Zinc in PDB 4qhj: Crystal Structure of Methanocaldococcus Jannaschii Selecase Mutant I100F+H107F

The structure of Crystal Structure of Methanocaldococcus Jannaschii Selecase Mutant I100F+H107F, PDB code: 4qhj was solved by M.Lopez-Pelegrin, N.Cerda-Costa, A.Cintas-Pedrola, F.Herranz-Trillo, P.Bernado, J.R.Peinado, J.L.Arolas, F.X.Gomis-Ruth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.40 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.390, 49.840, 104.840, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 19.6

The binding sites of Zinc atom in the Crystal Structure of Methanocaldococcus Jannaschii Selecase Mutant I100F+H107F (pdb code 4qhj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Methanocaldococcus Jannaschii Selecase Mutant I100F+H107F, PDB code: 4qhj:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Methanocaldococcus Jannaschii Selecase Mutant I100F+H107F


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 Methanocaldococcus Jannaschii Selecase Mutant I100F+H107F within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:25.4 occ:1.00 NE2 A:HIS80 2.0 24.0 1.0 NE2 A:HIS73 2.0 26.4 1.0 O A:ACT202 2.0 26.7 1.0 NE2 A:HIS69 2.0 25.9 1.0 C A:ACT202 2.6 27.1 1.0 OXT A:ACT202 2.6 27.9 1.0 CE1 A:HIS73 3.0 26.8 1.0 CE1 A:HIS69 3.0 26.3 1.0 CE1 A:HIS80 3.0 23.4 1.0 CD2 A:HIS80 3.0 24.8 1.0 CD2 A:HIS73 3.1 26.3 1.0 CD2 A:HIS69 3.1 25.3 1.0 CH3 A:ACT202 4.1 29.4 1.0 ND1 A:HIS80 4.1 23.4 1.0 ND1 A:HIS73 4.1 27.3 1.0 ND1 A:HIS69 4.1 25.9 1.0 CG A:HIS80 4.1 22.7 1.0 CG A:HIS73 4.2 25.6 1.0 CD2 B:PHE100 4.2 31.3 1.0 CG A:HIS69 4.2 24.5 1.0 CZ A:PHE84 4.2 21.4 1.0 O A:HOH342 4.3 39.6 1.0 CG B:PHE100 4.4 31.1 1.0 CB B:PHE100 4.6 30.1 1.0 CE2 B:PHE100 4.7 34.6 1.0 CE2 A:PHE84 4.9 23.6 1.0 CE1 A:PHE84 4.9 23.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Methanocaldococcus Jannaschii Selecase Mutant I100F+H107F


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Methanocaldococcus Jannaschii Selecase Mutant I100F+H107F within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:34.7 occ:1.00 NE2 B:HIS80 1.9 35.4 1.0 NE2 B:HIS73 1.9 35.0 1.0 NE2 B:HIS69 2.0 32.0 1.0 OXT B:ACT202 2.2 42.9 1.0 O B:ACT202 2.5 38.9 1.0 C B:ACT202 2.6 40.8 1.0 CE1 B:HIS80 2.9 34.7 1.0 CD2 B:HIS73 2.9 34.4 1.0 CE1 B:HIS73 2.9 35.3 1.0 CE1 B:HIS69 2.9 31.9 1.0 CD2 B:HIS80 3.0 36.6 1.0 CD2 B:HIS69 3.1 30.8 1.0 C1 B:GOL204 3.9 93.2 1.0 ND1 B:HIS80 4.0 35.7 1.0 CG B:HIS73 4.1 33.4 1.0 ND1 B:HIS73 4.1 36.0 1.0 CZ B:PHE84 4.1 30.1 1.0 CG B:HIS80 4.1 35.4 1.0 ND1 B:HIS69 4.1 31.1 1.0 CH3 B:ACT202 4.2 41.8 1.0 CG B:HIS69 4.2 28.4 1.0 O B:HOH428 4.5 48.8 1.0 CD2 A:PHE100 4.6 45.9 1.0 O B:HOH399 4.6 55.4 1.0 CG A:PHE100 4.6 44.1 1.0 CE1 B:PHE84 4.6 31.6 1.0 CE2 A:PHE100 4.7 49.1 1.0 CD1 A:PHE100 4.7 49.5 1.0 C3 B:GOL204 4.7 92.8 1.0 O1 B:GOL204 4.8 93.5 1.0 CZ A:PHE100 4.8 48.0 1.0 CE1 A:PHE100 4.8 49.9 1.0 CE2 B:PHE84 4.8 32.7 1.0 C2 B:GOL204 4.9 93.0 1.0

M.Lopez-Pelegrin, N.Cerda-Costa, A.Cintas-Pedrola, F.Herranz-Trillo, P.Bernado, J.R.Peinado, J.L.Arolas, F.X.Gomis-Ruth. Multiple Stable Conformations Account For Reversible Concentration-Dependent Oligomerization and Autoinhibition of A Metamorphic Metallopeptidase Angew.Chem.Int.Ed.Engl. V. 53 10624 2014.
ISSN: ISSN 1433-7851
PubMed: 25159620
DOI: 10.1002/ANIE.201405727