Chlorine in PDB 7wlf: Crystal Structure of the Hsa Fe Complex

The structure of Crystal Structure of the Hsa Fe Complex, PDB code: 7wlf was solved by H.H.Bai, L.L.Xie, W.M.Wang, H.F.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.99 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	179.502, 38.165, 95.777, 90, 105.08, 90
R / Rfree (%)	20.9 / 28.2

The structure of Crystal Structure of the Hsa Fe Complex also contains other interesting chemical elements:

Iron

(Fe)

5 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Hsa Fe Complex (pdb code 7wlf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the Crystal Structure of the Hsa Fe Complex, PDB code: 7wlf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in the Crystal Structure of the Hsa Fe Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Hsa Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl619 b:102.4 occ:1.00 CB A:GLN459 3.5 78.7 1.0 ND2 A:ASN429 3.8 79.8 1.0 O A:VAL456 3.8 72.3 1.0 CG2 A:VAL426 3.9 68.1 1.0 N A:LEU460 4.1 71.6 1.0 C A:GLN459 4.2 72.2 1.0 CA A:VAL456 4.4 69.9 1.0 CG1 A:VAL456 4.4 67.0 1.0 CA A:GLN459 4.5 74.8 1.0 C A:VAL456 4.6 71.2 1.0 CA A:LEU460 4.6 65.2 1.0 O A:GLN459 4.7 77.3 1.0 CB A:LEU460 4.9 68.9 1.0 CB A:VAL456 4.9 65.3 1.0 CB A:VAL426 5.0 67.1 1.0

Chlorine binding site 2 out of 16 in the Crystal Structure of the Hsa Fe Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Hsa Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl620 b:95.9 occ:1.00 O2 A:GOL601 2.9 92.8 1.0 CG A:ARG197 3.1 88.6 1.0 C2 A:GOL601 4.0 89.3 1.0 O A:HOH775 4.0 77.1 1.0 NE A:ARG197 4.1 85.2 1.0 CB A:ARG197 4.1 82.9 1.0 CD A:ARG197 4.2 89.2 1.0 OG A:SER193 4.3 78.8 1.0 O3 A:GOL601 4.3 88.6 1.0 O A:SER193 4.3 75.2 1.0 CZ A:ARG197 4.6 89.0 1.0 C A:SER193 4.8 79.3 1.0 C3 A:GOL601 4.9 87.8 1.0 CB A:SER193 5.0 76.6 1.0 CA A:ALA194 5.0 80.5 1.0

Chlorine binding site 3 out of 16 in the Crystal Structure of the Hsa Fe Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Hsa Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl621 b:112.0 occ:1.00 FE A:FE605 2.3 80.0 0.5 NE2 A:HIS367 2.8 90.1 1.0 CE1 A:HIS367 3.5 88.7 1.0 CD2 A:HIS367 3.8 83.3 1.0 CB A:ALA371 3.9 76.8 1.0 O A:HOH789 4.1 91.4 1.0 CG1 A:VAL310 4.3 73.5 1.0 CL A:CL622 4.4 95.0 1.0 CG A:GLU311 4.4 78.8 1.0 ND1 A:HIS367 4.6 83.2 1.0 CG A:HIS367 4.8 77.0 1.0 CA A:ALA371 4.9 75.7 1.0

Chlorine binding site 4 out of 16 in the Crystal Structure of the Hsa Fe Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Hsa Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl622 b:95.0 occ:1.00 FE A:FE605 2.2 80.0 0.5 O A:HOH789 2.3 91.4 1.0 CE1 A:HIS367 3.2 88.7 1.0 NE2 A:HIS367 3.8 90.1 1.0 ND1 A:HIS367 4.3 83.2 1.0 CL A:CL621 4.4 112.0 1.0

Chlorine binding site 5 out of 16 in the Crystal Structure of the Hsa Fe Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Hsa Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl623 b:119.8 occ:1.00 FE A:FE604 2.5 98.8 0.7 NE2 A:HIS128 3.4 99.2 1.0 CE1 A:HIS128 3.5 90.6 1.0 O A:HOH785 3.8 85.5 1.0 CL A:CL624 4.6 106.0 1.0 CD2 A:HIS128 4.6 99.6 1.0 ND1 A:HIS128 4.7 91.4 1.0

