Chlorine in PDB 6hji: Xray Structure of Glic in Complex with Crotonate

The structure of Xray Structure of Glic in Complex with Crotonate, PDB code: 6hji 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)	12.00 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	180.943, 133.242, 159.880, 90.00, 101.96, 90.00
R / Rfree (%)	18.9 / 20.4

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

Sodium

(Na)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Xray Structure of Glic in Complex with Crotonate (pdb code 6hji). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Xray Structure of Glic in Complex with Crotonate, PDB code: 6hji:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in the Xray Structure of Glic in Complex with Crotonate


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 Crotonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:85.0 occ:1.00 N A:PHE78 3.4 82.5 1.0 NH1 A:ARG85 3.6 79.9 1.0 N A:ARG85 3.6 97.4 1.0 CD2 A:PHE78 3.7 94.4 1.0 CB A:PHE78 3.9 84.6 1.0 CG A:ARG85 4.0 96.1 1.0 CA A:ALA84 4.0 98.2 1.0 CA A:ARG77 4.0 79.2 1.0 CG2 A:VAL81 4.1 83.3 1.0 C A:ARG77 4.2 85.4 1.0 CA A:PHE78 4.2 81.9 1.0 CB A:ARG85 4.2 93.4 1.0 O A:PHE78 4.3 81.2 1.0 CB A:ARG77 4.3 78.3 1.0 CG A:PHE78 4.3 89.2 1.0 C A:ALA84 4.3 0.6 1.0 CB A:ALA84 4.4 0.1 1.0 CA A:ARG85 4.6 96.4 1.0 CD A:ARG85 4.6 96.3 1.0 CZ A:ARG85 4.7 0.0 1.0 C A:PHE78 4.7 82.1 1.0 CG A:ARG77 4.8 88.6 1.0 CE2 A:PHE78 4.8 98.9 1.0

Chlorine binding site 2 out of 12 in the Xray Structure of Glic in Complex with Crotonate


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 Crotonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:0.7 occ:1.00 OD1 A:ASN139 3.4 0.1 1.0 N A:LEU180 3.4 85.7 1.0 CA A:ARG179 3.9 87.5 1.0 CB A:LEU180 4.0 85.8 1.0 C A:ARG179 4.1 88.9 1.0 CG A:ASN139 4.1 0.1 1.0 ND2 A:ASN139 4.3 0.3 1.0 O A:ASP178 4.3 98.8 1.0 CA A:LEU180 4.3 84.4 1.0 CD A:ARG179 4.5 0.7 1.0 CB A:ARG179 4.6 86.1 1.0 CB A:SER134 4.6 98.5 1.0 CG A:ARG179 4.8 99.8 1.0 N A:ARG179 4.8 89.2 1.0 C A:ASP178 5.0 96.7 1.0

Chlorine binding site 3 out of 12 in the Xray Structure of Glic in Complex with Crotonate


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 Crotonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:0.7 occ:1.00 N A:ALA175 3.4 88.4 1.0 CB A:ALA175 3.7 91.9 1.0 CA A:ALA175 4.1 88.8 1.0 CA A:PHE174 4.2 86.2 1.0 C A:PHE174 4.3 90.2 1.0 CB A:PHE174 4.5 86.0 1.0 O A:ALA175 4.7 92.9 1.0 C A:ALA175 4.9 92.8 1.0

Chlorine binding site 4 out of 12 in the Xray Structure of Glic in Complex with Crotonate


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 Crotonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl411 b:94.2 occ:1.00 NH2 A:ARG85 3.6 94.5 1.0 O A:PRO74 3.7 91.8 1.0 N A:ILE76 4.2 80.9 1.0 OH A:TYR102 4.2 0.5 1.0 CG2 A:ILE73 4.2 98.3 1.0 O A:ILE76 4.4 82.9 1.0 OE1 A:GLU104 4.5 90.0 1.0 CA A:GLU75 4.6 84.7 1.0 C A:PRO74 4.7 92.1 1.0 CZ A:TYR102 4.7 0.5 1.0 CZ A:ARG85 4.9 0.0 1.0 C A:GLU75 4.9 84.7 1.0 CB A:ILE76 5.0 84.1 1.0

Chlorine binding site 5 out of 12 in the Xray Structure of Glic in Complex with Crotonate


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 Crotonate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:94.2 occ:1.00 N B:PHE78 3.2 77.0 1.0 CD2 B:PHE78 3.4 85.5 1.0 NH1 B:ARG85 3.5 77.1 1.0 CB B:PHE78 3.6 77.7 1.0 N B:ARG85 3.7 97.5 1.0 CG2 B:VAL81 3.9 70.9 1.0 CA B:PHE78 3.9 76.2 1.0 CG B:PHE78 4.0 80.8 1.0 CG B:ARG85 4.0 99.4 1.0 CA B:ARG77 4.1 76.0 1.0 O B:PHE78 4.1 79.0 1.0 C B:ARG77 4.1 78.4 1.0 CA B:ALA84 4.2 0.1 1.0 CB B:ARG85 4.2 92.4 1.0 CB B:ARG77 4.4 76.2 1.0 C B:ALA84 4.5 0.3 1.0 C B:PHE78 4.5 78.2 1.0 CD B:ARG85 4.5 0.2 1.0 CE2 B:PHE78 4.5 90.0 1.0 CA B:ARG85 4.6 96.1 1.0 CZ B:ARG85 4.7 0.0 1.0 CB B:ALA84 4.7 0.7 1.0 CG1 B:VAL81 4.9 67.4 1.0 CB B:VAL81 5.0 69.1 1.0

Chlorine binding site 6 out of 12 in the Xray Structure of Glic in Complex with Crotonate


