Zinc in PDB 8a3n: Geissoschizine Synthase From Catharanthus Roseus - Binary Complex with Nadp+

All present enzymatic activity of Geissoschizine Synthase From Catharanthus Roseus - Binary Complex with Nadp+:
1.3.1.36;

The structure of Geissoschizine Synthase From Catharanthus Roseus - Binary Complex with Nadp+, PDB code: 8a3n was solved by C.Langley, E.Tatsis, B.Hong, Y.Nakamura, M.O.Kamileen, C.Paetz, C.E.M.Stevenson, J.Basquin, D.M.Lawson, L.Caputi, S.E.O'connor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.84 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.383, 100.969, 66.681, 90, 106.78, 90
R / Rfree (%)	20.5 / 23.2

The binding sites of Zinc atom in the Geissoschizine Synthase From Catharanthus Roseus - Binary Complex with Nadp+ (pdb code 8a3n). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Geissoschizine Synthase From Catharanthus Roseus - Binary Complex with Nadp+, PDB code: 8a3n:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Geissoschizine Synthase From Catharanthus Roseus - Binary Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Geissoschizine Synthase From Catharanthus Roseus - Binary Complex with Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:21.9 occ:1.00 NE2 A:HIS73 2.0 24.8 1.0 OE2 A:GLU74 2.0 22.6 1.0 SG A:CYS168 2.3 24.9 1.0 SG A:CYS51 2.3 22.5 1.0 CE1 A:HIS73 2.9 24.3 1.0 CD2 A:HIS73 3.0 23.1 1.0 CB A:CYS168 3.1 23.7 1.0 CD A:GLU74 3.1 21.8 1.0 CB A:CYS51 3.3 22.0 1.0 CG A:GLU74 3.6 20.8 1.0 NH1 A:ARG351 3.9 19.2 1.0 ND1 A:HIS73 4.0 23.8 1.0 CG A:HIS73 4.1 22.4 1.0 OE1 A:GLU74 4.2 23.1 1.0 NH2 A:ARG351 4.3 19.3 1.0 CZ A:ARG351 4.4 19.5 1.0 O A:HOH1138 4.4 23.2 1.0 CA A:CYS168 4.5 22.9 1.0 O A:HOH1242 4.5 39.5 1.0 OD2 A:ASP54 4.5 25.8 1.0 CA A:CYS51 4.6 22.1 1.0 O A:HOH1222 4.6 23.6 1.0 N A:CYS51 4.7 22.8 1.0 C5N A:NAP1000 4.9 27.8 1.0 CB A:PHE53 4.9 22.7 1.0

Zinc binding site 2 out of 4 in the Geissoschizine Synthase From Catharanthus Roseus - Binary Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Geissoschizine Synthase From Catharanthus Roseus - Binary Complex with Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:28.5 occ:1.00 SG A:CYS104 2.3 35.0 1.0 SG A:CYS118 2.3 30.3 1.0 SG A:CYS110 2.3 31.6 1.0 SG A:CYS107 2.3 31.4 1.0 CB A:CYS118 3.2 28.4 1.0 CB A:CYS104 3.4 33.7 1.0 CB A:CYS107 3.4 36.6 1.0 CB A:CYS110 3.4 34.3 1.0 N A:CYS104 3.7 29.5 1.0 N A:GLY105 3.7 34.3 1.0 N A:CYS107 3.8 38.7 1.0 CA A:CYS118 3.9 27.8 1.0 CA A:CYS104 3.9 32.4 1.0 CD A:PRO119 4.1 30.3 1.0 CA A:CYS107 4.2 38.4 1.0 C A:CYS104 4.2 33.8 1.0 N A:CYS110 4.3 32.5 1.0 N A:GLN106 4.4 41.0 1.0 CA A:CYS110 4.4 34.0 1.0 CB A:SER103 4.6 24.9 1.0 CA A:GLY105 4.7 35.9 1.0 OG A:SER103 4.7 25.2 1.0 N A:PRO119 4.7 29.2 1.0 C A:CYS118 4.7 28.0 1.0 C A:SER103 4.8 27.0 1.0 C A:CYS107 4.8 37.9 1.0 O A:CYS107 4.9 36.6 1.0

