Atomistry » Magnesium » PDB 7khe-7ko3 » 7kjd
Atomistry »
  Magnesium »
    PDB 7khe-7ko3 »
      7kjd »

Magnesium in PDB 7kjd: F96M Epi-Isozizaene Synthase: Complex with 3 MG2+ and Risedronate

Enzymatic activity of F96M Epi-Isozizaene Synthase: Complex with 3 MG2+ and Risedronate

All present enzymatic activity of F96M Epi-Isozizaene Synthase: Complex with 3 MG2+ and Risedronate:
4.2.3.37;

Protein crystallography data

The structure of F96M Epi-Isozizaene Synthase: Complex with 3 MG2+ and Risedronate, PDB code: 7kjd was solved by T.A.Ronnebaum, S.M.Gardner, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 52.50 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 52.820, 47.080, 75.410, 90.00, 96.31, 90.00
R / Rfree (%) 21.5 / 24.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the F96M Epi-Isozizaene Synthase: Complex with 3 MG2+ and Risedronate (pdb code 7kjd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the F96M Epi-Isozizaene Synthase: Complex with 3 MG2+ and Risedronate, PDB code: 7kjd:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 7kjd

Go back to Magnesium Binding Sites List in 7kjd
Magnesium binding site 1 out of 3 in the F96M Epi-Isozizaene Synthase: Complex with 3 MG2+ and Risedronate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of F96M Epi-Isozizaene Synthase: Complex with 3 MG2+ and Risedronate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:17.0
occ:1.00
O11 A:RIS405 2.0 18.0 1.0
O17 A:RIS405 2.0 17.0 1.0
OD1 A:ASN240 2.0 15.5 1.0
OE2 A:GLU248 2.0 21.0 1.0
O A:HOH534 2.1 17.1 1.0
OG A:SER244 2.4 17.7 1.0
CG A:ASN240 3.0 16.3 1.0
CD A:GLU248 3.1 21.2 1.0
P14 A:RIS405 3.2 16.2 1.0
P9 A:RIS405 3.3 14.8 1.0
CB A:SER244 3.3 17.5 1.0
ND2 A:ASN240 3.4 16.1 1.0
OE1 A:GLU248 3.6 21.8 1.0
C8 A:RIS405 3.6 14.7 1.0
O13 A:RIS405 3.6 16.0 1.0
O A:HOH570 3.8 20.6 1.0
NH2 A:ARG194 3.8 16.1 1.0
O15 A:RIS405 3.9 17.7 1.0
O A:HOH589 4.0 19.2 1.0
O A:ASN240 4.2 18.6 1.0
O12 A:RIS405 4.2 17.9 1.0
CG A:GLU248 4.3 22.8 1.0
O10 A:RIS405 4.3 15.0 1.0
CB A:ASN240 4.4 13.2 1.0
OD1 A:ASP241 4.4 16.5 1.0
C A:ASN240 4.4 15.0 1.0
O16 A:RIS405 4.5 15.9 1.0
MG A:MG403 4.7 18.7 1.0
CA A:SER244 4.7 21.3 1.0
N A:ASP241 4.7 15.2 1.0
CZ A:ARG194 4.8 16.1 1.0
CA A:ASP241 4.9 15.0 1.0

