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Chlorine in PDB 6hja: Xray Structure of Glic in Complex with Glutarate

Protein crystallography data

The structure of Xray Structure of Glic in Complex with Glutarate, PDB code: 6hja 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) 44.00 / 2.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 180.866, 134.412, 160.309, 90.00, 102.20, 90.00
R / Rfree (%) 19.7 / 21.9

Other elements in 6hja:

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

Sodium (Na) 4 atoms

Chlorine Binding Sites:

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 Glutarate (pdb code 6hja). 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 Glutarate, PDB code: 6hja:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 6hja

Go back to Chlorine Binding Sites List in 6hja
Chlorine binding site 1 out of 11 in the Xray Structure of Glic in Complex with Glutarate


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 Glutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:0.0
occ:1.00
 N A:PHE78 3.2 96.9 1.0
CB A:PHE78 3.9 99.5 1.0
CD2 A:PHE78 3.9 1.0 1.0
O A:PHE78 3.9 98.2 1.0
CG A:ARG85 3.9 0.8 1.0
CG2 A:VAL81 4.0 96.6 1.0
CA A:ARG77 4.0 93.1 1.0
N A:ARG85 4.0 0.9 1.0
NH1 A:ARG85 4.0 0.4 1.0
CA A:PHE78 4.0 97.2 1.0
CB A:ARG77 4.1 91.8 1.0
C A:ARG77 4.1 99.1 1.0
CA A:ALA84 4.3 0.0 1.0
CG A:PHE78 4.4 0.6 1.0
C A:PHE78 4.5 98.4 1.0
CB A:ARG85 4.5 0.3 1.0
CG A:ARG77 4.6 0.1 1.0
CB A:ALA84 4.6 0.6 1.0
NH1 E:ARG105 4.7 0.4 1.0
C A:ALA84 4.7 0.3 1.0
CD A:ARG85 4.8 0.3 1.0
CA A:ARG85 4.9 0.9 1.0
CZ A:ARG85 5.0 0.9 1.0
CE2 A:PHE78 5.0 0.1 1.0

Chlorine binding site 2 out of 11 in 6hja

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


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 Glutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:0.1
occ:1.00
 OD1 A:ASN139 3.3 0.7 1.0
N A:LEU180 3.5 0.5 1.0
CA A:ARG179 4.0 0.6 1.0
CB A:LEU180 4.0 0.9 1.0
CG A:ASN139 4.2 0.6 1.0
C A:ARG179 4.2 0.2 1.0
CB A:SER134 4.3 0.4 1.0
O A:ASP178 4.3 0.1 1.0
CD A:ARG179 4.3 0.3 1.0
CA A:LEU180 4.4 0.9 1.0
ND2 A:ASN139 4.4 1.0 1.0
CB A:ARG179 4.6 0.1 1.0
CG A:ARG179 4.8 0.1 1.0
OG A:SER134 4.9 0.5 1.0

Chlorine binding site 3 out of 11 in 6hja

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


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 Glutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:0.2
occ:1.00
 NH2 A:ARG85 3.5 0.9 1.0
O A:PRO74 3.7 0.1 1.0
N A:ILE76 4.1 95.5 1.0
O A:ILE76 4.1 99.5 1.0
CG2 A:ILE73 4.3 0.3 1.0
OH A:TYR102 4.4 0.7 1.0
CA A:GLU75 4.5 98.0 1.0
OE1 A:GLU104 4.6 0.7 1.0
C A:PRO74 4.7 0.5 1.0
CZ A:ARG85 4.8 0.9 1.0
C A:GLU75 4.8 98.6 1.0
CZ A:TYR102 4.9 0.3 1.0
CA A:ILE76 4.9 95.3 1.0
CB A:ILE76 4.9 99.0 1.0
C A:ILE76 4.9 99.0 1.0
CD1 A:LEU45 5.0 98.8 1.0

Chlorine binding site 4 out of 11 in 6hja

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


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 Glutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:0.4
occ:1.00
 N B:PHE78 3.1 92.0 1.0
CD2 B:PHE78 3.5 0.8 1.0
CB B:PHE78 3.6 94.8 1.0
CG B:ARG85 3.7 0.8 1.0
NH1 B:ARG85 3.8 0.5 1.0
CA B:PHE78 3.8 92.4 1.0
O B:PHE78 3.9 96.1 1.0
CG2 B:VAL81 3.9 96.9 1.0
CA B:ARG77 4.0 84.8 1.0
C B:ARG77 4.0 90.9 1.0
CG B:PHE78 4.0 99.2 1.0
N B:ARG85 4.0 0.6 1.0
CB B:ARG77 4.2 81.7 1.0
CB B:ARG85 4.3 0.5 1.0
C B:PHE78 4.4 94.8 1.0
CA B:ALA84 4.5 0.5 1.0
CD B:ARG85 4.5 0.4 1.0
CE2 B:PHE78 4.6 0.4 1.0
CZ B:ARG85 4.7 0.2 1.0
CG B:ARG77 4.7 97.8 1.0
CA B:ARG85 4.8 0.8 1.0
C B:ALA84 4.8 0.6 1.0
NH1 A:ARG105 4.9 0.4 1.0

Chlorine binding site 5 out of 11 in 6hja

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


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 Glutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl407

b:0.3
occ:1.00
 O B:PRO74 3.4 99.0 1.0
NH2 B:ARG85 3.4 96.6 1.0
N B:ILE76 3.7 88.1 1.0
O B:ILE76 3.7 89.5 1.0
CA B:GLU75 4.3 94.4 1.0
CG2 B:ILE73 4.4 91.6 1.0
CB B:ILE76 4.4 88.6 1.0
CA B:ILE76 4.4 86.0 1.0
C B:PRO74 4.4 99.8 1.0
C B:ILE76 4.5 89.9 1.0
C B:GLU75 4.5 93.8 1.0
OH B:TYR102 4.6 95.5 1.0
CZ B:ARG85 4.6 0.2 1.0
CD1 B:LEU45 4.7 90.6 1.0
OE1 B:GLU104 4.7 0.6 1.0
CG1 B:ILE76 4.8 91.5 1.0
N B:GLU75 4.9 97.2 1.0

Chlorine binding site 6 out of 11 in 6hja

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


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 Glutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl405

b:0.1
occ:1.00
 N C:PHE78 3.2 96.4 1.0
CB C:PHE78 3.7 97.9 1.0
CD2 C:PHE78 3.8 0.7 1.0
CG2 C:VAL81 3.8 97.4 1.0
O C:PHE78 3.8 97.1 1.0
CG C:ARG85 3.9 0.1 1.0
CA C:PHE78 4.0 95.8 1.0
N C:ARG85 4.0 0.7 1.0
CA C:ARG77 4.1 95.4 1.0
NH1 C:ARG85 4.1 0.3 1.0
C C:ARG77 4.1 99.3 1.0
CB C:ARG77 4.2 95.0 1.0
CG C:PHE78 4.2 0.9 1.0
CA C:ALA84 4.3 0.1 1.0
C C:PHE78 4.4 97.2 1.0
NH1 B:ARG105 4.4 0.9 1.0
CB C:ARG85 4.4 0.8 1.0
CB C:ALA84 4.7 0.1 1.0
C C:ALA84 4.7 0.2 1.0
CG C:ARG77 4.7 0.5 1.0
CD C:ARG85 4.8 0.8 1.0
CA C:ARG85 4.8 0.4 1.0
CE2 C:PHE78 4.9 0.6 1.0

Chlorine binding site 7 out of 11 in 6hja

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


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 Glutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl408

b:0.1
occ:1.00
 NH2 C:ARG85 3.5 0.5 1.0
O C:PRO74 3.5 1.0 1.0
N C:ILE76 3.9 98.8 1.0
O C:ILE76 4.0 99.6 1.0
CG2 C:ILE73 4.3 1.0 1.0
OH C:TYR102 4.4 0.0 1.0
CA C:GLU75 4.5 0.6 1.0
C C:PRO74 4.6 0.1 1.0
OE1 C:GLU104 4.7 0.5 1.0
CA C:ILE76 4.7 97.5 1.0
C C:GLU75 4.7 1.0 1.0
CB C:ILE76 4.7 100.0 1.0
CZ C:ARG85 4.8 0.0 1.0
CD1 C:LEU45 4.8 0.9 1.0
C C:ILE76 4.8 0.7 1.0
CZ C:TYR102 4.9 0.1 1.0
N C:GLU75 5.0 0.3 1.0

Chlorine binding site 8 out of 11 in 6hja

Go back to Chlorine Binding Sites List in 6hja
Chlorine binding site 8 out of 11 in the Xray Structure of Glic in Complex with Glutarate


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 Glutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl404

b:0.7
occ:1.00
 N D:PHE78 3.1 92.9 1.0
CB D:PHE78 3.7 94.5 1.0
CD2 D:PHE78 3.7 0.8 1.0
O D:PHE78 3.8 96.3 1.0
CG2 D:VAL81 3.9 97.4 1.0
CG D:ARG85 3.9 0.1 1.0
CA D:PHE78 3.9 92.6 1.0
N D:ARG85 3.9 0.0 1.0
NH1 D:ARG85 4.0 0.9 1.0
CA D:ARG77 4.0 91.2 1.0
C D:ARG77 4.1 95.7 1.0
CB D:ARG77 4.2 88.1 1.0
CG D:PHE78 4.2 98.1 1.0
CA D:ALA84 4.3 0.2 1.0
CB D:ARG85 4.4 0.1 1.0
C D:PHE78 4.4 95.1 1.0
CG D:ARG77 4.7 97.0 1.0
C D:ALA84 4.7 1.0 1.0
CB D:ALA84 4.7 0.1 1.0
NH1 C:ARG105 4.7 0.9 1.0
CD D:ARG85 4.7 0.8 1.0
CA D:ARG85 4.8 0.7 1.0
CE2 D:PHE78 4.8 0.2 1.0
CZ D:ARG85 5.0 0.9 1.0

Chlorine binding site 9 out of 11 in 6hja

Go back to Chlorine Binding Sites List in 6hja
Chlorine binding site 9 out of 11 in the Xray Structure of Glic in Complex with Glutarate


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 Glutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl408

b:0.2
occ:1.00
 NH2 D:ARG85 3.4 0.7 1.0
O D:PRO74 3.6 0.1 1.0
O D:ILE76 3.9 0.4 1.0
N D:ILE76 4.0 98.3 1.0
CG2 D:ILE73 4.4 0.3 1.0
OH D:TYR102 4.5 0.2 1.0
CA D:GLU75 4.5 98.9 1.0
OE1 D:GLU104 4.6 1.0 1.0
C D:PRO74 4.6 0.3 1.0
CZ D:ARG85 4.7 0.9 1.0
CA D:ILE76 4.7 97.7 1.0
C D:GLU75 4.7 0.6 1.0
CB D:ILE76 4.7 0.5 1.0
C D:ILE76 4.8 99.9 1.0
CD1 D:LEU45 4.9 0.7 1.0
CZ D:TYR102 5.0 0.9 1.0
N D:GLU75 5.0 0.8 1.0

Chlorine binding site 10 out of 11 in 6hja

Go back to Chlorine Binding Sites List in 6hja
Chlorine binding site 10 out of 11 in the Xray Structure of Glic in Complex with Glutarate


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 Glutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl403

b:0.5
occ:1.00
 N E:PHE78 3.2 100.0 1.0
CB E:PHE78 3.7 0.3 1.0
CD2 E:PHE78 3.8 0.7 1.0
O E:PHE78 3.8 0.0 1.0
CG2 E:VAL81 3.9 98.4 1.0
CA E:PHE78 3.9 99.4 1.0
CG E:ARG85 4.0 1.0 1.0
CA E:ARG77 4.0 97.7 1.0
N E:ARG85 4.0 0.6 1.0
C E:ARG77 4.1 0.8 1.0
NH1 E:ARG85 4.1 0.6 1.0
CB E:ARG77 4.1 98.0 1.0
CG E:PHE78 4.3 0.3 1.0
C E:PHE78 4.4 0.8 1.0
CA E:ALA84 4.4 0.6 1.0
CB E:ARG85 4.5 0.7 1.0
NH1 D:ARG105 4.6 0.0 1.0
CG E:ARG77 4.6 0.8 1.0
CB E:ALA84 4.7 0.3 1.0
C E:ALA84 4.8 0.6 1.0
CD E:ARG85 4.8 0.1 1.0
CE2 E:PHE78 4.9 0.6 1.0
CA E:ARG85 4.9 0.2 1.0

Reference:

Z.Fourati, M.Delarue. Xray Structure of Glic in Complex with Crotonate To Be Published.
Page generated: Sun Jul 28 00:49:44 2024

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