Atomistry » Magnesium » PDB 3umm-3v3z » 3v1x
Atomistry »
  Magnesium »
    PDB 3umm-3v3z »
      3v1x »

Magnesium in PDB 3v1x: Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluorogeranyl Diphosphate

Protein crystallography data

The structure of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluorogeranyl Diphosphate, PDB code: 3v1x 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) 46.38 / 1.96
Space group P 43 2 2
Cell size a, b, c (Å), α, β, γ (°) 99.635, 99.635, 104.811, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 21.9

Other elements in 3v1x:

The structure of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluorogeranyl 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-Fluorogeranyl Diphosphate (pdb code 3v1x). 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-Fluorogeranyl Diphosphate, PDB code: 3v1x:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3v1x

Go back to Magnesium Binding Sites List in 3v1x
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-Fluorogeranyl 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-Fluorogeranyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:31.8
occ:1.00
O2A A:0FV503 2.0 29.1 1.0
OE2 A:GLU353 2.1 30.3 1.0
O1B A:0FV503 2.2 30.4 1.0
OD1 A:ASN345 2.3 31.0 1.0
O A:HOH797 2.3 25.0 1.0
OG A:SER349 2.4 26.1 1.0
PA A:0FV503 3.1 28.7 1.0
CD A:GLU353 3.2 28.5 1.0
PB A:0FV503 3.2 34.4 1.0
CG A:ASN345 3.2 27.7 1.0
CB A:SER349 3.3 30.0 1.0
O3A A:0FV503 3.5 37.7 1.0
OE1 A:GLU353 3.5 27.8 1.0
ND2 A:ASN345 3.5 20.9 1.0
O A:HOH819 3.6 36.6 1.0
O1 A:0FV503 3.7 33.2 1.0
O A:HOH798 3.7 31.2 1.0
NH1 A:ARG300 4.0 23.5 1.0
O A:ASN345 4.0 20.3 1.0
O3B A:0FV503 4.1 29.2 1.0
O2B A:0FV503 4.3 32.8 1.0
O1A A:0FV503 4.4 35.3 1.0
C A:ASN345 4.4 22.0 1.0
CG A:GLU353 4.5 27.4 1.0
CB A:ASN345 4.6 18.8 1.0
C1 A:0FV503 4.7 33.7 1.0
N A:ASP346 4.7 19.6 1.0
CA A:SER349 4.7 16.8 1.0
O A:HOH657 4.8 28.9 1.0
CA A:ASP346 4.9 21.4 1.0

Magnesium binding site 2 out of 2 in 3v1x

Go back to Magnesium Binding Sites List in 3v1x
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-Fluorogeranyl 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-Fluorogeranyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:42.3
occ:0.50
O1A A:0FV503 2.0 35.3 1.0
O A:HOH737 2.3 36.3 1.0
O A:HOH800 2.3 30.5 1.0
O A:HOH799 2.4 35.5 1.0
O A:HOH839 2.5 40.1 0.5
O A:HOH801 2.5 33.8 1.0
PA A:0FV503 3.4 28.7 1.0
OD1 A:ASP197 3.7 75.4 1.0
O A:HOH802 3.8 46.1 1.0
O2A A:0FV503 3.9 29.1 1.0
O A:HOH798 4.0 31.2 1.0
O3A A:0FV503 4.3 37.7 1.0
O1 A:0FV503 4.4 33.2 1.0
F2 A:0FV503 4.4 45.4 1.0
OE1 A:GLU281 4.5 32.2 1.0
OE2 A:GLU281 4.5 33.0 1.0
CG A:ASP197 4.6 75.5 1.0
O A:HOH819 4.7 36.6 1.0
C2 A:0FV503 4.7 31.2 1.0
OD1 A:ASN303 4.8 19.0 1.0
CE1 A:HIS360 4.8 33.9 1.0
ND2 A:ASN303 4.9 19.2 1.0
CD A:GLU281 4.9 30.7 1.0

Reference:

M.Koksal, W.K.Chou, D.E.Cane, D.W.Christianson. Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor and Implications For the Cyclization of A Noncanonical C-Methylated Monoterpenoid Substrate. Biochemistry V. 51 3011 2012.
ISSN: ISSN 0006-2960
PubMed: 22455514
DOI: 10.1021/BI201827A
Page generated: Mon Dec 14 08:57:40 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy