Chlorine in PDB 6hj3: Xray Structure of Glic in Complex with Fumarate

The structure of Xray Structure of Glic in Complex with Fumarate, PDB code: 6hj3 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)	20.00 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.510, 132.650, 159.860, 90.00, 102.08, 90.00
R / Rfree (%)	19.7 / 21.6

The structure of Xray Structure of Glic in Complex with Fumarate 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 Fumarate (pdb code 6hj3). 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 Fumarate, PDB code: 6hj3:
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 Fumarate


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 Fumarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:75.4 occ:1.00 N A:PHE78 3.3 80.2 1.0 N A:ARG85 3.5 89.5 1.0 NH1 A:ARG85 3.6 81.7 1.0 CA A:ALA84 3.7 89.1 1.0 CD2 A:PHE78 3.9 93.4 1.0 CA A:ARG77 3.9 78.1 1.0 CB A:PHE78 4.0 82.8 1.0 CB A:ALA84 4.1 90.3 1.0 CG2 A:VAL81 4.1 80.5 1.0 CG A:ARG85 4.1 84.9 1.0 C A:ARG77 4.1 82.4 1.0 CB A:ARG77 4.1 78.3 1.0 C A:ALA84 4.2 94.7 1.0 CA A:PHE78 4.2 80.2 1.0 O A:PHE78 4.3 78.8 1.0 CB A:ARG85 4.3 85.5 1.0 CG A:ARG77 4.4 87.3 1.0 CG A:PHE78 4.4 87.8 1.0 CA A:ARG85 4.5 88.3 1.0 CD A:ARG85 4.6 82.6 1.0 C A:PHE78 4.7 79.6 1.0 CZ A:ARG85 4.8 98.4 1.0 N A:ALA84 4.9 89.0 1.0 CE2 A:PHE78 4.9 98.6 1.0 O A:ASN83 5.0 93.3 1.0

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


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 Fumarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:0.6 occ:1.00 OD1 A:ASN139 3.4 0.7 1.0 N A:LEU180 3.6 91.2 1.0 ND2 A:ASN139 3.8 0.5 1.0 CA A:ARG179 3.9 90.3 1.0 O A:ASP178 4.0 0.8 1.0 CG A:ASN139 4.0 0.1 1.0 CB A:LEU180 4.1 91.8 1.0 C A:ARG179 4.3 93.8 1.0 CD A:ARG179 4.3 0.0 1.0 CA A:LEU180 4.5 90.3 1.0 CB A:ARG179 4.7 86.5 1.0 CB A:SER134 4.7 93.9 1.0 C A:ASP178 4.8 100.0 1.0 N A:ARG179 4.8 92.3 1.0 CG A:ARG179 4.9 96.6 1.0

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


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 Fumarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:0.0 occ:1.00 N A:ALA175 3.5 82.0 1.0 CB A:ALA175 3.9 84.0 1.0 CA A:PHE174 4.2 84.3 1.0 CA A:ALA175 4.3 82.3 1.0 C A:PHE174 4.4 86.2 1.0 CB A:PHE174 4.6 84.7 1.0 O A:ALA175 4.9 89.5 1.0

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


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 Fumarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl410 b:82.8 occ:1.00 O A:PRO74 3.4 84.3 1.0 NH2 A:ARG85 3.4 83.1 1.0 N A:ILE76 3.9 79.0 1.0 O A:ILE76 4.2 80.4 1.0 CG2 A:ILE73 4.3 97.2 1.0 CB A:ILE76 4.4 82.8 1.0 OH A:TYR102 4.4 0.4 1.0 C A:PRO74 4.5 86.0 1.0 CA A:GLU75 4.5 79.2 1.0 CA A:ILE76 4.6 78.7 1.0 OE1 A:GLU104 4.6 91.8 1.0 CZ A:ARG85 4.7 98.4 1.0 C A:GLU75 4.8 82.5 1.0 CG1 A:ILE76 4.8 85.4 1.0 CZ A:TYR102 4.9 99.2 1.0 C A:ILE76 4.9 81.6 1.0 CD1 A:LEU45 4.9 84.7 1.0 N A:GLU75 5.0 81.3 1.0

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


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 Fumarate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:74.7 occ:1.00 N B:PHE78 3.3 77.1 1.0 NH1 B:ARG85 3.5 76.5 1.0 N B:ARG85 3.5 88.6 1.0 CD2 B:PHE78 3.6 88.7 1.0 CB B:PHE78 3.8 79.4 1.0 CA B:ALA84 3.9 90.2 1.0 CG B:ARG85 3.9 84.8 1.0 CA B:ARG77 3.9 75.4 1.0 C B:ARG77 4.1 79.6 1.0 CB B:ARG85 4.1 84.1 1.0 CA B:PHE78 4.1 77.3 1.0 CG2 B:VAL81 4.1 77.4 1.0 CG B:PHE78 4.2 83.5 1.0 C B:ALA84 4.2 94.9 1.0 CB B:ARG77 4.3 69.2 1.0 CB B:ALA84 4.3 92.4 1.0 CD B:ARG85 4.3 81.9 1.0 O B:PHE78 4.3 81.0 1.0 CA B:ARG85 4.4 86.5 1.0 CZ B:ARG85 4.6 89.0 1.0 CE2 B:PHE78 4.6 93.0 1.0 CG B:ARG77 4.6 80.0 1.0 C B:PHE78 4.7 81.5 1.0 NE B:ARG85 4.9 85.3 1.0

