Chlorine in PDB 6hjb: Xray Structure of Glic in Complex with Malonate

The structure of Xray Structure of Glic in Complex with Malonate, PDB code: 6hjb was solved by Z.Fourati, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.00 / 3.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	180.099, 133.366, 158.987, 90.00, 101.35, 90.00
R / Rfree (%)	18.2 / 19.9

The structure of Xray Structure of Glic in Complex with Malonate also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Xray Structure of Glic in Complex with Malonate (pdb code 6hjb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Xray Structure of Glic in Complex with Malonate, PDB code: 6hjb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in the Xray Structure of Glic in Complex with Malonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Xray Structure of Glic in Complex with Malonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:92.5 occ:1.00 N A:LEU180 3.1 62.9 1.0 OD1 A:ASN139 3.1 82.1 1.0 CB A:LEU180 3.7 60.9 1.0 CA A:ARG179 3.7 64.7 1.0 C A:ARG179 3.9 65.9 1.0 CA A:LEU180 3.9 61.3 1.0 CB A:SER134 4.1 73.7 1.0 CG A:ASN139 4.2 89.6 1.0 CD A:ARG179 4.3 98.7 1.0 O A:ASP178 4.4 80.2 1.0 CB A:ARG179 4.4 63.1 1.0 OG A:SER134 4.6 79.9 1.0 CG A:ARG179 4.7 79.8 1.0 N A:ARG179 4.8 67.4 1.0 ND2 A:ASN139 4.9 86.0 1.0 C A:ASP178 5.0 76.7 1.0

Chlorine binding site 2 out of 11 in the Xray Structure of Glic in Complex with Malonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Xray Structure of Glic in Complex with Malonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:81.4 occ:1.00 O A:PRO74 3.3 74.3 1.0 NH2 A:ARG85 3.7 62.9 1.0 N A:ILE76 3.9 67.2 1.0 CG2 A:ILE73 4.1 78.2 1.0 OH A:TYR102 4.2 78.4 1.0 O A:ILE76 4.2 68.2 1.0 C A:PRO74 4.4 73.7 1.0 CA A:GLU75 4.4 64.9 1.0 OE1 A:GLU104 4.6 77.7 1.0 CZ A:TYR102 4.6 77.7 1.0 C A:GLU75 4.7 71.2 1.0 CD1 A:LEU45 4.7 71.5 1.0 CB A:ILE76 4.7 67.9 1.0 CA A:ILE76 4.7 65.3 1.0 N A:GLU75 4.8 67.4 1.0 CZ A:ARG85 4.9 75.5 1.0 C A:ILE76 5.0 68.7 1.0

Chlorine binding site 3 out of 11 in the Xray Structure of Glic in Complex with Malonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Xray Structure of Glic in Complex with Malonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:67.2 occ:1.00 O A:HOH532 3.3 72.0 1.0 NH1 A:ARG85 3.4 57.5 1.0 N A:ARG85 3.4 64.8 1.0 N A:PHE78 3.5 67.6 1.0 CG A:ARG85 3.7 56.7 1.0 CD2 A:PHE78 3.8 78.1 1.0 CA A:ALA84 3.8 67.2 1.0 CB A:PHE78 3.9 70.2 1.0 CA A:ARG77 4.0 63.7 1.0 CB A:ARG85 4.0 59.2 1.0 C A:ALA84 4.1 71.6 1.0 CG2 A:VAL81 4.2 60.0 1.0 CB A:ALA84 4.2 68.8 1.0 C A:ARG77 4.2 70.2 1.0 CA A:PHE78 4.3 67.4 1.0 CD A:ARG85 4.3 59.9 1.0 CA A:ARG85 4.3 64.0 1.0 CG A:PHE78 4.3 73.8 1.0 CB A:ARG77 4.4 59.1 1.0 CZ A:ARG85 4.5 75.5 1.0 O A:PHE78 4.5 69.0 1.0 CG A:ARG77 4.7 60.0 1.0 NE A:ARG85 4.8 65.7 1.0 CE2 A:PHE78 4.8 82.2 1.0 C A:PHE78 4.9 68.2 1.0 O A:ILE76 4.9 68.2 1.0