Chlorine binding site 6 out of 16 in the Crystal Structure of the Hsa Fe Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Hsa Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl624 b:106.0 occ:1.00 FE A:FE604 2.4 98.8 0.7 O A:HOH785 3.5 85.5 1.0 NE2 A:HIS128 3.8 99.2 1.0 CD2 A:HIS128 4.2 99.6 1.0 CL A:CL623 4.6 119.8 1.0 CE1 A:HIS128 5.0 90.6 1.0

Chlorine binding site 7 out of 16 in the Crystal Structure of the Hsa Fe Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Hsa Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl625 b:107.7 occ:1.00 CD A:ARG186 3.3 96.4 1.0 OD1 A:ASP187 3.4 80.5 1.0 OD1 A:ASP183 3.5 90.9 1.0 CA A:ASP183 4.0 84.0 1.0 CG A:ASP183 4.1 89.6 1.0 O A:ASP183 4.1 82.3 1.0 CB A:ASP183 4.2 86.3 1.0 NE A:ARG186 4.2 99.2 1.0 CB A:ARG186 4.2 89.4 1.0 CG A:ASP187 4.3 75.8 1.0 CG A:ARG186 4.4 91.3 1.0 C A:ASP183 4.6 80.2 1.0 NH2 A:ARG117 4.6 90.3 1.0 OD2 A:ASP187 4.7 62.4 1.0 NH1 A:ARG186 4.8 103.3 1.0 CZ A:ARG186 4.9 104.4 1.0 N A:ASP187 4.9 76.8 1.0

Chlorine binding site 8 out of 16 in the Crystal Structure of the Hsa Fe Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Hsa Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl626 b:86.4 occ:1.00 NE2 A:HIS338 3.0 69.4 1.0 CE1 A:HIS338 3.4 75.5 1.0 OH A:TYR334 4.2 72.7 1.0 CD2 A:HIS338 4.2 67.7 1.0 CE1 A:TYR334 4.5 70.7 1.0 CZ A:TYR334 4.6 70.4 1.0 ND1 A:HIS338 4.7 66.5 1.0 OH A:TYR341 4.8 64.8 1.0 CD1 A:LEU305 4.9 78.7 1.0

Chlorine binding site 9 out of 16 in the Crystal Structure of the Hsa Fe Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Hsa Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl627 b:96.3 occ:1.00 CG A:ASP340 3.4 65.7 1.0 OD1 A:ASP340 3.5 70.7 1.0 CB A:ASP340 3.7 59.0 1.0 OD2 A:ASP340 3.7 66.5 1.0 CD A:PRO339 3.8 60.8 1.0 O A:ARG337 4.1 72.5 1.0 N A:ASP340 4.2 64.2 1.0 CG A:PRO339 4.3 65.1 1.0 N A:PRO339 4.6 60.1 1.0 CA A:ASP340 4.6 60.3 1.0 CA A:HIS338 4.6 66.2 1.0 ND1 A:HIS338 4.9 66.5 1.0

Chlorine binding site 10 out of 16 in the Crystal Structure of the Hsa Fe Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Hsa Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl628 b:95.6 occ:1.00 O A:HOH740 2.4 64.0 1.0 CB A:GLU442 3.5 75.4 1.0 OE1 A:GLU442 3.5 77.4 1.0 NH1 A:ARG445 3.9 59.9 1.0 CD A:GLU442 4.1 83.8 1.0 CG A:GLU442 4.3 76.5 1.0 CA A:GLU442 4.3 72.6 1.0 O A:HOH748 4.6 66.4 1.0 N A:GLU442 4.7 70.4 1.0 CZ A:ARG445 4.7 62.7 1.0 CB A:LYS389 4.8 71.1 1.0 CD A:ARG445 4.9 64.9 1.0 O A:HOH732 4.9 79.6 1.0

H.H.Bai, L.L.Xie, W.M.Wang, H.F.Wang. Crystal Structure of the Hsa Fe Complex To Be Published.