Atomistry » Magnesium » PDB 7plz-7prc » 7pqv
Atomistry »
  Magnesium »
    PDB 7plz-7prc »
      7pqv »

Magnesium in PDB 7pqv: MEK1 in Complex with Compound 7

Enzymatic activity of MEK1 in Complex with Compound 7

All present enzymatic activity of MEK1 in Complex with Compound 7:
2.7.12.2;

Protein crystallography data

The structure of MEK1 in Complex with Compound 7, PDB code: 7pqv was solved by H.Moebitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 66.82 / 2.13
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 77.158, 77.158, 222.649, 90, 90, 120
R / Rfree (%) 23.5 / 28.7

Other elements in 7pqv:

The structure of MEK1 in Complex with Compound 7 also contains other interesting chemical elements:

Calcium (Ca) 2 atoms
Fluorine (F) 1 atom
Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the MEK1 in Complex with Compound 7 (pdb code 7pqv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the MEK1 in Complex with Compound 7, PDB code: 7pqv:

Magnesium binding site 1 out of 1 in 7pqv

Go back to Magnesium Binding Sites List in 7pqv
Magnesium binding site 1 out of 1 in the MEK1 in Complex with Compound 7


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of MEK1 in Complex with Compound 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg404

b:34.7
occ:1.00
OD2 A:ASP190 2.3 30.8 1.0
O A:HOH630 2.3 50.4 1.0
OD2 A:ASP208 2.3 42.5 1.0
O A:HOH621 2.7 47.7 1.0
CG A:ASP208 3.4 36.0 1.0
CG A:ASP190 3.4 31.7 1.0
CG A:ASN78 3.7 66.8 1.0
OD1 A:ASN78 3.7 67.5 1.0
OD1 A:ASP208 3.8 37.5 1.0
ND2 A:ASN78 3.9 66.8 1.0
CB A:ASP190 4.0 32.2 1.0
CB A:ASN78 4.1 65.3 1.0
ND2 A:ASN195 4.4 25.5 1.0
OD1 A:ASP190 4.4 30.5 1.0
O A:HOH684 4.4 44.2 1.0
O A:ASP208 4.6 33.2 1.0
O A:HOH536 4.6 34.9 1.0
CB A:ASP208 4.6 33.7 1.0
O A:HOH592 4.9 48.1 1.0
CE A:LYS192 4.9 29.3 1.0

Reference:

R.Poddutoori, K.Aardalen, K.Aithal, S.S.Barahagar, C.Belliappa, M.Bock, S.Chelur, A.Gerken, S.Gopinath, B.Gruenenfelder, M.Kiffe, M.Krishnaswami, J.Langowski, S.Madapa, K.Narayanan, C.Pandit, S.K.Panigrahi, M.Perrone, R.K.Potakamuri, M.Ramachandra, A.Ramanathan, R.Ramos, E.Sager, S.Samajdar, H.S.Subramanya, D.S.Thimmasandra, E.Venetsanakos, H.Mobitz. Discovery of MAP855, An Efficacious and Selective MEK1/2 Inhibitor with An Atp-Competitive Mode of Action. J.Med.Chem. V. 65 4350 2022.
ISSN: ISSN 0022-2623
PubMed: 35195996
DOI: 10.1021/ACS.JMEDCHEM.1C02192
Page generated: Thu Oct 3 04:44:12 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy