Magnesium in PDB 6v2y: Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Trametinib

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

All present enzymatic activity of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Trametinib:
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 Trametinib, PDB code: 6v2y was solved by G.Gonzalez Del-Pino, K.Li, E.Park, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.08 / 3.45
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 116.716, 116.716, 129.483, 90.00, 90.00, 120.00
R / Rfree (%) 18.3 / 20.6

Other elements in 6v2y:

The structure of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Trametinib 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 Trametinib (pdb code 6v2y). 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 Trametinib, PDB code: 6v2y:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6v2y

Go back to Magnesium Binding Sites List in 6v2y
Magnesium binding site 1 out of 2 in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Trametinib


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 Trametinib within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:60.7
occ:1.00
O1B A:ANP801 2.1 56.9 1.0
OD1 A:ASN581 2.2 57.5 1.0
OD2 A:ASP594 2.5 64.2 1.0
O1A A:ANP801 2.6 59.1 1.0
O2G A:ANP801 2.9 56.4 1.0
CG A:ASN581 3.4 61.2 1.0
O A:ASN580 3.4 52.6 1.0
PB A:ANP801 3.6 62.3 1.0
CG A:ASP594 3.7 64.7 1.0
PA A:ANP801 3.8 61.8 1.0
CA A:ASN581 3.9 48.7 1.0
C8 A:ANP801 3.9 68.2 1.0
C A:ASN580 4.0 52.9 1.0
O5' A:ANP801 4.0 59.3 1.0
CB A:ASN581 4.1 46.9 1.0
O3A A:ANP801 4.2 68.8 1.0
N A:ASN581 4.2 51.6 1.0
PG A:ANP801 4.3 60.6 1.0
N7 A:ANP801 4.3 65.3 1.0
ND2 A:ASN581 4.4 76.6 1.0
CB A:ASP594 4.4 61.4 1.0
CE2 A:PHE583 4.4 66.8 1.0
CZ A:PHE583 4.4 67.5 1.0
O2B A:ANP801 4.5 54.4 1.0
N3B A:ANP801 4.5 64.7 1.0
C2' A:ANP801 4.6 68.5 1.0
OD1 A:ASP594 4.6 68.2 1.0
N9 A:ANP801 4.8 69.3 1.0
CB A:ASN580 4.9 63.0 1.0
O1G A:ANP801 5.0 58.1 1.0

Magnesium binding site 2 out of 2 in 6v2y

Go back to Magnesium Binding Sites List in 6v2y
Magnesium binding site 2 out of 2 in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Trametinib


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 Trametinib within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg401

b:69.2
occ:1.00
OD1 B:ASN195 2.1 72.8 1.0
O2A B:ANP403 2.2 77.2 1.0
O1B B:ANP403 2.2 0.0 1.0
OD1 B:ASP208 2.3 86.3 1.0
O3G B:ANP403 2.7 0.6 1.0
CG B:ASP208 2.9 82.5 1.0
CG B:ASN195 3.3 69.5 1.0
PA B:ANP403 3.3 89.8 1.0
CB B:ASP208 3.4 70.5 1.0
PB B:ANP403 3.5 0.4 1.0
O3A B:ANP403 3.5 0.2 1.0
OD2 B:ASP208 3.7 84.5 1.0
ND2 B:ASN195 3.9 76.1 1.0
PG B:ANP403 4.1 0.1 1.0
O1A B:ANP403 4.2 87.3 1.0
N3B B:ANP403 4.3 0.1 1.0
C35 B:QOM402 4.3 93.9 0.9
NZ B:LYS97 4.3 72.5 1.0
O B:SER194 4.3 72.3 1.0
CB B:ASN195 4.5 62.0 1.0
O5' B:ANP403 4.6 86.6 1.0
C37 B:QOM402 4.7 95.4 0.9
OG B:SER194 4.7 75.0 1.0
C B:SER194 4.7 67.8 1.0
CA B:ASN195 4.7 64.7 1.0
O2B B:ANP403 4.7 0.2 1.0
O2G B:ANP403 4.8 0.1 1.0
OD2 B:ASP190 4.8 68.6 1.0
CA B:ASP208 4.9 65.7 1.0
O20 B:QOM402 4.9 95.2 0.9
N B:ASN195 4.9 68.8 1.0
CE B:LYS192 4.9 76.2 1.0
N21 B:QOM402 4.9 88.4 0.9
CB B:SER194 5.0 72.8 1.0

Reference:

G.Gonzalez Del-Pino, K.Li, E.Park, M.J.Eck. Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Trametinib To Be Published.
Page generated: Mon Jan 25 15:16:34 2021

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