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Chlorine in PDB 6puc: Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5-Op-Ru

Protein crystallography data

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5-Op-Ru, PDB code: 6puc was solved by W.Awad, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.34 / 1.85
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 217.967, 70.248, 143.634, 90.00, 104.81, 90.00
R / Rfree (%) 15.9 / 17.8

Other elements in 6puc:

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5-Op-Ru also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5-Op-Ru (pdb code 6puc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5-Op-Ru, PDB code: 6puc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6puc

Go back to Chlorine Binding Sites List in 6puc
Chlorine binding site 1 out of 2 in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5-Op-Ru


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5-Op-Ru within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:70.3
occ:1.00
NE A:ARG1 2.9 51.2 1.0
O A:HOH480 3.0 40.1 1.0
O A:HOH437 3.2 38.9 1.0
CE1 A:HIS3 3.3 37.4 1.0
CD A:ARG1 3.6 64.5 1.0
CZ A:ARG1 3.7 43.6 1.0
NH2 A:ARG1 3.7 40.5 1.0
ND1 A:HIS3 3.8 34.9 1.0
CB A:PRO207 3.8 31.5 1.0
O A:HOH506 3.8 41.8 1.0
CB A:ARG1 3.9 51.5 1.0
O A:LEU176 3.9 33.2 1.0
O A:THR2 4.0 32.4 1.0
CG A:PRO207 4.0 34.8 1.0
NE2 A:HIS3 4.1 37.6 1.0
OD2 A:ASP29 4.2 36.1 1.0
CG A:ARG1 4.3 60.8 1.0
OE1 A:GLU209 4.6 34.0 1.0
CG A:HIS3 4.8 28.6 1.0
CG A:ASP29 4.8 40.0 1.0
NH1 A:ARG1 4.9 46.1 1.0
O A:HOH579 4.9 39.3 1.0
CD2 A:HIS3 5.0 36.3 1.0

Chlorine binding site 2 out of 2 in 6puc

Go back to Chlorine Binding Sites List in 6puc
Chlorine binding site 2 out of 2 in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5-Op-Ru


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5-Op-Ru within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl103

b:41.5
occ:1.00
NZ F:LYS91 3.1 33.2 1.0
CG2 F:THR4 4.1 27.5 1.0
CE F:LYS91 4.2 34.1 1.0
O F:HOH232 4.4 29.1 1.0
O F:HOH278 4.6 49.6 1.0
OG1 F:THR4 4.8 31.4 1.0

Reference:

W.Awad, J.Rossjohn. The Molecular Basis Underpinning the Potency and Specificity of Mait Cell Antigens To Be Published.
Page generated: Mon Jul 29 13:37:11 2024

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