Magnesium binding site 2 out of 3 in 7kjd

Go back to Magnesium Binding Sites List in 7kjd
Magnesium binding site 2 out of 3 in the F96M Epi-Isozizaene Synthase: Complex with 3 MG2+ and Risedronate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of F96M Epi-Isozizaene Synthase: Complex with 3 MG2+ and Risedronate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:15.9
occ:1.00
O A:HOH532 1.9 17.9 1.0
O A:HOH505 2.0 18.6 1.0
O A:HOH546 2.0 18.0 1.0
O A:HOH583 2.1 18.6 1.0
O12 A:RIS405 2.1 17.9 1.0
OD1 A:ASP99 2.2 16.7 1.0
CG A:ASP99 3.2 17.8 1.0
MG A:MG403 3.2 18.7 1.0
P9 A:RIS405 3.3 14.8 1.0
OD2 A:ASP99 3.5 16.5 1.0
O10 A:RIS405 3.5 15.0 1.0
OH A:TYR172 3.8 19.1 1.0
O A:HOH585 3.9 20.9 1.0
OE1 A:GLU175 3.9 22.1 1.0
CZ A:TYR172 4.1 16.1 1.0
O A:HOH570 4.2 20.6 1.0
OE2 A:GLU175 4.2 19.3 1.0
O11 A:RIS405 4.2 18.0 1.0
O A:HOH589 4.3 19.2 1.0
CE2 A:TYR172 4.3 21.6 1.0
C1 A:RIS405 4.4 17.0 1.0
OE1 A:GLU253 4.4 23.1 1.0
O A:HOH597 4.5 23.6 1.0
CD A:GLU175 4.5 20.9 1.0
CB A:ASP99 4.5 16.2 1.0
C8 A:RIS405 4.7 14.7 1.0
C7 A:RIS405 4.7 16.9 1.0
O15 A:RIS405 4.8 17.7 1.0
O A:HOH603 4.8 21.1 1.0
CE1 A:TYR172 4.9 16.8 1.0
ND1 A:HIS102 5.0 17.0 1.0

Magnesium binding site 3 out of 3 in 7kjd

Go back to Magnesium Binding Sites List in 7kjd
Magnesium binding site 3 out of 3 in the F96M Epi-Isozizaene Synthase: Complex with 3 MG2+ and Risedronate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of F96M Epi-Isozizaene Synthase: Complex with 3 MG2+ and Risedronate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg403

b:18.7
occ:1.00
O A:HOH603 2.0 21.1 1.0
O15 A:RIS405 2.0 17.7 1.0
O12 A:RIS405 2.1 17.9 1.0
O A:HOH589 2.1 19.2 1.0
OD2 A:ASP99 2.1 16.5 1.0
O A:HOH546 2.3 18.0 1.0
CG A:ASP99 3.1 17.8 1.0
MG A:MG402 3.2 15.9 1.0
P9 A:RIS405 3.3 14.8 1.0
P14 A:RIS405 3.3 16.2 1.0
OD1 A:ASP99 3.4 16.7 1.0
C8 A:RIS405 3.7 14.7 1.0
O11 A:RIS405 3.8 18.0 1.0
NZ A:LYS247 3.8 21.8 1.0
O A:HOH627 4.0 22.0 1.0
NH2 A:ARG338 4.0 17.0 1.0
C7 A:RIS405 4.0 16.9 1.0
O17 A:RIS405 4.1 17.0 1.0
O A:HOH583 4.1 18.6 1.0
OE1 A:GLU253 4.2 23.1 1.0
O A:HOH585 4.2 20.9 1.0
OE2 A:GLU248 4.3 21.0 1.0
O16 A:RIS405 4.4 15.9 1.0
CB A:ASP99 4.4 16.2 1.0
O10 A:RIS405 4.5 15.0 1.0
O A:HOH570 4.5 20.6 1.0
O A:HOH524 4.7 24.3 1.0
MG A:MG401 4.7 17.0 1.0
O A:HOH532 4.7 17.9 1.0
O A:HOH550 4.8 24.9 1.0
O A:HOH505 4.8 18.6 1.0
CE A:LYS247 4.8 26.5 1.0

Reference:

T.A.Ronnebaum, S.M.Gardner, D.W.Christianson. An Aromatic Cluster in the Active Site of Epi -Isozizaene Synthase Is An Electrostatic Toggle For Divergent Terpene Cyclization Pathways. Biochemistry 2020.
ISSN: ISSN 0006-2960
PubMed: 33270439
DOI: 10.1021/ACS.BIOCHEM.0C00876
Page generated: Wed Oct 2 22:20:24 2024

Last articles

Ni in 5OM8
Ni in 5ODR
Ni in 5OL4
Ni in 5ODQ
Ni in 5ODH
Ni in 5ODC
Ni in 5O5D
Ni in 5O59
Ni in 5OA8
Ni in 5OA7
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy