Chlorine in PDB 6puj: Structure of Human Mait A-F7 Tcr in Complex with Human MR1-3`Oh- Propyl-5-Op-U

Protein crystallography data

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-3`Oh- Propyl-5-Op-U, PDB code: 6puj was solved by W.Awad, A.N.Keller, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.77 / 1.92
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 218.607, 70.776, 143.802, 90.00, 104.56, 90.00
R / Rfree (%) 16.3 / 19.4

Other elements in 6puj:

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-3`Oh- Propyl-5-Op-U 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 MR1-3`Oh- Propyl-5-Op-U (pdb code 6puj). 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 MR1-3`Oh- Propyl-5-Op-U, PDB code: 6puj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6puj

Go back to Chlorine Binding Sites List in 6puj
Chlorine binding site 1 out of 2 in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-3`Oh- Propyl-5-Op-U


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 MR1-3`Oh- Propyl-5-Op-U within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:41.3
occ:0.78
O A:HOH635 3.1 59.3 1.0
N A:ALA131 3.2 34.7 1.0
CE A:LYS140 3.8 40.6 1.0
O A:TRP129 3.8 42.5 1.0
CD A:LYS140 3.8 42.7 1.0
NZ A:LYS140 3.8 40.3 1.0
CA A:LEU130 3.8 36.4 1.0
CD1 A:LEU130 3.9 42.7 1.0
O A:ALA131 4.0 46.9 1.0
C A:LEU130 4.0 40.6 1.0
CB A:ALA131 4.1 41.1 1.0
CA A:ALA131 4.1 37.5 1.0
C A:ALA131 4.5 46.2 1.0
C A:TRP129 4.7 40.0 1.0
CG A:LEU130 4.7 42.0 1.0
CB A:LEU130 4.7 39.1 1.0
N A:LEU130 4.7 39.1 1.0

Chlorine binding site 2 out of 2 in 6puj

Go back to Chlorine Binding Sites List in 6puj
Chlorine binding site 2 out of 2 in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-3`Oh- Propyl-5-Op-U


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 MR1-3`Oh- Propyl-5-Op-U within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:70.7
occ:1.00
O D:HOH349 2.9 49.9 1.0
NH2 C:ARG167 3.0 57.1 1.0
CD C:ARG167 3.5 56.0 1.0
CD2 C:TRP164 4.1 36.0 1.0
CZ C:ARG167 4.1 55.5 1.0
OG D:SER93 4.1 47.7 0.2
CE3 C:TRP164 4.1 38.9 1.0
O C:ALA163 4.2 35.6 1.0
NE C:ARG167 4.3 56.7 1.0
CE2 C:TRP164 4.3 37.5 1.0
C C:ALA163 4.4 36.3 1.0
CZ3 C:TRP164 4.4 38.9 1.0
N C:TRP164 4.4 36.4 1.0
CA C:TRP164 4.5 36.6 1.0
O C:HOH604 4.5 59.5 1.0
CG C:TRP164 4.5 35.4 1.0
CH2 C:TRP164 4.6 36.1 1.0
CZ2 C:TRP164 4.6 38.0 1.0
CB C:ARG167 4.6 48.9 1.0
CB C:ALA163 4.7 36.9 1.0
CG C:ARG167 4.7 54.6 1.0
O D:HOH347 4.8 58.3 1.0
CB D:SER93 4.9 45.0 0.8
NE1 C:TRP164 4.9 37.4 1.0
CB D:SER93 4.9 45.0 0.2
O C:HOH454 4.9 45.5 1.0
CD1 C:TRP164 5.0 35.4 1.0

Reference:

W.Awad, A.N.Keller, J.Rossjohn. The Molecular Basis Underpinning the Potency and Specificity of Mait Cell Antigens To Be Published.
Page generated: Sat Dec 12 13:32:04 2020

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