Chlorine in PDB 8cxj: The IGI3 Domain of R28 Protein From S. Pyogenes Bound to CEACAM1

Protein crystallography data

The structure of The IGI3 Domain of R28 Protein From S. Pyogenes Bound to CEACAM1, PDB code: 8cxj was solved by D.A.Bonsor, A.J.Mccarthy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.96 / 3.05
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 76.962, 76.962, 334.849, 90, 90, 90
R / Rfree (%) 20.7 / 23.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The IGI3 Domain of R28 Protein From S. Pyogenes Bound to CEACAM1 (pdb code 8cxj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The IGI3 Domain of R28 Protein From S. Pyogenes Bound to CEACAM1, PDB code: 8cxj:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 8cxj

Go back to Chlorine Binding Sites List in 8cxj
Chlorine binding site 1 out of 3 in the The IGI3 Domain of R28 Protein From S. Pyogenes Bound to CEACAM1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The IGI3 Domain of R28 Protein From S. Pyogenes Bound to CEACAM1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:122.2
occ:1.00
O A:HIS22 3.2 128.7 1.0
C A:HIS22 3.6 112.6 1.0
CA A:HIS22 4.1 108.2 1.0
CB A:HIS22 4.3 100.2 1.0
N A:ASN23 4.4 81.8 1.0
OD1 A:ASN23 4.5 101.7 1.0
CA A:ASN23 4.7 97.5 1.0

Chlorine binding site 2 out of 3 in 8cxj

Go back to Chlorine Binding Sites List in 8cxj
Chlorine binding site 2 out of 3 in the The IGI3 Domain of R28 Protein From S. Pyogenes Bound to CEACAM1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The IGI3 Domain of R28 Protein From S. Pyogenes Bound to CEACAM1 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl203

b:98.7
occ:1.00
ND2 G:ASN81 3.4 119.8 1.0
CG2 G:THR79 3.4 93.1 1.0
NH1 G:ARG64 4.0 110.1 1.0
NH2 G:ARG64 4.2 108.4 1.0
CB G:THR79 4.2 96.7 1.0
OG1 G:THR79 4.2 118.6 1.0
CG G:ASN81 4.3 112.7 1.0
CB G:ASN81 4.4 103.6 1.0
CZ G:ARG64 4.6 103.3 1.0

Chlorine binding site 3 out of 3 in 8cxj

Go back to Chlorine Binding Sites List in 8cxj
Chlorine binding site 3 out of 3 in the The IGI3 Domain of R28 Protein From S. Pyogenes Bound to CEACAM1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The IGI3 Domain of R28 Protein From S. Pyogenes Bound to CEACAM1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:89.9
occ:1.00
CE D:LYS42 3.4 72.4 1.0
CD D:LYS42 3.5 87.8 1.0
O B:LEU75 3.6 81.8 1.0
O D:ALA76 3.9 81.5 1.0
CA B:ALA76 4.0 83.5 1.0
CG D:LYS42 4.1 82.1 1.0
CB D:LYS42 4.3 73.6 1.0
C B:LEU75 4.4 77.9 1.0
OH D:TYR43 4.4 69.2 1.0
O B:LYS78 4.5 75.7 1.0
N B:ALA76 4.6 77.0 1.0
O B:ALA76 4.6 84.9 1.0
CZ D:TYR43 4.7 74.9 1.0
C B:ALA76 4.7 80.6 1.0
CB B:ALA76 4.8 71.4 1.0
NZ D:LYS42 4.9 83.9 1.0
CE2 D:TYR43 4.9 66.5 1.0
O D:LYS78 4.9 70.5 1.0

Reference:

D.A.Bonsor, A.J.Mccarthy. The IGI3 Domain of R28 Protein From S. Pyogenes Bound to CEACAM1 To Be Published.
Page generated: Tue Jul 30 08:18:23 2024

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