Gold in PDB 4xi2: Crystal Structure of An Auto-Inhibited Form of Bruton'S Tryrosine Kinase

All present enzymatic activity of Crystal Structure of An Auto-Inhibited Form of Bruton'S Tryrosine Kinase:
2.7.10.2;

The structure of Crystal Structure of An Auto-Inhibited Form of Bruton'S Tryrosine Kinase, PDB code: 4xi2 was solved by E.M.Vogan, S.C.Harrison, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.27 / 2.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	132.202, 132.202, 107.632, 90.00, 90.00, 120.00
R / Rfree (%)	23 / 24.8

The binding sites of Gold atom in the Crystal Structure of An Auto-Inhibited Form of Bruton'S Tryrosine Kinase (pdb code 4xi2). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total 2 binding sites of Gold where determined in the Crystal Structure of An Auto-Inhibited Form of Bruton'S Tryrosine Kinase, PDB code: 4xi2:
Jump to Gold binding site number: 1; 2;

Gold binding site 1 out of 2 in the Crystal Structure of An Auto-Inhibited Form of Bruton'S Tryrosine Kinase


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of Crystal Structure of An Auto-Inhibited Form of Bruton'S Tryrosine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Au701 b:0.3 occ:0.88 HB3 A:PRO399 2.3 0.2 1.0 HD1 A:PHE471 2.5 1.0 1.0 SG A:CYS464 2.9 0.2 1.0 CD1 A:PHE471 3.2 97.5 1.0 CB A:PRO399 3.2 0.3 1.0 HG3 A:PRO399 3.2 0.9 1.0 HG2 A:GLN467 3.3 0.8 1.0 HB3 A:GLN467 3.4 0.8 1.0 HB2 A:PHE471 3.4 0.5 1.0 HD12 A:LEU402 3.4 0.6 1.0 HD3 A:PRO399 3.5 0.1 1.0 HE21 A:GLN467 3.6 0.8 1.0 CG A:PRO399 3.7 0.6 1.0 HB2 A:PRO399 3.8 0.2 1.0 HA A:PRO399 3.9 0.2 1.0 HE1 A:PHE471 3.9 0.8 1.0 CG A:PHE471 4.0 0.3 1.0 CE1 A:PHE471 4.0 0.7 1.0 CB A:PHE471 4.0 0.1 1.0 CG A:GLN467 4.0 0.1 1.0 CB A:GLN467 4.0 1.0 1.0 HB3 A:PHE471 4.1 0.5 1.0 CD A:PRO399 4.1 0.8 1.0 CA A:PRO399 4.1 0.7 1.0 CD1 A:LEU402 4.1 0.0 1.0 HB2 A:CYS464 4.2 0.2 1.0 CB A:CYS464 4.2 0.7 1.0 HB2 A:GLN467 4.2 0.8 1.0 HD13 A:LEU402 4.2 0.6 1.0 NE2 A:GLN467 4.3 0.3 1.0 HD11 A:LEU402 4.3 0.6 1.0 HB3 A:CYS464 4.4 0.2 1.0 HZ A:PHE404 4.4 0.1 1.0 HD11 A:ILE473 4.5 0.9 1.0 HG2 A:PRO399 4.6 0.9 1.0 N A:PRO399 4.6 0.3 1.0 CD A:GLN467 4.6 0.2 1.0 HG3 A:GLN467 4.8 0.8 1.0 HE1 A:PHE404 4.9 0.4 1.0 HE22 A:GLN467 4.9 0.8 1.0 HD2 A:PRO399 4.9 0.1 1.0

Gold binding site 2 out of 2 in the Crystal Structure of An Auto-Inhibited Form of Bruton'S Tryrosine Kinase


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 2 of Crystal Structure of An Auto-Inhibited Form of Bruton'S Tryrosine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Au702 b:0.3 occ:0.94 HE1 A:PHE601 3.3 66.9 1.0 HD11 A:LEU614 3.5 86.5 1.0 HD2 A:TYR617 3.6 58.4 1.0 HD3 A:ARG600 3.6 0.8 1.0 HD21 A:LEU614 4.0 0.9 1.0 HE2 A:TYR617 4.0 58.2 1.0 HA A:TYR598 4.1 61.6 1.0 CE1 A:PHE601 4.2 55.7 1.0 CD2 A:TYR617 4.4 48.6 1.0 HG2 A:ARG600 4.4 0.6 1.0 CD A:ARG600 4.5 89.8 1.0 CD1 A:LEU614 4.5 72.1 1.0 HD1 A:TYR598 4.5 65.3 1.0 CE2 A:TYR617 4.6 48.5 1.0 HD2 A:ARG600 4.6 0.8 1.0 HD1 A:PHE601 4.7 75.3 1.0 HD13 A:LEU614 4.8 86.5 1.0 CG A:ARG600 4.9 0.8 1.0 H A:TYR617 4.9 68.7 1.0 HD23 A:LEU616 4.9 74.0 1.0 CD2 A:LEU614 4.9 85.8 1.0 CD1 A:PHE601 4.9 62.7 1.0 HZ A:PHE601 4.9 80.0 1.0 HA A:LEU616 5.0 59.7 1.0 HD12 A:LEU614 5.0 86.5 1.0 HG3 A:ARG600 5.0 0.6 1.0

Q.Wang, E.M.Vogan, L.M.Nocka, C.E.Rosen, S.C.Harrison, J.Kuriyan. Autoinhibition of Bruton'S Tyrosine Kinase (Btk) and Activation By Soluble Inositol Hexakisphosphate To Be Published.