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


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 Fumarate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl408 b:84.7 occ:1.00 NH2 B:ARG85 3.3 71.3 1.0 O B:PRO74 3.5 86.7 1.0 N B:ILE76 3.9 80.8 1.0 O B:ILE76 4.0 85.3 1.0 CB B:ILE76 4.3 83.0 1.0 CG2 B:ILE73 4.5 88.4 1.0 CZ B:ARG85 4.5 89.0 1.0 OH B:TYR102 4.5 97.2 1.0 CA B:ILE76 4.5 80.2 1.0 C B:PRO74 4.6 87.8 1.0 CA B:GLU75 4.6 82.5 1.0 OE1 B:GLU104 4.6 78.6 1.0 C B:ILE76 4.7 84.1 1.0 C B:GLU75 4.8 83.0 1.0 CG1 B:ILE76 4.8 86.0 1.0 CD1 B:LEU45 5.0 84.0 1.0 CZ B:TYR102 5.0 94.6 1.0

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


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 Fumarate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl404 b:82.8 occ:1.00 N C:PHE78 3.3 81.4 1.0 NH1 C:ARG85 3.5 75.2 1.0 N C:ARG85 3.5 86.8 1.0 CD2 C:PHE78 3.6 91.5 1.0 CG C:ARG85 3.9 82.0 1.0 CB C:PHE78 3.9 82.6 1.0 CA C:ALA84 3.9 87.8 1.0 CA C:ARG77 3.9 80.9 1.0 CB C:ARG85 4.0 82.0 1.0 C C:ARG77 4.1 85.4 1.0 CG2 C:VAL81 4.1 84.9 1.0 CA C:PHE78 4.2 81.0 1.0 CG C:PHE78 4.2 86.5 1.0 C C:ALA84 4.2 91.0 1.0 CB C:ARG77 4.3 77.5 1.0 CD C:ARG85 4.3 81.9 1.0 CB C:ALA84 4.3 89.6 1.0 O C:PHE78 4.4 82.6 1.0 CA C:ARG85 4.4 85.5 1.0 CG C:ARG77 4.5 86.6 1.0 CZ C:ARG85 4.6 90.2 1.0 CE2 C:PHE78 4.6 95.5 1.0 C C:PHE78 4.8 82.7 1.0 NE C:ARG85 4.9 81.0 1.0

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


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 Fumarate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl408 b:83.3 occ:1.00 NH2 C:ARG85 3.4 71.3 1.0 O C:PRO74 3.5 95.4 1.0 N C:ILE76 4.1 85.8 1.0 OH C:TYR102 4.3 0.3 1.0 CG2 C:ILE73 4.3 0.2 1.0 O C:ILE76 4.3 89.5 1.0 OE1 C:GLU104 4.5 82.3 1.0 CB C:ILE76 4.5 88.9 1.0 C C:PRO74 4.6 95.1 1.0 CA C:GLU75 4.7 85.3 1.0 CZ C:ARG85 4.7 90.2 1.0 CZ C:TYR102 4.8 98.6 1.0 CA C:ILE76 4.8 85.2 1.0 C C:GLU75 4.9 88.2 1.0 CD1 C:LEU45 4.9 84.1 1.0 CG1 C:ILE76 5.0 91.5 1.0

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


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 Fumarate within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl404 b:81.7 occ:1.00 N D:PHE78 3.3 76.8 1.0 N D:ARG85 3.4 86.8 1.0 NH1 D:ARG85 3.6 79.1 1.0 CD2 D:PHE78 3.7 86.8 1.0 CA D:ALA84 3.8 90.9 1.0 CG D:ARG85 3.9 82.1 1.0 CB D:PHE78 3.9 78.2 1.0 CA D:ARG77 4.0 78.1 1.0 CB D:ARG85 4.1 83.0 1.0 CG2 D:VAL81 4.1 79.2 1.0 C D:ALA84 4.1 93.5 1.0 C D:ARG77 4.1 80.5 1.0 CB D:ALA84 4.2 93.0 1.0 CA D:PHE78 4.2 76.1 1.0 CB D:ARG77 4.3 77.1 1.0 CG D:PHE78 4.3 82.0 1.0 O D:PHE78 4.3 78.1 1.0 CA D:ARG85 4.4 85.3 1.0 CD D:ARG85 4.4 81.7 1.0 CG D:ARG77 4.6 82.9 1.0 CZ D:ARG85 4.7 93.5 1.0 CE2 D:PHE78 4.8 90.3 1.0 C D:PHE78 4.8 77.2 1.0 O D:ASN83 5.0 92.3 1.0 N D:ALA84 5.0 91.3 1.0 NE D:ARG85 5.0 88.5 1.0

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


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 Fumarate within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl408 b:84.7 occ:1.00 NH2 D:ARG85 3.4 68.9 1.0 O D:PRO74 3.4 89.0 1.0 N D:ILE76 4.0 81.6 1.0 O D:ILE76 4.2 88.1 1.0 CG2 D:ILE73 4.3 97.3 1.0 OH D:TYR102 4.3 0.2 1.0 CB D:ILE76 4.4 83.7 1.0 C D:PRO74 4.6 89.8 1.0 OE1 D:GLU104 4.6 85.2 1.0 CA D:GLU75 4.6 83.9 1.0 CZ D:ARG85 4.6 93.5 1.0 CA D:ILE76 4.7 80.5 1.0 CZ D:TYR102 4.8 99.2 1.0 C D:GLU75 4.9 86.0 1.0 CG1 D:ILE76 4.9 86.5 1.0 CD1 D:LEU45 4.9 86.5 1.0 C D:ILE76 4.9 86.0 1.0

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