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Chlorine in PDB 5wmp: Crystal Structure of Hla-B7 in Complex with Tpr, A Cmv Peptide

Protein crystallography data

The structure of Crystal Structure of Hla-B7 in Complex with Tpr, A Cmv Peptide, PDB code: 5wmp was solved by S.Gras, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.24 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.863, 81.720, 110.943, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 19.9

Other elements in 5wmp:

The structure of Crystal Structure of Hla-B7 in Complex with Tpr, A Cmv Peptide also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Iodine (I) 4 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hla-B7 in Complex with Tpr, A Cmv Peptide (pdb code 5wmp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Hla-B7 in Complex with Tpr, A Cmv Peptide, PDB code: 5wmp:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5wmp

Go back to Chlorine Binding Sites List in 5wmp
Chlorine binding site 1 out of 4 in the Crystal Structure of Hla-B7 in Complex with Tpr, A Cmv Peptide


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 Hla-B7 in Complex with Tpr, A Cmv Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:16.2
occ:1.00
O A:HOH709 2.9 36.1 1.0
O A:HOH641 3.5 23.5 1.0
CB A:TRP51 3.9 13.0 1.0
CD1 A:TRP51 4.1 15.1 1.0
CA A:GLY175 4.1 10.5 1.0
CG A:LYS178 4.1 33.4 1.0
O A:ASN174 4.4 15.7 1.0
CG A:TRP51 4.4 12.8 1.0
C A:GLY175 4.4 15.1 1.0
O A:GLY175 4.5 14.2 1.0
CB A:LYS178 4.6 16.4 1.0
N A:TRP51 4.7 14.0 1.0
CA A:TRP51 4.7 14.2 1.0
CB A:ASP177 4.7 13.4 1.0
N A:LYS178 4.8 11.2 1.0
CG A:PRO50 4.9 21.8 1.0
N A:ASP177 4.9 13.2 1.0

Chlorine binding site 2 out of 4 in 5wmp

Go back to Chlorine Binding Sites List in 5wmp
Chlorine binding site 2 out of 4 in the Crystal Structure of Hla-B7 in Complex with Tpr, A Cmv Peptide


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 Hla-B7 in Complex with Tpr, A Cmv Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:19.5
occ:1.00
NA A:NA303 2.2 33.7 1.0
O A:HOH626 3.0 27.9 1.0
O B:HOH271 3.1 18.3 1.0
O B:HOH340 3.7 31.1 1.0
N A:GLU232 3.7 9.9 1.0
NE2 B:GLN8 3.8 12.5 1.0
CD B:GLN8 3.9 12.0 1.0
CG B:GLN8 4.0 7.7 1.0
O A:HOH672 4.0 30.7 1.0
CG A:GLU232 4.0 29.3 1.0
CA A:VAL231 4.2 9.7 1.0
CB A:VAL231 4.2 12.0 1.0
CB A:GLU232 4.4 11.6 1.0
CG1 A:VAL231 4.4 12.4 1.0
C A:VAL231 4.5 11.9 1.0
CD B:LYS6 4.5 26.2 1.0
OE1 B:GLN8 4.5 10.9 1.0
O B:HOH328 4.6 17.5 1.0
CB B:LYS6 4.7 12.8 1.0
CA A:GLU232 4.7 9.5 1.0

Chlorine binding site 3 out of 4 in 5wmp

Go back to Chlorine Binding Sites List in 5wmp
Chlorine binding site 3 out of 4 in the Crystal Structure of Hla-B7 in Complex with Tpr, A Cmv Peptide


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 Hla-B7 in Complex with Tpr, A Cmv Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:19.1
occ:1.00
O A:HOH698 3.2 49.2 1.0
N A:SER88 3.4 15.3 1.0
O A:HOH725 3.5 29.8 1.0
OG A:SER88 3.7 32.5 1.0
CA A:GLN87 3.9 9.4 1.0
O A:HOH454 4.0 16.1 1.0
CB A:SER88 4.1 23.6 1.0
C A:GLN87 4.1 15.6 1.0
CB A:GLN87 4.1 10.1 1.0
CG A:GLN87 4.2 11.9 1.0
CA A:SER88 4.3 16.6 1.0
O A:HOH464 4.5 20.0 1.0
O A:ASN86 4.8 14.5 1.0

Chlorine binding site 4 out of 4 in 5wmp

Go back to Chlorine Binding Sites List in 5wmp
Chlorine binding site 4 out of 4 in the Crystal Structure of Hla-B7 in Complex with Tpr, A Cmv Peptide


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 Hla-B7 in Complex with Tpr, A Cmv Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl103

b:26.1
occ:1.00
O B:HOH284 2.9 22.8 1.0
O B:HOH227 3.3 15.7 1.0
CA B:HIS84 3.9 10.0 1.0
O B:ASN83 3.9 12.0 1.0
N B:HIS84 4.1 10.9 1.0
C B:ASN83 4.1 12.4 1.0
CA B:ILE35 4.2 7.4 1.0
O B:ASP34 4.2 11.4 1.0
CG B:GLU36 4.3 16.4 1.0
C B:HIS84 4.3 13.7 1.0
N B:VAL85 4.3 11.4 1.0
C B:ASP34 4.4 10.7 1.0
N B:ILE35 4.4 7.4 1.0
N B:GLU36 4.4 9.3 1.0
C B:ILE35 4.5 11.9 1.0
CB B:ASN83 4.7 12.7 1.0
O B:HOH341 4.7 29.8 1.0
CB B:ASP34 4.9 12.3 1.0
CB B:GLU36 4.9 13.1 1.0
O B:HOH337 5.0 20.0 1.0

Reference:

L.C.Rowntree, T.H.O.Nguyen, H.Halim, A.W.Purcell, J.Rossjohn, S.Gras, T.C.Kotsimbos, N.A.Mifsud. Inability to Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity Among Common Viruses. J. Immunol. V. 200 3993 2018.
ISSN: ESSN 1550-6606
PubMed: 29735483
DOI: 10.4049/JIMMUNOL.1800010
Page generated: Sat Dec 12 12:37:09 2020

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