Chlorine in PDB 5u72: Structure of Human MR1-5OH-Dcf in Complex with Human Mait A-F7 Tcr

The structure of Structure of Human MR1-5OH-Dcf in Complex with Human Mait A-F7 Tcr, PDB code: 5u72 was solved by A.N.Keller, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.82 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	213.090, 69.600, 142.370, 90.00, 103.72, 90.00
R / Rfree (%)	17.3 / 23.1

The binding sites of Chlorine atom in the Structure of Human MR1-5OH-Dcf in Complex with Human Mait A-F7 Tcr (pdb code 5u72). 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 MR1-5OH-Dcf in Complex with Human Mait A-F7 Tcr, PDB code: 5u72:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Human MR1-5OH-Dcf in Complex with Human Mait A-F7 Tcr


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 MR1-5OH-Dcf in Complex with Human Mait A-F7 Tcr within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:76.2 occ:1.00 CL1 C:7ZV301 0.0 76.2 1.0 C9 C:7ZV301 1.7 59.6 1.0 C8 C:7ZV301 2.7 58.5 1.0 C4 C:7ZV301 2.7 59.3 1.0 N C:7ZV301 3.0 57.8 1.0 NZ C:LYS43 3.3 47.6 1.0 CE1 C:TYR62 3.4 25.6 1.0 CZ C:TYR62 3.5 26.3 1.0 C3 C:7ZV301 3.7 57.6 1.0 CD1 C:TYR62 3.7 26.4 1.0 CE2 C:TYR62 3.8 27.2 1.0 OH C:TYR7 3.9 43.9 1.0 C7 C:7ZV301 4.0 59.8 1.0 C5 C:7ZV301 4.0 59.2 1.0 OH C:TYR62 4.0 34.1 1.0 CE1 C:HIS58 4.0 38.1 1.0 NE2 C:HIS58 4.0 34.2 1.0 CG C:TYR62 4.0 33.2 1.0 CD2 C:TYR62 4.1 27.3 1.0 O D:HOH312 4.3 35.3 1.0 C10 C:7ZV301 4.4 58.6 1.0 C2 C:7ZV301 4.4 54.8 1.0 CE C:LYS43 4.4 47.0 1.0 CZ C:TYR7 4.4 38.0 1.0 C1 C:7ZV301 4.5 45.4 1.0 C6 C:7ZV301 4.5 59.5 1.0 CE1 C:TYR7 4.8 33.5 1.0 CH2 C:TRP164 4.9 31.5 1.0 CZ2 C:TRP164 5.0 32.2 1.0

Chlorine binding site 2 out of 2 in the Structure of Human MR1-5OH-Dcf in Complex with Human Mait A-F7 Tcr


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 MR1-5OH-Dcf in Complex with Human Mait A-F7 Tcr within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:66.0 occ:1.00 CL C:7ZV301 0.0 66.0 1.0 C5 C:7ZV301 1.7 59.2 1.0 C6 C:7ZV301 2.7 59.5 1.0 C4 C:7ZV301 2.7 59.3 1.0 N C:7ZV301 3.0 57.8 1.0 CG C:TYR7 3.4 35.3 1.0 CD2 C:TYR7 3.4 40.8 1.0 C10 C:7ZV301 3.4 58.6 1.0 C3 C:7ZV301 3.4 57.6 1.0 CB C:TYR7 3.6 24.5 1.0 O E:HOH318 3.9 26.4 1.0 CH2 C:TRP156 3.9 26.5 1.0 CG2 C:ILE96 3.9 21.0 1.0 CD1 C:TYR7 4.0 31.6 1.0 O D:HOH318 4.0 27.3 1.0 C7 C:7ZV301 4.0 59.8 1.0 C9 C:7ZV301 4.0 59.6 1.0 CE2 C:TYR7 4.0 39.4 1.0 CZ2 C:TRP156 4.0 26.4 1.0 C8 C:7ZV301 4.5 58.5 1.0 CE1 C:TYR7 4.5 33.5 1.0 CZ C:TYR7 4.5 38.0 1.0 C11 C:7ZV301 4.5 59.9 1.0 O C:7ZV301 4.5 41.5 1.0 C2 C:7ZV301 4.6 54.8 1.0 O D:HOH312 4.9 35.3 1.0 CZ3 C:TRP156 4.9 28.9 1.0 O C:HOH415 5.0 37.4 1.0

A.N.Keller, J.Rossjohn. T-Cell Receptor Complex Nat.Immunol. 2017.
ISSN: ESSN 1529-2916
DOI: 10.1038/NI.3679