Chlorine binding site 4 out of 11 in the Xray Structure of Glic in Complex with Malonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Xray Structure of Glic in Complex with Malonate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:75.9 occ:1.00 NH2 B:ARG85 3.3 54.2 1.0 O B:PRO74 3.4 66.7 1.0 N B:ILE76 4.0 59.9 1.0 O B:ILE76 4.1 64.6 1.0 OH B:TYR102 4.3 71.4 1.0 CG2 B:ILE73 4.3 64.3 1.0 CD1 B:LEU45 4.4 62.1 1.0 C B:PRO74 4.5 66.4 1.0 CZ B:ARG85 4.6 68.0 1.0 OE1 B:GLU104 4.6 42.2 1.0 CB B:ILE76 4.6 60.9 1.0 CZ B:TYR102 4.6 67.2 1.0 CA B:GLU75 4.7 61.3 1.0 CA B:ILE76 4.7 58.3 1.0 C B:GLU75 4.9 63.3 1.0 C B:ILE76 4.9 63.6 1.0 CG1 B:ILE76 5.0 62.9 1.0 CE1 B:TYR102 5.0 57.5 1.0

Chlorine binding site 5 out of 11 in the Xray Structure of Glic in Complex with Malonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Xray Structure of Glic in Complex with Malonate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:74.1 occ:1.00 N B:PHE78 3.3 58.9 1.0 N B:ARG85 3.5 74.2 1.0 CD2 B:PHE78 3.6 65.7 1.0 CG B:ARG85 3.6 62.8 1.0 CB B:PHE78 3.7 60.4 1.0 NH1 B:ARG85 3.7 48.9 1.0 CA B:ALA84 3.9 75.5 1.0 CG2 B:VAL81 4.0 68.6 1.0 CA B:PHE78 4.0 58.9 1.0 CA B:ARG77 4.0 57.3 1.0 CG B:PHE78 4.1 62.9 1.0 C B:ARG77 4.1 62.1 1.0 CB B:ARG85 4.2 65.0 1.0 O B:PHE78 4.2 67.2 1.0 C B:ALA84 4.2 81.2 1.0 CB B:ALA84 4.3 77.0 1.0 CD B:ARG85 4.4 61.2 1.0 CB B:ARG77 4.5 56.4 1.0 CA B:ARG85 4.5 72.1 1.0 C B:PHE78 4.6 66.1 1.0 CE2 B:PHE78 4.7 68.5 1.0 CZ B:ARG85 4.7 68.0 1.0 CG B:ARG77 4.9 65.5 1.0 NE B:ARG85 4.9 57.0 1.0 N B:ALA84 5.0 76.0 1.0

Chlorine binding site 6 out of 11 in the Xray Structure of Glic in Complex with Malonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Xray Structure of Glic in Complex with Malonate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl405 b:82.6 occ:1.00 O C:PRO74 3.5 81.7 1.0 NH2 C:ARG85 3.8 64.6 1.0 N C:ILE76 4.0 71.1 1.0 OH C:TYR102 4.1 72.5 1.0 CG2 C:ILE73 4.1 71.4 1.0 O C:ILE76 4.4 73.5 1.0 CA C:GLU75 4.5 70.5 1.0 C C:PRO74 4.5 79.3 1.0 OE1 C:GLU104 4.5 60.4 1.0 CZ C:TYR102 4.6 71.3 1.0 CD1 C:LEU45 4.7 66.6 1.0 C C:GLU75 4.8 74.0 1.0 N C:GLU75 4.9 73.6 1.0 CA C:ILE76 4.9 70.7 1.0 CB C:ILE76 4.9 73.9 1.0 CZ C:ARG85 5.0 77.9 1.0

Chlorine binding site 7 out of 11 in the Xray Structure of Glic in Complex with Malonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Xray Structure of Glic in Complex with Malonate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl406 b:74.7 occ:1.00 N C:PHE78 3.3 64.3 1.0 NH1 C:ARG85 3.4 59.0 1.0 N C:ARG85 3.5 72.2 1.0 O B:HOH513 3.5 74.7 1.0 CD2 C:PHE78 3.6 72.6 1.0 CG C:ARG85 3.7 65.3 1.0 CB C:PHE78 3.7 64.8 1.0 CA C:ARG77 4.0 64.3 1.0 CB C:ARG85 4.0 68.3 1.0 CA C:ALA84 4.0 74.4 1.0 CG2 C:VAL81 4.0 69.1 1.0 CA C:PHE78 4.1 63.4 1.0 C C:ARG77 4.1 67.6 1.0 CG C:PHE78 4.1 68.2 1.0 C C:ALA84 4.2 77.2 1.0 O C:PHE78 4.3 71.1 1.0 CD C:ARG85 4.3 69.8 1.0 CA C:ARG85 4.3 71.1 1.0 CB C:ARG77 4.4 59.7 1.0 CB C:ALA84 4.5 76.1 1.0 CZ C:ARG85 4.5 77.9 1.0 C C:PHE78 4.7 68.5 1.0 CG C:ARG77 4.7 66.3 1.0 CE2 C:PHE78 4.7 75.5 1.0 NE C:ARG85 4.8 68.2 1.0

