Zinc in PDB 5h83: Heteroyohimbine Synthase Hys From Catharanthus Roseus - Apo Form

The structure of Heteroyohimbine Synthase Hys From Catharanthus Roseus - Apo Form, PDB code: 5h83 was solved by A.Stavrinides, E.C.Tatsis, L.Caputi, E.Foureau, C.E.M.Stevenson, D.M.Lawson, V.Courdavault, S.E.O'connor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.32 / 2.25
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	188.630, 188.630, 58.950, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 22.4

The binding sites of Zinc atom in the Heteroyohimbine Synthase Hys From Catharanthus Roseus - Apo Form (pdb code 5h83). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Heteroyohimbine Synthase Hys From Catharanthus Roseus - Apo Form, PDB code: 5h83:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Heteroyohimbine Synthase Hys From Catharanthus Roseus - Apo Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Heteroyohimbine Synthase Hys From Catharanthus Roseus - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn901 b:33.2 occ:1.00 NE2 A:HIS73 2.0 36.1 1.0 OE2 A:GLU74 2.0 34.4 1.0 SG A:CYS51 2.3 35.8 1.0 SG A:CYS163 2.3 33.4 1.0 CE1 A:HIS73 2.9 35.1 1.0 CD A:GLU74 3.0 35.1 1.0 CD2 A:HIS73 3.0 32.6 1.0 CB A:CYS163 3.2 29.4 1.0 CB A:CYS51 3.4 35.9 1.0 CG A:GLU74 3.6 30.1 1.0 NH1 A:ARG345 3.8 36.4 1.0 OE1 A:GLU74 4.0 36.0 1.0 ND1 A:HIS73 4.0 36.4 1.0 CG A:HIS73 4.1 33.6 1.0 N A:CYS51 4.5 35.5 1.0 CZ A:ARG345 4.6 51.8 1.0 CA A:CYS51 4.6 36.8 1.0 C A:THR50 4.6 35.5 1.0 CA A:CYS163 4.7 29.7 1.0 NH2 A:ARG345 4.7 61.0 1.0 CB A:GLU74 4.8 31.9 1.0 O A:THR50 4.9 36.5 1.0 CA A:THR50 4.9 33.7 1.0 O A:HOH1011 5.0 25.5 1.0

Zinc binding site 2 out of 4 in the Heteroyohimbine Synthase Hys From Catharanthus Roseus - Apo Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Heteroyohimbine Synthase Hys From Catharanthus Roseus - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn902 b:45.0 occ:1.00 SG A:CYS118 2.3 42.1 1.0 SG A:CYS110 2.3 44.4 1.0 SG A:CYS107 2.3 53.1 1.0 SG A:CYS104 2.4 47.9 1.0 CB A:CYS118 3.3 45.1 1.0 CB A:CYS107 3.4 47.6 1.0 CB A:CYS110 3.4 48.9 1.0 CB A:CYS104 3.4 48.6 1.0 N A:CYS104 3.7 41.4 1.0 N A:CYS107 3.7 49.6 1.0 N A:GLU105 3.8 48.0 1.0 CA A:CYS104 3.9 47.8 1.0 CA A:CYS107 4.1 50.4 1.0 N A:CYS110 4.1 52.1 1.0 CA A:CYS118 4.2 43.3 1.0 C A:CYS104 4.2 48.0 1.0 O A:HOH1034 4.3 52.0 1.0 N A:LYS106 4.3 43.8 1.0 CA A:CYS110 4.4 48.1 1.0 C A:CYS107 4.7 50.5 1.0 CB A:ALA103 4.8 43.2 1.0 CA A:GLU105 4.8 46.8 1.0 C A:ALA103 4.8 45.6 1.0 O A:CYS107 4.8 51.4 1.0 C A:LYS106 4.9 50.2 1.0 C A:GLU105 5.0 46.1 1.0

Zinc binding site 3 out of 4 in the Heteroyohimbine Synthase Hys From Catharanthus Roseus - Apo Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Heteroyohimbine Synthase Hys From Catharanthus Roseus - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn901 b:49.9 occ:1.00 OE2 B:GLU74 2.0 59.0 1.0 NE2 B:HIS73 2.1 62.9 1.0 SG B:CYS51 2.3 46.1 1.0 SG B:CYS163 2.3 52.2 1.0 CE1 B:HIS73 3.0 62.9 1.0 CD2 B:HIS73 3.0 56.7 1.0 CD B:GLU74 3.1 49.3 1.0 CB B:CYS163 3.3 50.9 1.0 CB B:CYS51 3.4 46.2 1.0 CG B:GLU74 3.8 48.8 1.0 NH1 B:ARG345 3.9 49.9 1.0 OE1 B:GLU74 4.1 51.0 1.0 ND1 B:HIS73 4.1 62.3 1.0 CG B:HIS73 4.1 59.5 1.0 N B:CYS51 4.5 44.3 1.0 CA B:CYS51 4.5 45.4 1.0 C B:THR50 4.6 43.7 1.0 CA B:CYS163 4.7 48.3 1.0 O B:HOH1008 4.7 44.0 1.0 CZ B:ARG345 4.8 58.6 1.0 CB B:GLU74 4.9 49.7 1.0 O B:THR50 4.9 44.2 1.0 CA B:THR50 4.9 43.0 1.0

Zinc binding site 4 out of 4 in the Heteroyohimbine Synthase Hys From Catharanthus Roseus - Apo Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Heteroyohimbine Synthase Hys From Catharanthus Roseus - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn902 b:79.5 occ:1.00 SG B:CYS118 2.3 78.2 1.0 SG B:CYS107 2.4 0.1 1.0 SG B:CYS110 2.4 91.6 1.0 SG B:CYS104 2.4 0.4 1.0 CB B:CYS118 3.3 80.5 1.0 CB B:CYS107 3.4 0.5 1.0 CB B:CYS104 3.5 0.4 1.0 CB B:CYS110 3.5 92.5 1.0 N B:CYS104 3.9 92.6 1.0 N B:GLU105 3.9 96.1 1.0 CA B:CYS104 4.0 94.2 1.0 N B:CYS107 4.1 0.1 1.0 N B:CYS110 4.2 89.7 1.0 CA B:CYS118 4.2 76.7 1.0 CA B:CYS107 4.3 0.3 1.0 C B:CYS104 4.3 98.4 1.0 CA B:CYS110 4.4 90.5 1.0 CB B:ALA103 4.7 86.4 1.0 N B:LYS106 4.8 0.2 1.0 CA B:GLU105 4.8 93.8 1.0 C B:CYS107 4.9 0.3 1.0 C B:GLU105 5.0 95.2 1.0 C B:ALA103 5.0 90.8 1.0

A.Stavrinides, E.C.Tatsis, L.Caputi, E.Foureau, C.E.Stevenson, D.M.Lawson, V.Courdavault, S.E.O'connor. Structural Investigation of Heteroyohimbine Alkaloid Synthesis Reveals Active Site Elements That Control Stereoselectivity. Nat Commun V. 7 12116 2016.
ISSN: ESSN 2041-1723
PubMed: 27418042
DOI: 10.1038/NCOMMS12116