Zinc in PDB 2aq2: Crystal Structure of T-Cell Receptor V Beta Domain Variant Complexed with Superantigen SEC3 Mutant

The structure of Crystal Structure of T-Cell Receptor V Beta Domain Variant Complexed with Superantigen SEC3 Mutant, PDB code: 2aq2 was solved by S.Cho, C.P.Swaminathan, J.Yang, M.C.Kerzic, R.Guan, M.C.Kieke, D.M.Kranz, R.A.Mariuzza, E.J.Sundberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.80
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	96.537, 96.537, 92.182, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 21.3

The structure of Crystal Structure of T-Cell Receptor V Beta Domain Variant Complexed with Superantigen SEC3 Mutant also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Zinc atom in the Crystal Structure of T-Cell Receptor V Beta Domain Variant Complexed with Superantigen SEC3 Mutant (pdb code 2aq2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of T-Cell Receptor V Beta Domain Variant Complexed with Superantigen SEC3 Mutant, PDB code: 2aq2:

Zinc binding site 1 out of 1 in the Crystal Structure of T-Cell Receptor V Beta Domain Variant Complexed with Superantigen SEC3 Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of T-Cell Receptor V Beta Domain Variant Complexed with Superantigen SEC3 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1001 b:54.1 occ:1.00 NE2 B:HIS120 1.9 36.9 1.0 ND1 B:HIS116 2.1 32.9 1.0 OD2 B:ASP83 2.2 23.5 1.0 CE1 B:HIS116 2.7 34.7 1.0 OD1 B:ASP83 2.7 22.2 1.0 CG B:ASP83 2.7 20.6 1.0 CE1 B:HIS120 2.8 38.3 1.0 CD2 B:HIS120 2.9 36.8 1.0 CG B:HIS116 3.1 31.2 1.0 NE2 B:HIS116 3.7 33.6 1.0 CB B:HIS116 3.8 26.8 1.0 CA B:HIS116 3.9 26.6 1.0 ND1 B:HIS120 3.9 38.3 1.0 CG B:HIS120 4.0 37.5 1.0 CD2 B:HIS116 4.0 33.6 1.0 O B:HIS116 4.0 26.8 1.0 CG2 B:THR36 4.0 30.2 1.0 O B:HOH1014 4.2 22.9 1.0 CB B:ASP83 4.2 17.8 1.0 C B:HIS116 4.3 27.5 1.0 N B:LYS37 5.0 25.4 1.0

S.Cho, C.P.Swaminathan, J.Yang, M.C.Kerzic, R.Guan, M.C.Kieke, D.M.Kranz, R.A.Mariuzza, E.J.Sundberg. Structural Basis of Affinity Maturation and Intramolecular Cooperativity in A Protein-Protein Interaction. Structure V. 13 1775 2005.
ISSN: ISSN 0969-2126
PubMed: 16338399
DOI: 10.1016/J.STR.2005.08.015