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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

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