Atomistry » Magnesium » PDB 3fzn-3g8c » 3g4f
Atomistry »
  Magnesium »
    PDB 3fzn-3g8c »
      3g4f »

Magnesium in PDB 3g4f: Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate

Enzymatic activity of Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate

All present enzymatic activity of Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate:
4.2.3.13;

Protein crystallography data

The structure of Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate, PDB code: 3g4f was solved by H.A.Gennadios, L.Di Costanzo, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.70 / 2.65
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 158.195, 158.195, 158.195, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 25.6

Other elements in 3g4f:

The structure of Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate (pdb code 3g4f). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate, PDB code: 3g4f:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 3g4f

Go back to Magnesium Binding Sites List in 3g4f
Magnesium binding site 1 out of 6 in the Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl 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 (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg604

b:46.5
occ:1.00
 O1A A:FPF801 2.3 73.0 1.0
OD2 A:ASP311 2.4 55.8 1.0
MG A:MG605 2.5 49.8 1.0
OD1 A:ASP307 2.5 65.5 1.0
O A:HOH635 2.5 45.5 1.0
OD2 A:ASP307 2.6 54.3 1.0
O1B A:FPF801 2.7 72.9 1.0
O3B A:FPF801 2.8 78.0 1.0
CG A:ASP307 2.9 51.4 1.0
P2 A:FPF801 2.9 87.3 1.0
O3A A:FPF801 3.2 77.0 1.0
P1 A:FPF801 3.2 87.2 1.0
CG A:ASP311 3.6 66.0 1.0
O A:HOH642 3.9 70.7 1.0
O2A A:FPF801 4.3 73.4 1.0
O1 A:FPF801 4.3 79.5 1.0
OD1 A:ASP311 4.4 66.4 1.0
CB A:ASP307 4.4 45.5 1.0
O2B A:FPF801 4.6 82.6 1.0
CB A:ASP311 4.6 63.2 1.0
O A:ASP307 4.9 52.0 1.0

Magnesium binding site 2 out of 6 in 3g4f

Go back to Magnesium Binding Sites List in 3g4f
Magnesium binding site 2 out of 6 in the Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl 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 (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg605

b:49.8
occ:1.00
 O1B A:FPF801 2.2 72.9 1.0
MG A:MG604 2.5 46.5 1.0
OD2 A:ASP307 2.5 54.3 1.0
OD2 A:ASP311 2.7 55.8 1.0
OE1 A:GLU385 3.4 63.5 1.0
O A:HOH600 3.4 53.1 1.0
CG A:ASP311 3.5 66.0 1.0
OE2 A:GLU385 3.5 80.6 1.0
P2 A:FPF801 3.6 87.3 1.0
OD1 A:ASP311 3.6 66.4 1.0
CG A:ASP307 3.6 51.4 1.0
CD A:GLU385 3.7 69.6 1.0
O3B A:FPF801 3.8 78.0 1.0
OD1 A:ASP307 4.0 65.5 1.0
CE1 A:TYR382 4.4 42.5 1.0
CD1 A:TYR382 4.4 43.4 1.0
O3A A:FPF801 4.5 77.0 1.0
O A:HOH635 4.6 45.5 1.0
O1A A:FPF801 4.6 73.0 1.0
O2B A:FPF801 4.7 82.6 1.0
O A:ASP307 4.8 52.0 1.0
CB A:ASP307 4.9 45.5 1.0
CG A:GLU385 4.9 53.1 1.0
CB A:ASP311 5.0 63.2 1.0
CZ A:TYR382 5.0 39.8 1.0

Magnesium binding site 3 out of 6 in 3g4f

Go back to Magnesium Binding Sites List in 3g4f
Magnesium binding site 3 out of 6 in the Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg606

b:69.0
occ:1.00
 O1 A:FPF801 2.5 79.5 1.0
O3B A:FPF801 2.5 78.0 1.0
F A:FPF801 2.7 80.4 1.0
OD1 A:ASP451 2.8 80.9 1.0
OE1 A:GLU455 2.9 90.2 1.0
OE2 A:GLU455 2.9 80.3 1.0
O2B A:FPF801 3.0 82.6 1.0
CD A:GLU455 3.0 85.2 1.0
P2 A:FPF801 3.2 87.3 1.0
C1 A:FPF801 3.2 79.3 0.2
C2 A:FPF801 3.4 77.2 1.0
CG A:ASP451 3.6 76.3 1.0
P1 A:FPF801 3.6 87.2 1.0
O3A A:FPF801 3.7 77.0 1.0
OD2 A:ASP451 3.7 74.2 1.0
O1A A:FPF801 4.1 73.0 1.0
CG A:GLU455 4.2 80.0 1.0
NH1 A:ARG448 4.3 70.6 1.0
C3 A:FPF801 4.7 82.9 1.0
O1B A:FPF801 4.7 72.9 1.0
O2A A:FPF801 4.8 73.4 1.0
O A:ASP451 4.9 75.5 1.0
NH2 A:ARG448 5.0 74.8 1.0

Magnesium binding site 4 out of 6 in 3g4f

Go back to Magnesium Binding Sites List in 3g4f
Magnesium binding site 4 out of 6 in the Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:56.6
occ:1.00
 O1A B:FPF802 2.5 97.0 1.0
OD1 B:ASP307 2.5 78.2 1.0
MG B:MG602 2.6 58.1 1.0
OD2 B:ASP311 2.7 81.8 1.0
O B:HOH588 2.8 84.3 1.0
O3B B:FPF802 2.9 96.5 1.0
O3A B:FPF802 2.9 93.2 1.0
OD2 B:ASP307 2.9 69.2 1.0
CG B:ASP307 3.1 72.7 1.0
P1 B:FPF802 3.1 99.3 1.0
P2 B:FPF802 3.2 94.4 1.0
O1B B:FPF802 3.4 79.8 1.0
CG B:ASP311 3.8 83.4 1.0
O2A B:FPF802 3.8 99.4 1.0
OD1 B:ASP311 4.2 80.5 1.0
O B:ASP307 4.4 74.8 1.0
O1 B:FPF802 4.5 87.4 1.0
CB B:ASP307 4.6 70.1 1.0
O2B B:FPF802 4.8 79.2 1.0

Magnesium binding site 5 out of 6 in 3g4f

Go back to Magnesium Binding Sites List in 3g4f
Magnesium binding site 5 out of 6 in the Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg602

b:58.1
occ:1.00
 OD2 B:ASP307 2.4 69.2 1.0
O1B B:FPF802 2.5 79.8 1.0
MG B:MG601 2.6 56.6 1.0
OE1 B:GLU385 2.9 82.8 1.0
CG B:ASP307 3.4 72.7 1.0
O3B B:FPF802 3.5 96.5 1.0
P2 B:FPF802 3.5 94.4 1.0
OD2 B:ASP311 3.6 81.8 1.0
OD1 B:ASP311 3.7 80.5 1.0
OD1 B:ASP307 3.8 78.2 1.0
CD B:GLU385 3.9 82.1 1.0
CG B:ASP311 4.1 83.4 1.0
O3A B:FPF802 4.2 93.2 1.0
CE1 B:TYR382 4.2 56.3 1.0
CD1 B:TYR382 4.3 58.1 1.0
OE2 B:GLU385 4.4 85.6 1.0
O B:ASP307 4.5 74.8 1.0
O1A B:FPF802 4.7 97.0 1.0
CB B:ASP307 4.8 70.1 1.0
O2B B:FPF802 4.9 79.2 1.0

Magnesium binding site 6 out of 6 in 3g4f

Go back to Magnesium Binding Sites List in 3g4f
Magnesium binding site 6 out of 6 in the Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg603

b:66.8
occ:1.00
 OE1 B:GLU455 2.5 92.1 1.0
OD1 B:ASP451 2.6 64.9 1.0
O3B B:FPF802 2.6 96.5 1.0
F B:FPF802 2.9 71.2 1.0
O2B B:FPF802 2.9 79.2 1.0
O1 B:FPF802 2.9 87.4 1.0
CD B:GLU455 3.0 83.9 1.0
OE2 B:GLU455 3.2 88.7 1.0
P2 B:FPF802 3.3 94.4 1.0
NH1 B:ARG448 3.5 85.4 1.0
O1A B:FPF802 3.6 97.0 1.0
P1 B:FPF802 3.7 99.3 1.0
CG B:ASP451 3.8 65.3 1.0
C2 B:FPF802 3.9 78.0 1.0
O3A B:FPF802 3.9 93.2 1.0
C1 B:FPF802 4.0 85.8 1.0
CG B:GLU455 4.1 68.9 1.0
OD1 B:ASP452 4.1 78.0 1.0
OD2 B:ASP451 4.3 75.8 1.0
CZ B:ARG448 4.7 83.4 1.0
O1B B:FPF802 4.7 79.8 1.0
O B:HOH610 4.8 61.3 1.0
CB B:ASP451 4.9 61.8 1.0

Reference:

H.A.Gennadios, V.Gonzalez, L.Di Costanzo, A.Li, F.Yu, D.J.Miller, R.K.Allemann, D.W.Christianson. Crystal Structure of (+)-Delta-Cadinene Synthase From Gossypium Arboreum and Evolutionary Divergence of Metal Binding Motifs For Catalysis. Biochemistry V. 48 6175 2009.
ISSN: ISSN 0006-2960
PubMed: 19489610
DOI: 10.1021/BI900483B
Page generated: Wed Aug 14 14:02:48 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