Magnesium in PDB 8v3k: F95S-F198S Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation

Enzymatic activity of F95S-F198S Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation

All present enzymatic activity of F95S-F198S Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation:
4.2.3.37;

Protein crystallography data

The structure of F95S-F198S Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation, PDB code: 8v3k was solved by D.W.Christianson, S.A.Eaton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.33 / 1.47
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 53.11, 47.098, 75.312, 90, 95.35, 90
R / Rfree (%) 17.1 / 19.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the F95S-F198S Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation (pdb code 8v3k). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the F95S-F198S Epi-Isozizaene Synthase: Complex with 3 MG2+, Inorganic Pyrophosphate, and Benzyl Triethyl Ammonium Cation, PDB code: 8v3k:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 8v3k

Go back to Magnesium Binding Sites List in 8v3k
Magnesium binding site 1 out of 3 in the F95S-F198S 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 F95S-F198S 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:Mg402

b:14.3
occ:1.00
 O1 A:DPO405 2.0 13.7 1.0
O7 A:DPO405 2.0 13.5 1.0
OD2 A:ASP99 2.0 14.3 1.0
O A:HOH661 2.1 16.1 1.0
O A:HOH511 2.1 14.9 1.0
O A:HOH556 2.1 15.5 1.0
CG A:ASP99 3.0 14.6 1.0
MG A:MG403 3.1 13.7 1.0
P2 A:DPO405 3.2 12.6 1.0
P1 A:DPO405 3.3 12.7 1.0
OD1 A:ASP99 3.3 15.1 1.0
O4 A:DPO405 3.5 13.0 1.0
NZ A:LYS247 3.8 16.1 1.0
O5 A:DPO405 3.8 14.2 1.0
NH2 A:ARG338 3.9 14.9 1.0
O A:HOH621 4.0 17.4 1.0
O3 A:DPO405 4.1 13.0 1.0
O A:HOH639 4.1 15.8 1.0
O A:HOH570 4.2 15.6 1.0
OE2 A:GLU248 4.3 17.4 1.0
OE1 A:GLU253 4.3 25.6 1.0
O A:HOH588 4.4 17.6 1.0
CB A:ASP99 4.4 11.6 1.0
O2 A:DPO405 4.4 13.7 1.0
O6 A:DPO405 4.5 12.4 1.0
O A:HOH516 4.5 18.3 1.0
O A:HOH551 4.6 14.7 1.0
O A:HOH503 4.8 15.8 1.0
O A:HOH694 4.8 18.1 1.0
MG A:MG404 4.8 13.7 1.0
CE A:LYS247 5.0 18.8 1.0
C3 A:BTM406 5.0 18.9 0.7

Magnesium binding site 2 out of 3 in 8v3k

Go back to Magnesium Binding Sites List in 8v3k
Magnesium binding site 2 out of 3 in the F95S-F198S 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 F95S-F198S 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:Mg403

b:13.7
occ:1.00
 O A:HOH511 2.0 14.9 1.0
O A:HOH551 2.0 14.7 1.0
O A:HOH503 2.0 15.8 1.0
O A:HOH570 2.1 15.6 1.0
OD1 A:ASP99 2.1 15.1 1.0
O7 A:DPO405 2.1 13.5 1.0
CG A:ASP99 3.1 14.6 1.0
MG A:MG402 3.1 14.3 1.0
P2 A:DPO405 3.3 12.6 1.0
OD2 A:ASP99 3.4 14.3 1.0
O6 A:DPO405 3.6 12.4 1.0
O A:HOH639 3.9 15.8 1.0
OH A:TYR172 3.9 17.6 1.0
OE1 A:GLU175 4.1 21.0 1.0
O A:HOH588 4.1 17.6 1.0
CZ A:TYR172 4.2 14.9 1.0
O5 A:DPO405 4.2 14.2 1.0
O A:HOH556 4.2 15.5 1.0
OE2 A:GLU175 4.3 18.4 1.0
O A:HOH581 4.4 21.3 1.0
CB A:ASP99 4.4 11.6 1.0
CE2 A:TYR172 4.5 16.1 1.0
O4 A:DPO405 4.5 13.0 1.0
CD A:GLU175 4.6 19.1 1.0
OE1 A:GLU253 4.6 25.6 1.0
O1 A:DPO405 4.7 13.7 1.0
O A:HOH661 4.8 16.1 1.0
CE1 A:TYR172 4.8 13.0 1.0
C3 A:BTM406 4.9 18.9 0.7

Magnesium binding site 3 out of 3 in 8v3k

Go back to Magnesium Binding Sites List in 8v3k
Magnesium binding site 3 out of 3 in the F95S-F198S 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 F95S-F198S 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:13.7
occ:1.00
 O A:HOH533 2.0 15.2 1.0
O3 A:DPO405 2.0 13.0 1.0
OD1 A:ASN240 2.1 14.4 1.0
OE2 A:GLU248 2.1 17.4 1.0
O5 A:DPO405 2.1 14.2 1.0
OG A:SER244 2.2 15.5 1.0
CD A:GLU248 3.1 17.0 1.0
CG A:ASN240 3.1 13.4 1.0
CB A:SER244 3.2 14.4 1.0
P1 A:DPO405 3.3 12.7 1.0
P2 A:DPO405 3.3 12.6 1.0
ND2 A:ASN240 3.4 14.3 1.0
O4 A:DPO405 3.4 13.0 1.0
OE1 A:GLU248 3.5 17.0 1.0
NH2 A:ARG194 3.8 15.0 1.0
O A:HOH588 3.8 17.6 1.0
O1 A:DPO405 4.0 13.7 1.0
O A:HOH556 4.0 15.5 1.0
O A:ASN240 4.1 15.1 1.0
O7 A:DPO405 4.2 13.5 1.0
CG A:GLU248 4.3 17.3 1.0
O6 A:DPO405 4.3 12.4 1.0
C A:ASN240 4.4 14.4 1.0
CB A:ASN240 4.4 12.3 1.0
OD1 A:ASP241 4.4 15.7 1.0
O2 A:DPO405 4.4 13.7 1.0
CA A:SER244 4.6 15.9 1.0
N A:ASP241 4.7 14.3 1.0
CA A:ASP241 4.7 14.0 1.0
MG A:MG402 4.8 14.3 1.0
CZ A:ARG194 4.9 14.2 1.0
CE A:LYS247 5.0 18.8 1.0

Reference:

S.A.Eaton, D.W.Christianson. Structure-Based Engineering of A Terpene Cyclase to Generate A Sesquiterpene Alcohol: Conversion of Epi-Isozizaene Synthase Into An A-Bisabolol Synthase To Be Published.
Page generated: Fri Oct 4 21:58:24 2024

Last articles

Fe in 9FMU
Fe in 9FHB
Fe in 9FBK
Fe in 9EBR
Fe in 9CU2
Fe in 9CU1
Fe in 9CU0
Fe in 9CJE
Fe in 9CJB
Fe in 9CJF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy