Chlorine in PDB 6xp6: 3C11-DQ2-Glia-A2 Complex

Protein crystallography data

The structure of 3C11-DQ2-Glia-A2 Complex, PDB code: 6xp6 was solved by J.Petersen, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.03 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.847, 143.047, 170.153, 90, 90, 90
R / Rfree (%) 17.6 / 21.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 3C11-DQ2-Glia-A2 Complex (pdb code 6xp6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 3C11-DQ2-Glia-A2 Complex, PDB code: 6xp6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6xp6

Go back to Chlorine Binding Sites List in 6xp6
Chlorine binding site 1 out of 4 in the 3C11-DQ2-Glia-A2 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 3C11-DQ2-Glia-A2 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl304

b:47.3
occ:1.00
N H:THR29 3.3 58.6 1.0
NH2 H:ARG106 3.3 37.4 1.0
OG1 H:THR29 3.5 50.5 1.0
NH1 H:ARG106 3.5 35.0 1.0
N H:VAL3 3.5 60.6 1.0
CA H:GLY28 3.8 60.0 1.0
CB H:VAL3 3.8 50.0 1.0
CZ H:ARG106 3.9 42.8 1.0
N H:SER34 3.9 40.0 1.0
CB H:ARG31 3.9 44.7 1.0
CG1 H:VAL3 4.0 45.0 1.0
C H:GLY28 4.1 59.7 1.0
CB H:SER34 4.1 47.1 1.0
CA H:GLN2 4.2 73.8 1.0
CB H:THR29 4.2 52.0 1.0
CA H:THR29 4.2 50.6 1.0
CA H:VAL3 4.3 55.7 1.0
CG2 H:THR29 4.3 58.8 1.0
C H:GLN2 4.3 65.2 1.0
O H:THR29 4.4 48.6 1.0
CA H:SER34 4.5 47.1 1.0
C H:ARG31 4.6 45.6 1.0
C H:THR29 4.6 49.6 1.0
CA H:ARG31 4.7 46.2 1.0
OG H:SER34 4.7 55.9 1.0
CD H:ARG31 4.7 52.7 1.0
N H:ARG31 4.8 46.0 1.0
CG H:ARG31 4.8 45.6 1.0

Chlorine binding site 2 out of 4 in 6xp6

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Chlorine binding site 2 out of 4 in the 3C11-DQ2-Glia-A2 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 3C11-DQ2-Glia-A2 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl305

b:76.4
occ:1.00
O H:HOH477 2.9 56.1 1.0
OG H:SER34 3.5 55.9 1.0
O H:ALA25 4.1 59.5 1.0
C H:ALA25 4.2 52.6 1.0
N H:GLY28 4.3 66.6 1.0
CB H:ALA25 4.3 39.4 1.0
CB H:SER34 4.3 47.1 1.0
OG H:SER85 4.3 60.8 1.0
CA H:SER26 4.4 46.7 1.0
N H:SER26 4.4 47.2 1.0
N H:GLY27 4.5 52.0 1.0
C H:SER26 4.6 56.3 1.0
CB H:SER85 4.7 55.8 1.0
CG2 H:VAL3 4.7 45.7 1.0
NH1 H:ARG35 4.7 69.8 0.5
CA H:GLY28 4.8 60.0 1.0
CA H:ALA25 4.9 45.7 1.0

Chlorine binding site 3 out of 4 in 6xp6

Go back to Chlorine Binding Sites List in 6xp6
Chlorine binding site 3 out of 4 in the 3C11-DQ2-Glia-A2 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 3C11-DQ2-Glia-A2 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl304

b:36.5
occ:1.00
N J:THR29 3.1 42.4 1.0
OG1 J:THR29 3.3 38.8 1.0
NH2 J:ARG106 3.4 23.4 1.0
NH1 J:ARG106 3.4 23.9 1.0
N J:VAL3 3.5 43.1 1.0
CA J:GLY28 3.7 44.1 1.0
CZ J:ARG106 3.9 28.5 1.0
C J:GLY28 3.9 48.0 1.0
CB J:VAL3 4.0 37.0 1.0
CA J:THR29 4.0 40.8 1.0
CA J:GLN2 4.0 65.6 1.0
O J:THR29 4.1 39.6 1.0
N J:SER34 4.1 27.9 1.0
CB J:THR29 4.1 44.2 1.0
CB J:ARG31 4.1 32.3 1.0
CG1 J:VAL3 4.2 33.2 1.0
C J:GLN2 4.2 53.3 1.0
CB J:SER34 4.3 30.6 1.0
C J:THR29 4.3 40.6 1.0
CA J:VAL3 4.3 39.8 1.0
CG2 J:THR29 4.4 32.6 1.0
CA J:SER34 4.7 29.2 1.0
CB J:GLN2 4.7 71.4 1.0
OG J:SER34 4.8 45.7 1.0
C J:ARG31 4.8 28.5 1.0
N J:ARG31 4.8 40.5 1.0
CA J:ARG31 4.8 33.0 1.0
CD J:ARG31 4.8 40.8 1.0
CG J:ARG31 5.0 35.2 1.0

Chlorine binding site 4 out of 4 in 6xp6

Go back to Chlorine Binding Sites List in 6xp6
Chlorine binding site 4 out of 4 in the 3C11-DQ2-Glia-A2 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 3C11-DQ2-Glia-A2 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:65.6
occ:1.00
O G:ASP56 3.5 35.9 1.0
OG G:SER65 4.0 32.5 1.0
ND2 G:ASN37 4.2 66.9 1.0
CG G:ASN37 4.3 55.6 1.0
CB G:ASN37 4.4 35.3 1.0
CB G:ASP56 4.5 30.8 1.0
C G:ASP56 4.7 34.2 1.0
OD1 G:ASN37 4.8 64.0 1.0

Reference:

R.Frick, L.S.Hoydahl, J.Petersen, S.Kumari, G.Berntsen, J.R.Jeliazkov, K.S.Gunnarsen, T.Frigstad, C.Llerena, E.S.Vik, K.E.A.Lundin, S.Yaqub, J.Jahnsen, J.J.Gray, J.Rossjohn, L.M.Sollid, I.Sandlie, G.A.Loset. A High-Affinity Human Tcr-Like Antibody Detects Celiac Disease Gluten Pmhc Complexes and Inhibits T-Cell Activation To Be Published.
Page generated: Sat Aug 21 13:08:21 2021

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