Zinc binding site 3 out of 4 in the Geissoschizine Synthase From Catharanthus Roseus - Binary Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Geissoschizine Synthase From Catharanthus Roseus - Binary Complex with Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1001 b:21.0 occ:1.00 NE2 B:HIS73 2.0 20.2 1.0 OE2 B:GLU74 2.0 21.0 1.0 SG B:CYS51 2.3 18.7 1.0 SG B:CYS168 2.3 22.6 1.0 CE1 B:HIS73 2.9 21.1 1.0 CD2 B:HIS73 3.0 20.4 1.0 CB B:CYS168 3.1 22.2 1.0 CD B:GLU74 3.1 20.5 1.0 CB B:CYS51 3.3 18.1 1.0 CG B:GLU74 3.6 19.9 1.0 NH1 B:ARG351 3.9 16.6 1.0 ND1 B:HIS73 4.1 20.2 1.0 CG B:HIS73 4.1 20.1 1.0 OE1 B:GLU74 4.2 21.1 1.0 NH2 B:ARG351 4.3 18.4 1.0 CZ B:ARG351 4.4 18.0 1.0 O B:HOH1220 4.5 16.9 1.0 O B:HOH1233 4.5 30.7 1.0 CA B:CYS168 4.5 21.9 1.0 OD2 B:ASP54 4.6 20.4 1.0 CA B:CYS51 4.6 18.3 1.0 O B:HOH1140 4.6 23.2 1.0 N B:CYS51 4.7 18.8 1.0 CB B:PHE53 4.8 21.7 1.0 C5N B:NAP1000 4.8 24.9 1.0

Zinc binding site 4 out of 4 in the Geissoschizine Synthase From Catharanthus Roseus - Binary Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Geissoschizine Synthase From Catharanthus Roseus - Binary Complex with Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1002 b:34.4 occ:1.00 SG B:CYS104 2.3 45.5 1.0 SG B:CYS107 2.3 46.6 1.0 SG B:CYS118 2.3 42.7 1.0 SG B:CYS110 2.3 42.1 1.0 CB B:CYS118 3.3 38.5 1.0 CB B:CYS107 3.4 49.6 1.0 CB B:CYS104 3.4 44.7 1.0 CB B:CYS110 3.4 45.5 1.0 N B:GLY105 3.6 44.4 1.0 N B:CYS104 3.7 39.2 1.0 N B:CYS107 3.8 51.4 1.0 CA B:CYS104 3.9 42.7 1.0 CA B:CYS118 3.9 37.4 1.0 CA B:CYS107 4.1 50.7 1.0 C B:CYS104 4.2 44.4 1.0 CD B:PRO119 4.2 41.9 1.0 N B:CYS110 4.3 43.9 1.0 N B:GLN106 4.4 50.9 1.0 CA B:CYS110 4.4 44.3 1.0 CB B:SER103 4.6 33.1 1.0 CA B:GLY105 4.6 46.2 1.0 OG B:SER103 4.7 33.5 1.0 C B:SER103 4.8 36.7 1.0 C B:CYS107 4.8 49.9 1.0 C B:CYS118 4.8 37.7 1.0 N B:PRO119 4.8 39.9 1.0 O B:CYS107 4.8 47.7 1.0 C B:GLY105 4.9 49.1 1.0 C B:GLN106 5.0 53.5 1.0

C.Langley, E.Tatsis, B.Hong, Y.Nakamura, C.Paetz, C.E.M.Stevenson, J.Basquin, D.M.Lawson, L.Caputi, S.E.O'connor. Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism. Angew.Chem.Int.Ed.Engl. V. 61 10934 2022.
ISSN: ESSN 1521-3773
PubMed: 36198083
DOI: 10.1002/ANIE.202210934