Zinc in PDB 5fmi: Human Bak Q77L

The structure of Human Bak Q77L, PDB code: 5fmi was solved by W.D.Fairlie, E.F.Lee, B.J.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.187 / 1.49
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	58.024, 54.528, 58.716, 90.00, 115.50, 90.00
R / Rfree (%)	18.55 / 21.15

The binding sites of Zinc atom in the Human Bak Q77L (pdb code 5fmi). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Human Bak Q77L, PDB code: 5fmi:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Human Bak Q77L


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Bak Q77L within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1185 b:18.0 occ:0.49 OD1 A:ASP160 2.0 19.6 1.0 NE2 A:HIS164 2.2 17.2 1.0 CG A:ASP160 2.9 18.5 1.0 OD2 A:ASP160 3.1 19.8 1.0 CD2 A:HIS164 3.2 16.3 1.0 CE1 A:HIS164 3.2 24.1 1.0 O A:HOH2119 3.7 35.0 1.0 ND1 A:HIS164 4.3 26.7 1.0 CB A:ASP160 4.3 12.9 1.0 CG A:HIS164 4.3 19.8 1.0 CD2 A:LEU163 4.4 27.5 1.0 CA A:ASP160 4.8 13.8 1.0

Zinc binding site 2 out of 3 in the Human Bak Q77L


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human Bak Q77L within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1186 b:38.3 occ:0.37 ND1 A:HIS99 1.8 49.3 1.0 O A:HOH2083 2.5 31.4 1.0 CE1 A:HIS99 2.8 54.9 1.0 CG A:HIS99 2.9 50.5 1.0 CB A:HIS99 3.3 41.4 1.0 NE2 A:HIS99 3.9 56.9 1.0 CD2 A:HIS99 3.9 54.9 1.0 CA A:HIS99 4.0 37.4 1.0 O A:HOH2082 4.3 42.2 1.0 N A:HIS99 4.4 33.2 1.0 O A:GLN98 4.4 44.5 1.0 C A:GLN98 4.6 37.5 1.0

Zinc binding site 3 out of 3 in the Human Bak Q77L


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Human Bak Q77L within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1187 b:17.5 occ:0.47 OE2 A:GLU50 1.9 21.4 1.0 O A:HOH2036 2.0 31.1 1.0 OE2 A:GLU46 2.0 24.0 1.0 O A:HOH2037 2.0 27.4 1.0 CD A:GLU50 2.5 22.1 1.0 OE1 A:GLU50 2.6 20.0 1.0 CD A:GLU46 3.0 21.8 1.0 O A:HOH2081 3.3 40.2 1.0 CG A:GLU46 3.5 15.7 1.0 NH2 A:ARG137 4.0 24.8 1.0 CG A:GLU50 4.0 20.9 1.0 O A:HOH2045 4.1 35.3 1.0 OE1 A:GLU46 4.1 21.5 1.0 O A:HOH2020 4.2 37.2 1.0 CD A:PRO55 4.3 21.7 1.0 NH1 A:ARG137 4.4 23.6 1.0 CZ A:ARG137 4.7 24.4 1.0 CB A:GLU46 4.9 15.8 1.0 CG A:PRO55 4.9 29.8 1.0

E.F.Lee, S.Grabow, S.Chappaz, G.Dewson, C.Hockings, R.M.Kluck, D.H.Gray, M.T.Witkowski, M.Evangelista, A.Pettikiriarachchi, P.Bouillet, R.M.Lane, P.E.Czabotar, P.M.Colman, B.J.Smith, B.T.Kile, W.D.Fairlie. Physiological Restraint of Bak By Bcl-Xl Is Essential For Cell Survival. Genes Dev. V. 30 1240 2016.
ISSN: ISSN 0890-9369
PubMed: 27198225
DOI: 10.1101/GAD.279414.116