Magnesium in PDB 6v30: Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib

Enzymatic activity of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib

All present enzymatic activity of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib:
2.7.11.1; 2.7.12.2;

Protein crystallography data

The structure of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib, PDB code: 6v30 was solved by K.Li, G.Gonzalez Del-Pino, E.Park, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.55 / 3.09
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 117.334, 117.334, 130.004, 90.00, 90.00, 120.00
R / Rfree (%) 18.9 / 22.9

Other elements in 6v30:

The structure of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib also contains other interesting chemical elements:

Fluorine (F) 1 atom
Iodine (I) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib (pdb code 6v30). 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 the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib, PDB code: 6v30:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6v30

Go back to Magnesium Binding Sites List in 6v30
Magnesium binding site 1 out of 2 in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib


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 the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg802

b:0.8
occ:1.00
OD1 B:ASN195 2.3 88.0 1.0
O2A B:ANP801 2.4 0.3 0.8
OD2 B:ASP208 2.4 0.7 1.0
O1B B:ANP801 2.5 0.1 0.8
O1G B:ANP801 3.3 0.5 0.8
CG B:ASP208 3.3 0.5 1.0
CG B:ASN195 3.3 79.7 1.0
C19 B:QOA803 3.6 0.1 1.0
PA B:ANP801 3.6 0.0 0.8
CB B:ASP208 3.7 75.9 1.0
ND2 B:ASN195 3.7 75.1 1.0
PB B:ANP801 3.8 0.7 0.8
NZ B:LYS97 3.9 0.3 1.0
O1A B:ANP801 4.0 85.0 0.8
O3A B:ANP801 4.1 0.4 0.8
O23 B:QOA803 4.2 0.2 1.0
OD1 B:ASP208 4.3 1.0 1.0
C20 B:QOA803 4.3 96.3 1.0
PG B:ANP801 4.5 0.2 0.8
CE B:LYS192 4.6 82.6 1.0
OD2 B:ASP190 4.6 0.6 1.0
CB B:ASN195 4.6 72.7 1.0
N3B B:ANP801 4.7 1.0 0.8
O B:SER194 4.7 81.8 1.0
N18 B:QOA803 4.7 0.4 1.0
O2B B:ANP801 4.9 83.2 0.8
O5' B:ANP801 4.9 88.8 0.8
CA B:ASN195 5.0 81.0 1.0

Magnesium binding site 2 out of 2 in 6v30

Go back to Magnesium Binding Sites List in 6v30
Magnesium binding site 2 out of 2 in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib


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 the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:64.3
occ:1.00
O1B A:ANP801 2.1 68.3 1.0
OD2 A:ASP594 2.2 73.9 1.0
OD1 A:ASN581 2.3 65.0 1.0
O1A A:ANP801 2.6 77.6 1.0
O2G A:ANP801 2.7 65.1 1.0
CG A:ASP594 3.4 71.5 1.0
CG A:ASN581 3.4 64.7 1.0
PB A:ANP801 3.5 75.5 1.0
O A:ASN580 3.6 62.9 1.0
PA A:ANP801 3.6 78.7 1.0
C8 A:ANP801 3.9 84.7 1.0
O5' A:ANP801 3.9 72.7 1.0
CA A:ASN581 4.0 66.2 1.0
O3A A:ANP801 4.1 87.5 1.0
PG A:ANP801 4.1 75.8 1.0
C A:ASN580 4.1 59.8 1.0
CB A:ASN581 4.2 62.9 1.0
CB A:ASP594 4.3 66.2 1.0
N7 A:ANP801 4.3 82.7 1.0
OD1 A:ASP594 4.3 92.9 1.0
N A:ASN581 4.4 60.8 1.0
N3B A:ANP801 4.4 76.8 1.0
ND2 A:ASN581 4.4 67.3 1.0
O2B A:ANP801 4.5 75.0 1.0
CE1 A:PHE583 4.6 76.5 1.0
CZ A:PHE583 4.7 71.2 1.0
C2' A:ANP801 4.7 76.9 1.0
NZ A:LYS483 4.8 88.3 1.0
N9 A:ANP801 4.9 86.3 1.0
O1G A:ANP801 4.9 77.1 1.0
CB A:ASN580 5.0 59.5 1.0
O2A A:ANP801 5.0 72.2 1.0

Reference:

K.Li, G.Gonzalez Del-Pino, E.Park, M.J.Eck. Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib To Be Published.
Page generated: Tue Dec 15 01:07:11 2020

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