Chlorine in PDB 6tlq: Ror(Gamma)T Ligand Binding Domain in Complex with Cholesterol and Allosteric Ligand Glenmark

Protein crystallography data

The structure of Ror(Gamma)T Ligand Binding Domain in Complex with Cholesterol and Allosteric Ligand Glenmark, PDB code: 6tlq was solved by R.M.J.M.De Vries, F.A.Meijer, L.Brunsveld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 68.15 / 1.76
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 108.861, 108.861, 98.636, 90.00, 90.00, 120.00
R / Rfree (%) 17.8 / 21.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ror(Gamma)T Ligand Binding Domain in Complex with Cholesterol and Allosteric Ligand Glenmark (pdb code 6tlq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ror(Gamma)T Ligand Binding Domain in Complex with Cholesterol and Allosteric Ligand Glenmark, PDB code: 6tlq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6tlq

Go back to Chlorine Binding Sites List in 6tlq
Chlorine binding site 1 out of 2 in the Ror(Gamma)T Ligand Binding Domain in Complex with Cholesterol and Allosteric Ligand Glenmark


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ror(Gamma)T Ligand Binding Domain in Complex with Cholesterol and Allosteric Ligand Glenmark within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:32.2
occ:1.00
CL1 A:MJE602 0.0 32.2 1.0
C16 A:MJE602 1.7 28.5 1.0
C15 A:MJE602 2.6 23.4 1.0
C17 A:MJE602 2.7 32.5 1.0
C14 A:MJE602 2.9 23.7 1.0
O3 A:MJE602 3.2 27.8 1.0
NE2 A:GLN484 3.4 30.2 0.7
CD A:GLN484 3.5 34.4 0.7
CG A:GLN484 3.5 32.0 0.3
O A:HOH712 3.6 37.0 1.0
OE1 A:GLN484 3.7 35.5 0.7
N2 A:MJE602 3.8 29.0 1.0
C20 A:MJE602 3.9 24.8 1.0
C18 A:MJE602 4.0 33.0 1.0
O A:LEU505 4.1 31.0 1.0
CZ A:PHE506 4.1 27.4 1.0
CG A:GLN484 4.1 37.1 0.7
N1 A:MJE602 4.3 26.7 1.0
CD A:GLN484 4.3 35.6 0.3
CB A:LEU483 4.3 22.8 1.0
CD1 A:LEU505 4.4 32.6 1.0
OE1 A:GLN484 4.4 29.7 0.3
CE1 A:PHE506 4.4 29.1 1.0
C19 A:MJE602 4.4 28.5 1.0
CE2 A:PHE506 4.5 25.5 1.0
N A:GLN484 4.5 26.6 1.0
CA A:GLN484 4.6 31.1 0.3
C A:LEU483 4.6 25.5 1.0
CB A:LEU505 4.6 27.6 1.0
CA A:GLN484 4.6 31.1 0.7
CB A:GLN484 4.7 34.5 0.3
C4 A:MJE602 4.7 26.2 1.0
O A:LEU483 4.7 28.8 1.0
O A:VAL480 4.9 30.6 1.0
CG1 A:VAL480 4.9 31.3 1.0
CG A:LEU505 4.9 30.1 1.0
C A:LEU505 4.9 31.8 1.0

Chlorine binding site 2 out of 2 in 6tlq

Go back to Chlorine Binding Sites List in 6tlq
Chlorine binding site 2 out of 2 in the Ror(Gamma)T Ligand Binding Domain in Complex with Cholesterol and Allosteric Ligand Glenmark


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ror(Gamma)T Ligand Binding Domain in Complex with Cholesterol and Allosteric Ligand Glenmark within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:29.6
occ:1.00
CL2 A:MJE602 0.0 29.6 1.0
C20 A:MJE602 1.7 24.8 1.0
C15 A:MJE602 2.7 23.4 1.0
C19 A:MJE602 2.7 28.5 1.0
C14 A:MJE602 3.0 23.7 1.0
N2 A:MJE602 3.3 29.0 1.0
N1 A:MJE602 3.4 26.7 1.0
C A:LEU324 3.5 23.4 1.0
N A:THR325 3.6 23.8 0.5
N A:THR325 3.6 24.3 0.5
CG2 A:THR325 3.6 27.0 0.5
CB A:LEU324 3.6 22.5 1.0
O A:LEU324 3.7 23.8 1.0
CE A:MET358 3.7 24.9 1.0
O3 A:MJE602 3.7 27.8 1.0
CA A:THR325 3.8 26.6 0.5
CA A:THR325 3.9 26.7 0.5
OG1 A:THR325 3.9 28.9 0.5
C16 A:MJE602 4.0 28.5 1.0
C18 A:MJE602 4.0 33.0 1.0
CG1 A:ILE328 4.1 21.4 1.0
CA A:LEU324 4.2 20.3 1.0
CD1 A:LEU483 4.3 24.4 1.0
C4 A:MJE602 4.3 26.2 1.0
CB A:THR325 4.3 27.3 0.5
C6 A:MJE602 4.3 27.7 1.0
O A:ALA321 4.5 24.8 1.0
C17 A:MJE602 4.5 32.5 1.0
CB A:THR325 4.6 27.8 0.5
C5 A:MJE602 4.9 26.6 1.0
CB A:ILE328 4.9 22.0 1.0
CG A:LEU324 4.9 25.0 1.0
C13 A:MJE602 4.9 24.9 1.0

Reference:

R.M.J.M.De Vries, F.A.Meijer, R.G.Doveston, L.Brunsveld. Ror(Gamma)T Ligand Binding Domain in Complex with Cholesterol and Allosteric Ligand Glenmark To Be Published.
Page generated: Thu Dec 17 10:45:45 2020

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