Zinc in PDB 6bj2: TCR589 in Complex with Hiv(POL448-456)/Hla-B35

The structure of TCR589 in Complex with Hiv(POL448-456)/Hla-B35, PDB code: 6bj2 was solved by K.M.Jude, L.V.Sibener, K.C.Garcia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.76 / 3.35
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	156.480, 59.280, 123.570, 90.00, 110.77, 90.00
R / Rfree (%)	24.5 / 27.6

The binding sites of Zinc atom in the TCR589 in Complex with Hiv(POL448-456)/Hla-B35 (pdb code 6bj2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the TCR589 in Complex with Hiv(POL448-456)/Hla-B35, PDB code: 6bj2:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the TCR589 in Complex with Hiv(POL448-456)/Hla-B35


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of TCR589 in Complex with Hiv(POL448-456)/Hla-B35 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn303 b:0.9 occ:1.00 OD1 D:ASP120 2.0 0.0 1.0 OD2 D:ASP120 2.0 0.8 1.0 NE2 E:HIS135 2.0 0.4 1.0 CG D:ASP120 2.2 0.0 1.0 CE1 E:HIS135 2.7 0.9 1.0 CD2 E:HIS135 3.1 0.6 1.0 CB D:ASP120 3.7 0.9 1.0 ND1 E:HIS135 3.8 0.8 1.0 CG E:HIS135 4.0 0.2 1.0 CA D:ASP120 4.6 0.2 1.0 O D:ASP120 4.8 0.1 1.0 C D:ASP120 4.9 0.8 1.0

Zinc binding site 2 out of 3 in the TCR589 in Complex with Hiv(POL448-456)/Hla-B35


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of TCR589 in Complex with Hiv(POL448-456)/Hla-B35 within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn302 b:0.6 occ:1.00 OE2 E:GLU154 2.0 0.6 1.0 NE2 E:HIS152 2.0 0.2 1.0 NE2 E:HIS10 2.1 91.0 1.0 CE1 E:HIS152 2.5 0.1 1.0 CE1 E:HIS10 2.6 85.1 1.0 CD2 E:HIS152 3.0 0.2 1.0 CD E:GLU154 3.2 0.7 1.0 CD2 E:HIS10 3.3 79.0 1.0 ND1 E:HIS152 3.5 0.5 1.0 CG E:HIS152 3.7 0.8 1.0 CG E:GLU154 3.8 0.1 1.0 ND1 E:HIS10 3.8 80.4 1.0 CE2 E:TYR213 3.8 95.6 1.0 OE1 E:GLU154 4.2 0.1 1.0 CG E:HIS10 4.2 77.9 1.0 OH E:TYR213 4.2 80.1 1.0 CZ E:TYR213 4.3 82.2 1.0 CD2 E:TYR213 4.6 88.6 1.0

Zinc binding site 3 out of 3 in the TCR589 in Complex with Hiv(POL448-456)/Hla-B35


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of TCR589 in Complex with Hiv(POL448-456)/Hla-B35 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:0.4 occ:0.50 OE2 A:GLU58 2.0 0.4 1.0 O A:HOH401 2.2 0.1 1.0 CD A:GLU58 2.9 0.3 1.0 OE1 A:GLU58 3.2 0.1 1.0 CG A:GLU58 4.3 0.2 1.0

L.V.Sibener, R.A.Fernandes, E.M.Kolawole, C.B.Carbone, F.Liu, D.Mcaffee, M.E.Birnbaum, X.Yang, L.F.Su, W.Yu, S.Dong, M.H.Gee, K.M.Jude, M.M.Davis, J.T.Groves, W.A.Goddard Iii, J.R.Heath, B.D.Evavold, R.D.Vale, K.C.Garcia. Isolation of A Structural Mechanism For Uncoupling T Cell Receptor Signaling From Peptide-Mhc Binding. Cell V. 174 672 2018.
ISSN: ISSN 1097-4172
PubMed: 30053426
DOI: 10.1016/J.CELL.2018.06.017