Chlorine binding site 8 out of 11 in the Xray Structure of Glic in Complex with Malonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Xray Structure of Glic in Complex with Malonate within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl405 b:84.9 occ:1.00 NH2 D:ARG85 3.4 74.7 1.0 O D:PRO74 3.5 75.2 1.0 N D:ILE76 3.9 64.7 1.0 O D:ILE76 4.1 67.2 1.0 OH D:TYR102 4.2 85.0 1.0 CG2 D:ILE73 4.4 78.8 1.0 OE1 D:GLU104 4.4 71.4 1.0 CA D:GLU75 4.5 69.8 1.0 C D:PRO74 4.6 75.1 1.0 CZ D:ARG85 4.7 82.9 1.0 CD1 D:LEU45 4.7 71.9 1.0 CB D:ILE76 4.7 66.4 1.0 CA D:ILE76 4.7 63.3 1.0 CZ D:TYR102 4.7 84.1 1.0 C D:GLU75 4.7 70.7 1.0 C D:ILE76 4.8 67.1 1.0

Chlorine binding site 9 out of 11 in the Xray Structure of Glic in Complex with Malonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Xray Structure of Glic in Complex with Malonate within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl406 b:73.4 occ:1.00 N D:PHE78 3.3 59.9 1.0 NH1 D:ARG85 3.3 58.2 1.0 N D:ARG85 3.5 75.7 1.0 CG D:ARG85 3.6 73.6 1.0 CD2 D:PHE78 3.7 68.0 1.0 CB D:PHE78 3.8 61.2 1.0 CA D:ARG77 4.0 60.0 1.0 CB D:ARG85 4.0 70.9 1.0 CA D:ALA84 4.1 77.9 1.0 C D:ARG77 4.1 64.5 1.0 CG2 D:VAL81 4.1 65.5 1.0 CA D:PHE78 4.1 59.3 1.0 CG D:PHE78 4.1 63.9 1.0 CD D:ARG85 4.2 76.8 1.0 C D:ALA84 4.3 81.3 1.0 CA D:ARG85 4.3 74.8 1.0 O D:PHE78 4.4 66.6 1.0 CB D:ARG77 4.4 58.4 1.0 CZ D:ARG85 4.5 82.9 1.0 CB D:ALA84 4.5 80.0 1.0 CE2 D:PHE78 4.7 70.9 1.0 CG D:ARG77 4.7 58.0 1.0 C D:PHE78 4.8 64.9 1.0 NE D:ARG85 4.8 76.6 1.0 O D:ILE76 4.9 67.2 1.0

Chlorine binding site 10 out of 11 in the Xray Structure of Glic in Complex with Malonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Xray Structure of Glic in Complex with Malonate within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl406 b:80.1 occ:1.00 O E:PRO74 3.4 82.9 1.0 NH2 E:ARG85 3.6 67.7 1.0 N E:ILE76 4.0 74.4 1.0 O E:ILE76 4.2 73.4 1.0 OH E:TYR102 4.2 78.8 1.0 CG2 E:ILE73 4.3 70.2 1.0 C E:PRO74 4.5 82.0 1.0 CA E:GLU75 4.5 76.3 1.0 OE1 E:GLU104 4.6 67.5 1.0 CD1 E:LEU45 4.7 68.3 1.0 CZ E:TYR102 4.7 71.7 1.0 C E:GLU75 4.8 78.0 1.0 CB E:ILE76 4.8 76.0 1.0 CA E:ILE76 4.8 72.9 1.0 CZ E:ARG85 4.8 78.8 1.0 N E:GLU75 4.9 78.0 1.0 C E:ILE76 5.0 73.6 1.0

Z.Fourati, M.Delarue. Xray Structure of Glic in Complex with Malonate To Be Published.