Zinc in PDB 7oc6: Selenomethionine Derivative of Alpha-Humulene Synthase ASR6 From Sarocladium Schorii

All present enzymatic activity of Selenomethionine Derivative of Alpha-Humulene Synthase ASR6 From Sarocladium Schorii:
4.2.3.104;

The structure of Selenomethionine Derivative of Alpha-Humulene Synthase ASR6 From Sarocladium Schorii, PDB code: 7oc6 was solved by C.Schotte, P.Lukat, A.Deuschmann, W.Blankenfeldt, R.J.Cox, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.49 / 2.01
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.248, 59.117, 80.758, 90, 131.52, 90
R / Rfree (%)	16.5 / 19.5

The binding sites of Zinc atom in the Selenomethionine Derivative of Alpha-Humulene Synthase ASR6 From Sarocladium Schorii (pdb code 7oc6). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Selenomethionine Derivative of Alpha-Humulene Synthase ASR6 From Sarocladium Schorii, PDB code: 7oc6:

Zinc binding site 1 out of 1 in the Selenomethionine Derivative of Alpha-Humulene Synthase ASR6 From Sarocladium Schorii


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Selenomethionine Derivative of Alpha-Humulene Synthase ASR6 From Sarocladium Schorii within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1005 b:34.0 occ:1.00 NE2 A:HIS41 2.1 33.6 1.0 SG A:CYS87 2.2 35.8 1.0 SG A:CYS43 2.3 32.9 1.0 SG A:CYS85 2.3 33.6 1.0 HB2 A:CYS43 2.9 42.2 1.0 HB2 A:CYS87 2.9 45.9 1.0 CD2 A:HIS41 2.9 33.6 1.0 HD2 A:HIS41 3.0 40.4 1.0 HB2 A:CYS85 3.1 43.1 1.0 H A:CYS87 3.1 44.6 1.0 CB A:CYS87 3.2 38.2 1.0 CB A:CYS43 3.2 35.1 1.0 CE1 A:HIS41 3.2 38.2 1.0 CB A:CYS85 3.2 35.9 1.0 HA A:CYS85 3.2 39.7 1.0 HE1 A:HIS41 3.5 46.0 1.0 HB2 A:SER234 3.5 41.7 1.0 H A:CYS43 3.7 42.0 1.0 HB3 A:CYS43 3.7 42.2 1.0 CA A:CYS85 3.7 33.0 1.0 OG A:SER234 3.8 34.0 1.0 N A:CYS87 3.9 37.1 1.0 HB3 A:CYS87 3.9 45.9 1.0 HG A:SER234 4.0 41.0 1.0 CB A:SER234 4.0 34.7 1.0 HB3 A:CYS85 4.1 43.1 1.0 H A:THR86 4.1 42.6 1.0 CG A:HIS41 4.1 32.8 1.0 CA A:CYS87 4.1 35.1 1.0 HB3 A:SER234 4.2 41.7 1.0 ND1 A:HIS41 4.2 34.7 1.0 HZ A:PHE29 4.3 44.6 1.0 N A:CYS43 4.4 34.9 1.0 N A:THR86 4.4 35.4 1.0 CA A:CYS43 4.4 37.9 1.0 C A:CYS85 4.4 37.4 1.0 O A:HOH1128 4.4 36.4 1.0 HA A:CYS87 4.6 42.2 1.0 N A:CYS85 4.9 33.2 1.0 HA A:CYS43 5.0 45.6 1.0

C.Schotte, P.Lukat, A.Deuschmann, W.Blankenfeldt, R.J.Cox. Understanding and Engineering the Stereoselectivity of Humulene Synthase. Angew.Chem.Int.Ed.Engl. 2021.
ISSN: ESSN 1521-3773
PubMed: 34180566
DOI: 10.1002/ANIE.202106718