB H:SER75 3.9 31.6 1.0 O H:HOH545 3.9 49.4 1.0 CA H:SER75 4.0 29.1 1.0 N H:SER75 4.1 26.4 1.0 CG H:LYS74 4.1 37.4 1.0 CD H:LYS74 4.3 38.5 1.0 NZ H:LYS74 4.5 46.6 1.0 C H:LYS74 4.7 25.3 1.0 CB H:LYS74 4.8 35.6 1.0

Chlorine binding site 7 out of 29 in the Ospa-Fab 319-44 Complex Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Ospa-Fab 319-44 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl301 b:42.8 occ:1.00 O H:HOH515 3.1 53.8 1.0 N L:ILE118 3.6 19.2 1.0 O H:HOH568 3.8 52.3 1.0 OG H:SER130 3.9 62.6 1.0 O L:ILE118 3.9 21.5 1.0 CA L:PHE117 4.0 18.4 1.0 CG2 L:ILE118 4.1 18.0 1.0 C L:PHE117 4.3 21.7 1.0 CD L:LYS208 4.4 37.2 1.0 CB L:PHE117 4.5 16.2 1.0 CA L:ILE118 4.6 19.6 1.0 CD2 L:PHE117 4.6 26.7 1.0 O L:VAL116 4.6 25.8 1.0 C L:ILE118 4.7 15.5 1.0 CB H:SER130 4.8 58.2 1.0 CB L:ILE118 4.8 21.6 1.0 CG L:PHE117 5.0 27.5 1.0

Chlorine binding site 8 out of 29 in the Ospa-Fab 319-44 Complex Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Ospa-Fab 319-44 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl302 b:47.9 occ:1.00 O L:HOH502 3.2 38.3 1.0 CA L:ALA85 3.4 25.4 1.0 CD L:PRO41 3.5 31.4 1.0 O L:HOH434 3.6 35.0 1.0 CG L:PRO41 3.8 37.1 1.0 C L:ALA85 3.9 26.5 1.0 N L:VAL86 4.1 22.2 1.0 CG2 L:VAL86 4.1 20.8 1.0 O L:PHE84 4.2 29.7 1.0 OE1 L:GLU166 4.3 51.7 1.0 N L:ALA85 4.3 22.6 1.0 CB L:ALA85 4.3 26.3 1.0 O L:HOH541 4.4 36.1 1.0 C L:PHE84 4.6 27.8 1.0 O L:ALA85 4.6 23.4 1.0 CD L:LYS104 4.7 40.2 1.0 N L:PRO41 4.7 33.8 1.0 O L:GLN39 4.8 26.7 1.0 CG L:LYS104 4.8 34.7 1.0 O L:HOH467 4.9 49.0 1.0 CA L:LYS40 5.0 31.3 1.0 O L:HOH497 5.0 47.1 1.0

Chlorine binding site 9 out of 29 in the Ospa-Fab 319-44 Complex Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Ospa-Fab 319-44 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl303 b:21.1 occ:1.00 ND2 L:ASN138 3.5 29.5 1.0 O L:HOH528 3.5 45.3 1.0 OG L:SER115 3.6 35.6 1.0 CB L:SER115 3.8 21.1 1.0 CB L:ASN138 4.2 22.6 1.0 ND2 L:ASN139 4.2 31.4 1.0 CG2 H:THR186 4.3 35.1 1.0 CG2 H:THR138 4.4 28.9 1.0 CG L:ASN138 4.4 33.4 1.0 CE1 L:PHE117 4.5 23.7 1.0 CZ L:PHE117 4.6 25.6 1.0 O L:ASN138 4.7 19.4 1.0 OG1 H:THR186 4.8 35.0 1.0 CB H:THR186 4.9 29.0 1.0 CG L:ASN139 4.9 27.2 1.0

Chlorine binding site 10 out of 29 in the Ospa-Fab 319-44 Complex Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Ospa-Fab 319-44 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:33.1 occ:1.00 O A:HOH502 3.6 42.2 1.0 CD A:LYS19 3.8 26.9 1.0 CE A:LYS19 4.0 29.0 1.0 NZ A:LYS19 4.2 28.2 1.0 CE2 A:TYR80 4.4 32.4 1.0 CG A:LYS19 4.5 24.4 1.0 CD2 A:TYR80 4.9 19.9 1.0 CZ A:TYR80 4.9 36.9 1.0 CB A:LYS19 5.0 20.4 1.0

M.J.Rudolph, M.J.Rudolph. N/A N/A.