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 Crotonate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl409 b:89.2 occ:1.00 NH2 B:ARG85 3.4 91.9 1.0 O B:PRO74 3.5 86.2 1.0 N B:ILE76 3.9 79.1 1.0 O B:ILE76 4.0 82.1 1.0 CG2 B:ILE73 4.2 81.5 1.0 OH B:TYR102 4.4 90.9 1.0 OE1 B:GLU104 4.5 76.5 1.0 CB B:ILE76 4.5 79.7 1.0 CA B:GLU75 4.5 83.4 1.0 C B:PRO74 4.5 87.3 1.0 CA B:ILE76 4.6 77.4 1.0 CZ B:ARG85 4.7 0.0 1.0 CD1 B:LEU45 4.7 78.5 1.0 C B:GLU75 4.7 83.6 1.0 C B:ILE76 4.8 81.5 1.0 CZ B:TYR102 4.8 85.8 1.0 CG1 B:ILE76 4.9 82.3 1.0

Chlorine binding site 7 out of 12 in the Xray Structure of Glic in Complex with Crotonate


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 Crotonate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl404 b:89.2 occ:1.00 N C:PHE78 3.3 85.1 1.0 CD2 C:PHE78 3.6 93.1 1.0 NH1 C:ARG85 3.6 90.4 1.0 N C:ARG85 3.7 0.3 1.0 CB C:PHE78 3.7 85.7 1.0 CG2 C:VAL81 3.9 82.1 1.0 CG C:ARG85 4.0 0.8 1.0 CA C:PHE78 4.0 84.4 1.0 CA C:ALA84 4.1 0.7 1.0 CA C:ARG77 4.1 85.9 1.0 O C:PHE78 4.1 88.9 1.0 CG C:PHE78 4.2 88.6 1.0 C C:ARG77 4.2 89.6 1.0 CB C:ARG85 4.3 97.6 1.0 CB C:ARG77 4.4 86.1 1.0 C C:ALA84 4.4 0.9 1.0 CB C:ALA84 4.6 0.1 1.0 C C:PHE78 4.6 87.4 1.0 CD C:ARG85 4.6 0.4 1.0 CA C:ARG85 4.6 99.8 1.0 CE2 C:PHE78 4.7 96.8 1.0 CZ C:ARG85 4.7 0.3 1.0 NH1 B:ARG105 4.9 0.5 1.0 CG C:ARG77 4.9 97.7 1.0

Chlorine binding site 8 out of 12 in the Xray Structure of Glic in Complex with Crotonate


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 Crotonate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl407 b:0.8 occ:1.00 O C:PRO74 3.6 96.7 1.0 NH2 C:ARG85 3.6 0.0 1.0 CG2 C:ILE73 4.1 98.6 1.0 OH C:TYR102 4.1 98.5 1.0 N C:ILE76 4.1 87.6 1.0 O C:ILE76 4.4 89.2 1.0 OE1 C:GLU104 4.4 91.4 1.0 CZ C:TYR102 4.6 95.1 1.0 C C:PRO74 4.6 97.5 1.0 CA C:GLU75 4.6 90.8 1.0 CD1 C:LEU45 4.8 85.9 1.0 CB C:ILE76 4.9 90.3 1.0 CZ C:ARG85 4.9 0.3 1.0 C C:GLU75 4.9 91.3 1.0 CA C:ILE76 4.9 87.0 1.0 CE1 C:TYR102 5.0 85.0 1.0

Chlorine binding site 9 out of 12 in the Xray Structure of Glic in Complex with Crotonate


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 Crotonate within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl404 b:88.7 occ:1.00 N D:PHE78 3.4 79.7 1.0 N D:ARG85 3.5 95.9 1.0 NH1 D:ARG85 3.7 86.4 1.0 CD2 D:PHE78 3.8 88.5 1.0 CB D:PHE78 3.9 80.8 1.0 CA D:ALA84 3.9 97.5 1.0 CG2 D:VAL81 4.0 82.9 1.0 CG D:ARG85 4.0 97.8 1.0 CA D:ARG77 4.1 77.6 1.0 CA D:PHE78 4.2 79.0 1.0 O D:PHE78 4.2 82.4 1.0 CB D:ARG85 4.2 92.2 1.0 C D:ARG77 4.2 82.6 1.0 C D:ALA84 4.2 0.6 1.0 CG D:PHE78 4.3 84.0 1.0 CB D:ALA84 4.3 99.8 1.0 CB D:ARG77 4.4 75.8 1.0 CA D:ARG85 4.5 95.0 1.0 CD D:ARG85 4.7 0.1 1.0 C D:PHE78 4.7 82.2 1.0 CZ D:ARG85 4.8 0.1 1.0 CE2 D:PHE78 4.9 92.5 1.0 CG D:ARG77 4.9 86.1 1.0

Chlorine binding site 10 out of 12 in the Xray Structure of Glic in Complex with Crotonate


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 Crotonate within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl409 b:97.9 occ:1.00 O D:PRO74 3.5 94.7 1.0 NH2 D:ARG85 3.6 96.5 1.0 N D:ILE76 3.9 85.1 1.0 O D:ILE76 4.1 86.7 1.0 CG2 D:ILE73 4.3 0.6 1.0 CA D:GLU75 4.4 88.5 1.0 OH D:TYR102 4.4 0.9 1.0 C D:PRO74 4.6 94.9 1.0 OE1 D:GLU104 4.6 91.5 1.0 C D:GLU75 4.7 89.6 1.0 CA D:ILE76 4.8 83.8 1.0 CB D:ILE76 4.8 87.4 1.0 CZ D:ARG85 4.8 0.1 1.0 C D:ILE76 4.9 85.6 1.0 N D:GLU75 4.9 90.2 1.0 CZ D:TYR102 4.9 98.7 1.0

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