Atomistry » Magnesium » PDB 1s9d-1so5 » 1s9i
Atomistry »
  Magnesium »
    PDB 1s9d-1so5 »
      1s9i »

Magnesium in PDB 1s9i: X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 2 (MEK2)in A Complex with Ligand and Mgatp

Enzymatic activity of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 2 (MEK2)in A Complex with Ligand and Mgatp

All present enzymatic activity of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 2 (MEK2)in A Complex with Ligand and Mgatp:
2.7.1.37;

Protein crystallography data

The structure of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 2 (MEK2)in A Complex with Ligand and Mgatp, PDB code: 1s9i was solved by J.F.Ohren, H.Chen, A.Pavlovsky, C.Whitehead, C.Yan, P.Mcconnell, A.Delaney, D.T.Dudley, J.Sebolt-Leopold, C.A.Hasemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.40 / 3.20
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 161.888, 161.888, 122.986, 90.00, 90.00, 120.00
R / Rfree (%) 29 / 36.4

Other elements in 1s9i:

The structure of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 2 (MEK2)in A Complex with Ligand and Mgatp also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Iodine (I) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 2 (MEK2)in A Complex with Ligand and Mgatp (pdb code 1s9i). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 2 (MEK2)in A Complex with Ligand and Mgatp, PDB code: 1s9i:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1s9i

Go back to Magnesium Binding Sites List in 1s9i
Magnesium binding site 1 out of 2 in the X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 2 (MEK2)in A Complex with Ligand and Mgatp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 2 (MEK2)in A Complex with Ligand and Mgatp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg536

b:18.9
occ:1.00
O2A A:ATP535 2.1 48.0 1.0
O3B A:ATP535 2.1 48.6 1.0
OD2 A:ASP212 2.4 34.2 1.0
O2G A:ATP535 2.5 49.3 1.0
ND2 A:ASN199 2.6 22.9 1.0
PG A:ATP535 2.8 48.9 1.0
O1B A:ATP535 3.0 48.8 1.0
PB A:ATP535 3.0 48.1 1.0
PA A:ATP535 3.3 47.8 1.0
O1G A:ATP535 3.3 48.9 1.0
CG A:ASP212 3.4 33.6 1.0
O3A A:ATP535 3.4 48.0 1.0
CG A:ASN199 3.4 23.0 1.0
OD1 A:ASN199 3.6 22.6 1.0
NZ A:LYS101 3.9 47.4 1.0
CB A:ASP212 3.9 33.3 1.0
O3G A:ATP535 4.1 49.2 1.0
O5' A:ATP535 4.2 47.6 1.0
OD1 A:ASP212 4.3 33.5 1.0
O2B A:ATP535 4.4 48.4 1.0
N14 A:5EA1001 4.4 30.2 1.0
O1A A:ATP535 4.5 47.8 1.0
OD2 A:ASP194 4.5 27.4 1.0
N18 A:5EA1001 4.5 31.4 1.0
OG A:SER198 4.6 23.8 1.0
O A:SER198 4.7 23.9 1.0
C13 A:5EA1001 4.8 30.7 1.0
CE A:LYS101 4.8 47.2 1.0
CB A:ASN199 4.9 23.1 1.0
C22 A:5EA1001 5.0 32.2 1.0

Magnesium binding site 2 out of 2 in 1s9i

Go back to Magnesium Binding Sites List in 1s9i
Magnesium binding site 2 out of 2 in the X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 2 (MEK2)in A Complex with Ligand and Mgatp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 2 (MEK2)in A Complex with Ligand and Mgatp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg538

b:32.3
occ:1.00
O2A B:ATP537 1.9 50.8 1.0
O1B B:ATP537 2.2 51.2 1.0
OD1 B:ASN199 2.3 35.0 1.0
OD2 B:ASP212 2.6 46.7 1.0
O2G B:ATP537 2.8 52.8 1.0
PA B:ATP537 3.2 50.6 1.0
CG B:ASP212 3.3 46.3 1.0
CG B:ASN199 3.4 35.0 1.0
PB B:ATP537 3.4 51.0 1.0
O3A B:ATP537 3.5 50.9 1.0
O5' B:ATP537 3.7 50.4 1.0
ND2 B:ASN199 3.8 35.2 1.0
CB B:ASP212 3.9 45.9 1.0
OD1 B:ASP212 4.1 47.2 1.0
PG B:ATP537 4.1 52.4 1.0
O3B B:ATP537 4.1 51.7 1.0
O B:SER198 4.1 34.9 1.0
N14 B:5EA1002 4.4 33.6 1.0
O1A B:ATP537 4.5 50.8 1.0
NZ B:LYS196 4.6 33.4 1.0
O2B B:ATP537 4.6 51.2 1.0
CB B:ASN199 4.7 35.1 1.0
C B:SER198 4.7 34.8 1.0
OD1 B:ASP194 4.8 34.6 1.0
CA B:ASN199 4.8 35.0 1.0
N18 B:5EA1002 4.9 33.9 1.0
CE B:LYS101 4.9 60.2 1.0
C13 B:5EA1002 5.0 33.7 1.0

Reference:

J.F.Ohren, H.Chen, A.Pavlovsky, C.Whitehead, E.Zhang, P.Kuffa, C.Yan, P.Mcconnell, C.Spessard, C.Banotai, W.T.Mueller, A.Delaney, C.Omer, J.Sebolt-Leopold, D.T.Dudley, I.K.Leung, C.Flamme, J.Warmus, M.Kaufman, S.Barrett, H.Tecle, C.A.Hasemann. Structures of Human Map Kinase Kinase 1 (MEK1) and MEK2 Describe Novel Noncompetitive Kinase Inhibition. Nat.Struct.Mol.Biol. V. 11 1192 2004.
ISSN: ISSN 1545-9993
PubMed: 15543157
DOI: 10.1038/NSMB859
Page generated: Tue Aug 13 13:41:54 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy