Chlorine in PDB 5wjl: Crystal Structure of Hla-A*11:01 with GTS1 Peptide

The structure of Crystal Structure of Hla-A*11:01 with GTS1 Peptide, PDB code: 5wjl 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)	46.90 / 3.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	155.500, 150.198, 105.829, 90.00, 120.53, 90.00
R / Rfree (%)	17.7 / 23.1

The binding sites of Chlorine atom in the Crystal Structure of Hla-A*11:01 with GTS1 Peptide (pdb code 5wjl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Hla-A*11:01 with GTS1 Peptide, PDB code: 5wjl:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Hla-A*11:01 with GTS1 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-A*11:01 with GTS1 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl101 b:72.2 occ:1.00 N C:VAL8 3.3 62.0 1.0 CG2 C:VAL8 3.7 62.5 1.0 CB C:PRO6 3.7 88.1 1.0 N C:ILE7 3.8 69.4 1.0 OE1 A:GLN156 3.8 83.8 1.0 NH1 A:ARG114 3.9 80.4 1.0 CB C:VAL8 3.9 62.7 1.0 O C:VAL8 4.1 62.1 1.0 CA C:ILE7 4.1 65.7 1.0 CA C:VAL8 4.1 59.9 1.0 O C:HOH201 4.1 42.1 1.0 C C:ILE7 4.2 69.6 1.0 CG C:PRO6 4.3 93.1 1.0 CE2 A:TRP147 4.3 62.1 1.0 CZ2 A:TRP147 4.4 61.2 1.0 NH2 A:ARG114 4.5 80.1 1.0 CB A:ALA152 4.6 63.2 1.0 NE1 A:TRP147 4.6 60.9 1.0 C C:VAL8 4.6 62.5 1.0 CZ A:ARG114 4.6 81.6 1.0 C C:PRO6 4.7 78.8 1.0 CH2 A:TRP147 4.8 60.6 1.0 CD2 A:TRP147 4.8 58.2 1.0 CA C:PRO6 4.8 85.6 1.0 CD A:GLN156 4.9 81.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Hla-A*11:01 with GTS1 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-A*11:01 with GTS1 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:90.8 occ:1.00 OE1 D:GLN156 3.5 87.6 1.0 N F:VAL8 3.7 83.2 1.0 NH2 D:ARG114 3.8 77.5 1.0 O F:VAL8 3.9 87.3 1.0 CB F:VAL8 4.2 84.0 1.0 CZ2 D:TRP147 4.2 72.7 1.0 CE2 D:TRP147 4.3 73.7 1.0 CG2 F:VAL8 4.3 83.9 1.0 CB F:PRO6 4.3 0.6 1.0 N F:ILE7 4.4 90.1 1.0 CA F:VAL8 4.4 81.5 1.0 CH2 D:TRP147 4.4 72.6 1.0 CA F:ILE7 4.4 87.3 1.0 CB D:ALA152 4.5 79.1 1.0 C F:VAL8 4.6 86.4 1.0 C F:ILE7 4.6 90.0 1.0 CD2 D:TRP147 4.6 69.6 1.0 CD D:GLN156 4.7 91.3 1.0 NE1 D:TRP147 4.7 72.2 1.0 CZ3 D:TRP147 4.7 71.8 1.0 CZ D:ARG114 4.8 0.2 1.0 CE3 D:TRP147 4.9 70.4 1.0 CG F:PRO6 4.9 0.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Hla-A*11:01 with GTS1 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-A*11:01 with GTS1 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl101 b:0.2 occ:1.00 O E:LEU87 2.7 0.4 1.0 OD1 E:ASN83 3.0 0.9 1.0 O E:HIS84 3.1 0.8 1.0 C E:HIS84 3.8 0.7 1.0 CG E:ASN83 3.8 0.5 1.0 C E:LEU87 3.9 0.6 1.0 O E:VAL85 3.9 1.0 1.0 ND2 E:ASN83 4.0 0.3 1.0 O E:SER88 4.1 0.2 1.0 CA E:VAL85 4.1 0.0 1.0 N E:VAL85 4.2 0.1 1.0 C E:VAL85 4.3 0.7 1.0 C E:SER88 4.4 0.8 1.0 N E:HIS84 4.5 0.4 1.0 N E:SER88 4.7 0.7 1.0 CA E:LEU87 4.7 0.8 1.0 CB E:LEU87 4.8 0.4 1.0 CA E:SER88 4.8 0.9 1.0 CA E:HIS84 4.8 0.3 1.0 N E:LEU87 4.8 0.1 1.0 N E:GLN89 4.9 0.5 1.0

A.Culshaw, K.Ladell, S.Gras, J.E.Mclaren, K.L.Miners, C.Farenc, H.Van Den Heuvel, E.Gostick, W.Dejnirattisai, A.Wangteeraprasert, T.Duangchinda, P.Chotiyarnwong, W.Limpitikul, S.Vasanawathana, P.Malasit, T.Dong, J.Rossjohn, J.Mongkolsapaya, D.A.Price, G.R.Screaton. Germline Bias Dictates Cross-Serotype Reactivity in A Common Dengue-Virus-Specific CD8(+) T Cell Response. Nat. Immunol. V. 18 1228 2017.
ISSN: ESSN 1529-2916
PubMed: 28945243
DOI: 10.1038/NI.3850