Atomistry » Chlorine » PDB 3fee-3fpi » 3ffc
Atomistry »
  Chlorine »
    PDB 3fee-3fpi »
      3ffc »

Chlorine in PDB 3ffc: Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr

Protein crystallography data

The structure of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr, PDB code: 3ffc was solved by S.Gras, S.R.Burrows, L.Kjer-Nielsen, C.S.Clements, Y.C.Liu, L.C.Sullivan, A.G.Brooks, A.W.Purcell, J.Mccluskey, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.80
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 111.564, 171.807, 272.690, 90.00, 90.00, 90.00
R / Rfree (%) 22.1 / 26.8

Other elements in 3ffc:

The structure of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr also contains other interesting chemical elements:

Cadmium (Cd) 10 atoms
Sodium (Na) 10 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr (pdb code 3ffc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr, PDB code: 3ffc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 3ffc

Go back to Chlorine Binding Sites List in 3ffc
Chlorine binding site 1 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl279

b:27.6
occ:1.00
NH1 A:ARG17 3.0 38.5 1.0
NH1 F:ARG17 3.4 38.0 1.0
CD F:ARG14 4.3 27.9 1.0
CZ A:ARG17 4.3 38.3 1.0
CD A:ARG17 4.3 31.9 1.0
CD F:ARG17 4.3 32.5 1.0
CZ F:ARG17 4.5 37.9 1.0
NH1 A:ARG14 4.6 32.2 1.0
NE A:ARG17 4.8 35.8 1.0
CB A:ARG17 4.8 25.1 1.0
CD A:ARG14 4.8 27.5 1.0
CB F:ARG17 4.9 25.3 1.0
NE F:ARG17 4.9 35.8 1.0
NH1 F:ARG14 4.9 32.0 1.0
NE F:ARG14 5.0 30.8 1.0

Chlorine binding site 2 out of 11 in 3ffc

Go back to Chlorine Binding Sites List in 3ffc
Chlorine binding site 2 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl280

b:37.2
occ:1.00
OD2 F:ASP39 3.3 41.5 1.0
OD1 F:ASP39 3.3 40.5 1.0
OD2 A:ASP39 3.4 40.5 1.0
OD1 A:ASP39 3.4 39.5 1.0
CG A:ASP39 3.7 38.8 1.0
CG F:ASP39 3.7 39.1 1.0
NH1 A:ARG14 4.2 32.2 1.0
CB A:ASP39 5.0 37.5 1.0

Chlorine binding site 3 out of 11 in 3ffc

Go back to Chlorine Binding Sites List in 3ffc
Chlorine binding site 3 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl283

b:36.8
occ:1.00
CD G:CD100 2.4 35.4 1.0
OD1 G:ASP38 3.3 23.1 1.0
OE1 A:GLU19 3.4 21.4 1.0
NH2 A:ARG75 3.5 20.6 1.0
OE1 G:GLU36 3.5 25.8 1.0
CD G:ARG45 3.8 26.0 1.0
OD2 G:ASP38 3.8 23.1 1.0
CG G:ASP38 3.8 22.1 1.0
NE G:ARG45 4.1 27.0 1.0
NH2 G:ARG81 4.2 24.7 1.0
CZ A:ARG75 4.5 20.4 1.0
NE A:ARG75 4.6 20.2 1.0
CD A:GLU19 4.6 23.5 1.0
CD G:GLU36 4.6 23.9 1.0
CD A:PRO20 4.8 20.7 1.0
OE2 A:GLU19 4.9 25.3 1.0

Chlorine binding site 4 out of 11 in 3ffc

Go back to Chlorine Binding Sites List in 3ffc
Chlorine binding site 4 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl102

b:56.0
occ:1.00
NE2 B:HIS51 2.9 39.6 1.0
CE1 B:HIS51 3.8 39.7 1.0
CD2 B:HIS51 3.8 39.4 1.0
O B:VAL49 4.7 34.3 1.0
CD B:CD101 4.8 0.3 1.0
ND1 B:HIS51 4.8 38.9 1.0
CG B:HIS51 4.9 38.1 1.0

Chlorine binding site 5 out of 11 in 3ffc

Go back to Chlorine Binding Sites List in 3ffc
Chlorine binding site 5 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl2

b:40.0
occ:1.00
CB D:ALA79 3.1 49.0 1.0
N D:ALA79 3.2 48.8 1.0
NH2 D:ARG80 3.5 51.6 1.0
CA D:ALA79 3.6 48.9 1.0
N D:ARG80 3.8 48.9 1.0
NE D:ARG80 3.8 51.6 1.0
N D:LYS78 4.0 48.3 1.0
C D:GLN77 4.0 48.3 1.0
CB D:GLN77 4.0 48.8 1.0
CZ D:ARG80 4.1 51.5 1.0
C D:ALA79 4.2 49.0 1.0
CA D:GLN77 4.2 48.5 1.0
C D:LYS78 4.4 48.6 1.0
O D:GLN77 4.4 48.2 1.0
CA D:LYS78 4.7 48.5 1.0
CB D:ARG80 4.8 48.9 1.0
CG D:GLN77 4.9 49.3 1.0
CA D:ARG80 4.9 48.8 1.0

Chlorine binding site 6 out of 11 in 3ffc

Go back to Chlorine Binding Sites List in 3ffc
Chlorine binding site 6 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl264

b:57.8
occ:1.00
OE2 G:GLU44 3.6 32.6 1.0
CD G:GLU44 4.0 32.9 1.0
O E:LYS83 4.1 20.7 1.0
CG G:GLU44 4.3 29.5 1.0
C E:LYS83 4.4 21.0 1.0
CA E:LYS83 4.5 21.2 1.0
CD E:LYS83 4.7 24.0 1.0
OE1 G:GLU44 4.7 34.9 1.0
CB E:LYS83 4.8 21.5 1.0
NH1 A:ARG79 5.0 23.4 0.5

Chlorine binding site 7 out of 11 in 3ffc

Go back to Chlorine Binding Sites List in 3ffc
Chlorine binding site 7 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl279

b:34.1
occ:1.00
N F:THR233 3.6 27.5 1.0
NZ F:LYS243 3.6 23.1 1.0
OG1 F:THR233 3.9 26.0 1.0
CA F:GLU232 3.9 29.7 1.0
CG F:GLU232 4.0 30.1 0.5
CB F:GLU232 4.2 29.9 1.0
C F:GLU232 4.2 28.6 1.0
CB F:THR233 4.3 25.9 1.0
CA F:THR233 4.6 26.3 1.0
CD F:GLU232 4.9 31.2 0.5

Chlorine binding site 8 out of 11 in 3ffc

Go back to Chlorine Binding Sites List in 3ffc
Chlorine binding site 8 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl102

b:33.2
occ:1.00
N G:LYS48 3.6 32.0 1.0
NH2 G:ARG45 3.8 27.0 1.0
NH1 G:ARG45 4.2 29.1 1.0
CA G:LYS48 4.3 33.0 1.0
CZ G:ARG45 4.5 27.9 1.0
CA G:GLU47 4.5 29.9 1.0
C G:GLU47 4.5 30.8 1.0
NH1 A:ARG75 4.8 21.9 1.0
OE1 A:GLN72 4.9 27.6 1.0
CB G:GLU47 5.0 29.9 1.0

Chlorine binding site 9 out of 11 in 3ffc

Go back to Chlorine Binding Sites List in 3ffc
Chlorine binding site 9 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl263

b:55.2
occ:1.00
CA J:HIS183 3.0 52.9 1.0
N J:HIS183 3.6 52.2 1.0
O J:HIS183 3.6 53.1 1.0
CD J:CD261 3.7 0.8 1.0
CB J:HIS183 3.7 53.0 1.0
C J:HIS183 3.8 53.2 1.0
C J:VAL182 4.3 51.5 1.0
O J:VAL182 4.4 51.3 1.0
OE2 J:GLU181 4.8 50.9 1.0
CD J:GLU181 4.9 51.4 1.0

Chlorine binding site 10 out of 11 in 3ffc

Go back to Chlorine Binding Sites List in 3ffc
Chlorine binding site 10 out of 11 in the Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of CF34 Tcr in Complex with Hla-B8/Flr within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl264

b:49.5
occ:1.00
NH2 J:ARG203 3.0 40.8 1.0
CZ J:ARG203 4.1 40.4 1.0
CE1 J:PHE137 4.3 22.9 1.0
NH1 J:ARG203 4.5 39.5 1.0
CD1 J:PHE137 4.7 22.8 1.0

Reference:

S.Gras, S.R.Burrows, L.Kjer-Nielsen, C.S.Clements, Y.C.Liu, L.C.Sullivan, M.J.Bell, A.G.Brooks, A.W.Purcell, J.Mccluskey, J.Rossjohn. The Shaping of T Cell Receptor Recognition By Self-Tolerance. Immunity V. 30 193 2009.
ISSN: ISSN 1074-7613
PubMed: 19167249
DOI: 10.1016/J.IMMUNI.2008.11.011
Page generated: Sat Dec 12 09:41:50 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy