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Magnesium in PDB 4la6: Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluoroneryl Diphosphate

Enzymatic activity of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluoroneryl Diphosphate

All present enzymatic activity of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluoroneryl Diphosphate:
4.2.3.118;

Protein crystallography data

The structure of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluoroneryl Diphosphate, PDB code: 4la6 was solved by M.Koksal, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.46 / 2.00
Space group P 43 2 2
Cell size a, b, c (Å), α, β, γ (°) 99.462, 99.462, 105.079, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 20.1

Other elements in 4la6:

The structure of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluoroneryl Diphosphate also contains other interesting chemical elements:

Fluorine (F) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluoroneryl Diphosphate (pdb code 4la6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluoroneryl Diphosphate, PDB code: 4la6:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4la6

Go back to Magnesium Binding Sites List in 4la6
Magnesium binding site 1 out of 2 in the Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluoroneryl Diphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluoroneryl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:30.4
occ:1.00
 O2A A:LA6503 2.1 31.5 1.0
OD1 A:ASN345 2.1 25.5 1.0
O1B A:LA6503 2.2 32.5 1.0
OE2 A:GLU353 2.2 34.5 1.0
O A:HOH601 2.2 24.8 1.0
OG A:SER349 2.3 24.4 1.0
CG A:ASN345 3.1 30.0 1.0
CB A:SER349 3.2 28.7 1.0
CD A:GLU353 3.2 32.9 1.0
PA A:LA6503 3.3 31.3 1.0
PB A:LA6503 3.4 31.9 1.0
ND2 A:ASN345 3.6 27.1 1.0
OE1 A:GLU353 3.6 27.8 1.0
O1 A:LA6503 3.7 40.3 1.0
O A:HOH768 3.7 34.9 1.0
O3A A:LA6503 3.8 37.2 1.0
O A:ASN345 3.9 23.8 1.0
O A:HOH777 4.0 34.4 1.0
NH1 A:ARG300 4.0 23.5 1.0
C A:ASN345 4.2 22.8 1.0
O3B A:LA6503 4.3 32.8 1.0
CB A:ASN345 4.4 21.3 1.0
O2B A:LA6503 4.5 34.3 1.0
CG A:GLU353 4.5 30.8 1.0
O1A A:LA6503 4.5 35.9 1.0
N A:ASP346 4.5 21.9 1.0
CA A:SER349 4.5 19.1 1.0
CA A:ASP346 4.7 23.7 1.0
O A:HOH760 4.8 30.7 1.0
OD1 A:ASP346 4.9 26.1 1.0
CA A:ASN345 4.9 20.4 1.0
C A:SER349 4.9 23.4 1.0
O A:SER349 5.0 27.9 1.0

Magnesium binding site 2 out of 2 in 4la6

Go back to Magnesium Binding Sites List in 4la6
Magnesium binding site 2 out of 2 in the Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluoroneryl Diphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluoroneryl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:50.7
occ:1.00
 O1A A:LA6503 2.2 35.9 1.0
O A:HOH602 2.3 37.1 1.0
O A:HOH603 2.4 34.5 1.0
O A:HOH605 2.4 41.0 1.0
O A:HOH604 2.4 35.6 1.0
OD2 A:ASP197 2.4 40.5 1.0
CG A:ASP197 3.2 64.7 1.0
OD1 A:ASP197 3.2 39.6 1.0
O A:HOH718 3.6 44.5 1.0
PA A:LA6503 3.7 31.3 1.0
O2A A:LA6503 4.2 31.5 1.0
OE1 A:GLU281 4.3 36.0 1.0
O A:HOH768 4.3 34.9 1.0
O3A A:LA6503 4.4 37.2 1.0
OE2 A:GLU281 4.4 35.0 1.0
C5 A:LA6503 4.5 38.3 1.0
CB A:ASP197 4.7 31.3 1.0
O1 A:LA6503 4.7 40.3 1.0
OD1 A:ASN303 4.8 24.0 1.0
CD A:GLU281 4.8 32.9 1.0
O A:HOH777 4.8 34.4 1.0
ND2 A:ASN303 4.8 25.6 1.0
C1 A:LA6503 4.9 27.4 1.0
CE1 A:HIS360 4.9 38.6 1.0
OE1 A:GLU202 5.0 80.0 1.0
CE1 A:TYR278 5.0 30.1 1.0

Reference:

M.Koksal, W.K.Chou, D.E.Cane, D.W.Christianson. Unexpected Reactivity of 2-Fluorolinalyl Diphosphate in the Active Site of Crystalline 2-Methylisoborneol Synthase. Biochemistry V. 52 5247 2013.
ISSN: ISSN 0006-2960
PubMed: 23844678
DOI: 10.1021/BI400797C
Page generated: Sat Aug 17 04:52:06 2024

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