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Magnesium in PDB 4odo: Structure of Slyd From Thermus Thermophilus in Complex with FK506

Enzymatic activity of Structure of Slyd From Thermus Thermophilus in Complex with FK506

All present enzymatic activity of Structure of Slyd From Thermus Thermophilus in Complex with FK506:
5.2.1.8;

Protein crystallography data

The structure of Structure of Slyd From Thermus Thermophilus in Complex with FK506, PDB code: 4odo was solved by E.M.Quistgaard, C.Low, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.81 / 1.60
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 48.710, 50.210, 57.670, 85.74, 68.92, 80.12
R / Rfree (%) 18 / 20.4

Other elements in 4odo:

The structure of Structure of Slyd From Thermus Thermophilus in Complex with FK506 also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Slyd From Thermus Thermophilus in Complex with FK506 (pdb code 4odo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of Slyd From Thermus Thermophilus in Complex with FK506, PDB code: 4odo:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4odo

Go back to Magnesium Binding Sites List in 4odo
Magnesium binding site 1 out of 4 in the Structure of Slyd From Thermus Thermophilus in Complex with FK506


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Slyd From Thermus Thermophilus in Complex with FK506 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg201

b:23.5
occ:1.00
 OE2 A:GLU112 2.0 21.3 1.0
O B:HOH366 2.1 27.1 1.0
O A:HOH351 2.1 30.4 1.0
O B:HOH313 2.1 27.6 1.0
O B:HOH310 2.1 22.9 1.0
O A:HOH377 2.1 28.8 1.0
CD A:GLU112 3.1 25.0 1.0
OE1 A:GLU112 3.5 24.6 1.0
NE2 B:GLN72 3.9 16.7 1.0
O B:HOH443 4.0 42.7 1.0
O B:HOH463 4.2 50.6 1.0
O B:VAL71 4.2 18.1 1.0
OE1 B:GLN72 4.2 17.7 1.0
CG A:GLU112 4.4 14.9 1.0
O B:HOH367 4.4 34.6 1.0
O B:HOH507 4.4 47.1 1.0
CD B:GLN72 4.5 17.4 1.0
O A:HOH412 4.5 47.0 1.0
O B:PRO68 4.6 21.0 1.0
O B:HOH339 5.0 32.0 1.0

Magnesium binding site 2 out of 4 in 4odo

Go back to Magnesium Binding Sites List in 4odo
Magnesium binding site 2 out of 4 in the Structure of Slyd From Thermus Thermophilus in Complex with FK506


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Slyd From Thermus Thermophilus in Complex with FK506 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg202

b:25.5
occ:1.00
 O A:HOH347 2.1 22.9 1.0
O A:HOH366 2.1 31.6 1.0
O A:HOH301 2.1 27.1 1.0
O A:HOH370 2.1 26.9 1.0
O A:HOH361 2.1 27.6 1.0
O A:HOH353 2.1 30.1 1.0
O A:HOH518 3.7 41.1 1.0
O A:HOH359 4.2 39.1 1.0
O A:VAL133 4.4 17.5 1.0
OE2 A:GLU49 4.4 32.5 1.0
O A:HOH498 4.6 42.1 1.0
O A:HOH549 4.6 51.4 1.0
O A:HOH390 4.6 48.6 1.0
CA A:GLY50 4.8 19.6 1.0
CG A:GLU49 4.9 32.4 1.0

Magnesium binding site 3 out of 4 in 4odo

Go back to Magnesium Binding Sites List in 4odo
Magnesium binding site 3 out of 4 in the Structure of Slyd From Thermus Thermophilus in Complex with FK506


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Slyd From Thermus Thermophilus in Complex with FK506 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg203

b:41.8
occ:1.00
 O A:HOH479 2.1 49.3 1.0
O A:HOH478 2.1 34.9 1.0
O A:HOH480 2.1 41.6 1.0
O A:HOH333 2.1 26.0 1.0
O A:HOH519 2.4 54.8 1.0
O A:HOH443 2.6 43.9 1.0
O A:GLN5 3.8 16.5 1.0
O A:HOH357 3.9 29.9 1.0
O A:HOH388 3.9 31.7 1.0
O A:HOH544 4.1 56.4 1.0
OE1 A:GLU137 4.2 27.9 1.0
OE2 A:GLU137 4.3 37.9 1.0
NZ A:LYS7 4.3 26.2 1.0
CB A:ASP6 4.5 19.2 1.0
O A:HOH397 4.7 32.5 1.0
CD A:GLU137 4.7 29.1 1.0
C A:GLN5 4.9 13.6 1.0

Magnesium binding site 4 out of 4 in 4odo

Go back to Magnesium Binding Sites List in 4odo
Magnesium binding site 4 out of 4 in the Structure of Slyd From Thermus Thermophilus in Complex with FK506


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of Slyd From Thermus Thermophilus in Complex with FK506 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg201

b:43.1
occ:1.00
 O C:HOH419 2.0 29.3 1.0
O C:HOH319 2.1 26.4 1.0
O C:SER77 2.1 21.8 1.0
O C:HOH385 2.1 32.7 1.0
O B:HOH385 2.5 30.5 1.0
O C:HOH381 2.6 45.2 1.0
C C:SER77 3.2 21.8 1.0
O C:PHE79 3.8 23.3 1.0
CA C:SER77 4.0 22.7 1.0
O B:HOH387 4.0 27.2 1.0
CB C:SER77 4.2 20.9 1.0
OE2 C:GLU81 4.3 50.6 1.0
N C:ALA78 4.3 18.0 1.0
O C:HOH334 4.3 34.6 1.0
C44 B:FK5203 4.3 21.3 1.0
C C:ALA78 4.5 18.3 1.0
CA C:ALA78 4.5 18.0 1.0
O B:HOH491 4.6 53.1 1.0
O C:HOH305 4.6 24.8 1.0
C C:PHE79 4.6 21.1 1.0
N C:PHE79 4.7 19.9 1.0
O C:ALA78 4.8 18.6 1.0

Reference:

E.M.Quistgaard, C.Low, P.Nordlund. Structure of Slyd From Thermus Thermophilus in Complex with FK506 To Be Published.
Page generated: Mon Dec 14 19:17:25 2020

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