Magnesium in PDB 8su5: F198T Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation

Enzymatic activity of F198T Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation

All present enzymatic activity of F198T Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation:
4.2.3.37;

Protein crystallography data

The structure of F198T Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation, PDB code: 8su5 was solved by S.A.Eaton, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.33 / 1.48
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 53.261, 47.238, 75.154, 90, 95.39, 90
R / Rfree (%) 16.8 / 17.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the F198T Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation (pdb code 8su5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the F198T Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation, PDB code: 8su5:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 8su5

Go back to Magnesium Binding Sites List in 8su5
Magnesium binding site 1 out of 3 in the F198T Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of F198T Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg404

b:14.4
occ:1.00
 O A:HOH503 2.0 15.8 1.0
O5 A:POP407 2.1 14.1 1.0
OD1 A:ASP99 2.1 14.3 1.0
O A:HOH574 2.1 15.7 1.0
O A:HOH581 2.1 15.8 1.0
O A:HOH584 2.1 15.1 1.0
CG A:ASP99 3.0 13.6 1.0
MG A:MG405 3.2 14.1 1.0
P2 A:POP407 3.3 12.6 1.0
OD2 A:ASP99 3.3 13.3 1.0
O6 A:POP407 3.6 13.6 1.0
O A:HOH625 3.9 15.7 1.0
OH A:TYR172 3.9 23.4 1.0
OE1 A:GLU175 4.0 25.0 1.0
O A:HOH572 4.1 20.0 1.0
O4 A:POP407 4.1 14.1 1.0
O A:HOH528 4.2 15.3 1.0
OE2 A:GLU175 4.2 19.4 1.0
CE2 A:TYR172 4.2 21.0 1.0
CZ A:TYR172 4.3 15.5 1.0
O A:HOH661 4.4 21.9 1.0
OE1 A:GLU253 4.4 24.7 1.0
O A:POP407 4.4 14.8 1.0
CB A:ASP99 4.4 11.8 1.0
CD A:GLU175 4.6 20.4 1.0
O3 A:POP407 4.8 12.7 1.0
O A:HOH619 4.8 16.5 1.0
C5 A:BTM401 4.9 20.4 0.7

Magnesium binding site 2 out of 3 in 8su5

Go back to Magnesium Binding Sites List in 8su5
Magnesium binding site 2 out of 3 in the F198T Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of F198T Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg405

b:14.1
occ:1.00
 O A:HOH619 2.0 16.5 1.0
OD2 A:ASP99 2.0 13.3 1.0
O3 A:POP407 2.1 12.7 1.0
O A:HOH528 2.1 15.3 1.0
O5 A:POP407 2.2 14.1 1.0
O A:HOH584 2.2 15.1 1.0
CG A:ASP99 3.1 13.6 1.0
MG A:MG404 3.2 14.4 1.0
P1 A:POP407 3.3 12.7 1.0
P2 A:POP407 3.3 12.6 1.0
OD1 A:ASP99 3.4 14.3 1.0
O A:POP407 3.4 14.8 1.0
NZ A:LYS247 3.8 15.1 1.0
NH2 A:ARG338 3.8 15.2 1.0
O4 A:POP407 3.9 14.1 1.0
O A:HOH614 3.9 19.3 1.0
O1 A:POP407 4.1 13.2 1.0
OE1 A:GLU253 4.2 24.7 1.0
O A:HOH625 4.2 15.7 1.0
O A:HOH574 4.2 15.7 1.0
OE2 A:GLU248 4.3 16.5 1.0
O A:HOH524 4.4 18.6 1.0
O2 A:POP407 4.4 13.1 1.0
CB A:ASP99 4.4 11.8 1.0
O A:HOH572 4.5 20.0 1.0
O6 A:POP407 4.5 13.6 1.0
C5 A:BTM401 4.7 20.4 0.7
O A:HOH651 4.7 20.6 1.0
O A:HOH503 4.8 15.8 1.0
O A:HOH581 4.8 15.8 1.0
MG A:MG406 4.9 13.8 1.0
CE A:LYS247 5.0 16.0 1.0

Magnesium binding site 3 out of 3 in 8su5

Go back to Magnesium Binding Sites List in 8su5
Magnesium binding site 3 out of 3 in the F198T Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of F198T Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg406

b:13.8
occ:1.00
 OD1 A:ASN240 2.0 13.4 1.0
O A:HOH567 2.0 13.3 1.0
O4 A:POP407 2.1 14.1 1.0
OE2 A:GLU248 2.1 16.5 1.0
O1 A:POP407 2.2 13.2 1.0
OG A:SER244 2.2 14.8 1.0
CG A:ASN240 3.0 13.2 1.0
CD A:GLU248 3.1 16.6 1.0
CB A:SER244 3.3 14.9 1.0
P2 A:POP407 3.3 12.6 1.0
P1 A:POP407 3.3 12.7 1.0
ND2 A:ASN240 3.4 14.0 1.0
O A:POP407 3.4 14.8 1.0
OE1 A:GLU248 3.5 18.4 1.0
O A:HOH572 3.8 20.0 1.0
NH2 A:ARG194 3.8 17.2 1.0
O A:HOH528 4.0 15.3 1.0
O A:ASN240 4.1 14.7 1.0
O3 A:POP407 4.1 12.7 1.0
O5 A:POP407 4.2 14.1 1.0
CG A:GLU248 4.4 17.1 1.0
O6 A:POP407 4.4 13.6 1.0
CB A:ASN240 4.4 11.2 1.0
C A:ASN240 4.4 14.5 1.0
OD1 A:ASP241 4.4 15.2 1.0
O2 A:POP407 4.5 13.1 1.0
CA A:SER244 4.7 16.4 1.0
N A:ASP241 4.7 13.5 1.0
CA A:ASP241 4.8 13.3 1.0
CZ A:ARG194 4.9 17.4 1.0
MG A:MG405 4.9 14.1 1.0

Reference:

S.A.Eaton, D.W.Christianson. Reprogramming the Cyclization Cascade of Epi-Isozizaene Synthase to Generate Alternative Terpene Products. Biochemistry 2023.
ISSN: ISSN 0006-2960
PubMed: 37449555
DOI: 10.1021/ACS.BIOCHEM.3C00247
Page generated: Fri Oct 4 20:13:52 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy