Atomistry » Fluorine » PDB 1rw8-1uda » 1s9i
Atomistry »
  Fluorine »
    PDB 1rw8-1uda »
      1s9i »

Fluorine 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:

Magnesium (Mg) 2 atoms
Iodine (I) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 6 binding sites of Fluorine 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 Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 1s9i

Go back to Fluorine Binding Sites List in 1s9i
Fluorine binding site 1 out of 6 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 Fluorine with other atoms in the F 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:F1001

b:32.9
occ:1.00
F20 A:5EA1001 0.0 32.9 1.0
C15 A:5EA1001 1.3 33.0 1.0
C19 A:5EA1001 2.4 33.9 1.0
C10 A:5EA1001 2.5 32.5 1.0
N5 A:5EA1001 2.8 31.1 1.0
OD1 A:ASP212 3.2 33.5 1.0
CE A:MET147 3.5 40.4 1.0
C23 A:5EA1001 3.6 34.8 1.0
C16 A:5EA1001 3.7 33.0 1.0
CD A:LYS101 3.7 47.4 1.0
CG2 A:ILE145 3.7 43.7 1.0
CD1 A:ILE145 3.8 43.6 1.0
N8 A:5EA1001 4.1 30.0 1.0
CE A:LYS101 4.1 47.2 1.0
CB A:ILE145 4.1 43.9 1.0
C2 A:5EA1001 4.1 29.9 1.0
C21 A:5EA1001 4.1 34.1 1.0
SD A:MET147 4.3 41.7 1.0
CG A:ASP212 4.5 33.6 1.0
CB A:LYS101 4.5 48.8 1.0
CG1 A:ILE145 4.6 44.0 1.0
N A:ASP212 4.6 32.9 1.0
CA A:ASP212 4.7 33.3 1.0
CG A:LYS101 4.7 48.3 1.0
N14 A:5EA1001 4.9 30.2 1.0
C3 A:5EA1001 5.0 30.1 1.0

Fluorine binding site 2 out of 6 in 1s9i

Go back to Fluorine Binding Sites List in 1s9i
Fluorine binding site 2 out of 6 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 Fluorine with other atoms in the F 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
A:F1001

b:29.9
occ:1.00
F1 A:5EA1001 0.0 29.9 1.0
C6 A:5EA1001 1.3 29.5 1.0
C11 A:5EA1001 2.4 29.1 1.0
C2 A:5EA1001 2.5 29.9 1.0
C16 A:5EA1001 2.8 33.0 1.0
F17 A:5EA1001 2.8 28.8 1.0
CG2 A:VAL215 2.9 38.0 1.0
N5 A:5EA1001 2.9 31.1 1.0
C10 A:5EA1001 3.0 32.5 1.0
CD2 A:LEU119 3.3 42.5 1.0
O A:PHE213 3.5 35.2 1.0
C9 A:5EA1001 3.7 29.2 1.0
C1 A:5EA1001 3.8 29.7 1.0
C21 A:5EA1001 3.8 34.1 1.0
CB A:VAL215 4.0 38.0 1.0
CD1 A:ILE145 4.0 43.6 1.0
N A:VAL215 4.1 37.3 1.0
CD1 A:LEU122 4.2 37.5 1.0
C4 A:5EA1001 4.2 29.4 1.0
C15 A:5EA1001 4.2 33.0 1.0
CD1 A:LEU219 4.3 44.2 1.0
CA A:VAL215 4.6 38.1 1.0
N A:SER216 4.7 39.4 1.0
C A:PHE213 4.7 35.0 1.0
CG A:LEU119 4.8 42.9 1.0
C23 A:5EA1001 4.8 34.8 1.0
C19 A:5EA1001 5.0 33.9 1.0

Fluorine binding site 3 out of 6 in 1s9i

Go back to Fluorine Binding Sites List in 1s9i
Fluorine binding site 3 out of 6 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 Fluorine with other atoms in the F binding site number 3 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:F1001

b:28.8
occ:1.00
F17 A:5EA1001 0.0 28.8 1.0
C11 A:5EA1001 1.3 29.1 1.0
C9 A:5EA1001 2.4 29.2 1.0
C6 A:5EA1001 2.5 29.5 1.0
N A:SER216 2.6 39.4 1.0
F1 A:5EA1001 2.8 29.9 1.0
N A:VAL215 2.9 37.3 1.0
O A:SER216 3.3 40.8 1.0
CA A:SER216 3.4 40.0 1.0
C A:GLY214 3.5 36.7 1.0
CB A:SER216 3.5 40.0 1.0
C A:VAL215 3.5 38.6 1.0
CA A:VAL215 3.6 38.1 1.0
CA A:GLY214 3.6 36.2 1.0
C4 A:5EA1001 3.6 29.4 1.0
CG2 A:VAL215 3.7 38.0 1.0
C A:SER216 3.8 40.7 1.0
C2 A:5EA1001 3.8 29.9 1.0
CB A:VAL215 3.9 38.0 1.0
O A:PHE213 4.0 35.2 1.0
CB A:LEU219 4.0 44.7 1.0
CD1 A:LEU219 4.1 44.2 1.0
C1 A:5EA1001 4.2 29.7 1.0
CD2 A:LEU119 4.2 42.5 1.0
CD1 A:ILE220 4.4 46.0 1.0
O A:GLY214 4.5 36.7 1.0
OG A:SER216 4.5 40.0 1.0
N A:GLY214 4.7 35.6 1.0
O A:VAL215 4.7 38.8 1.0
CG A:LEU219 4.7 44.3 1.0
C A:PHE213 4.7 35.0 1.0
N5 A:5EA1001 4.9 31.1 1.0

Fluorine binding site 4 out of 6 in 1s9i

Go back to Fluorine Binding Sites List in 1s9i
Fluorine binding site 4 out of 6 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 Fluorine with other atoms in the F binding site number 4 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:F1002

b:38.9
occ:1.00
F20 B:5EA1002 0.0 38.9 1.0
C15 B:5EA1002 1.3 38.7 1.0
C19 B:5EA1002 2.4 40.4 1.0
C10 B:5EA1002 2.5 37.7 1.0
N5 B:5EA1002 2.8 35.6 1.0
OD1 B:ASP212 3.0 47.2 1.0
CD B:LYS101 3.4 60.6 1.0
C23 B:5EA1002 3.6 41.5 1.0
C16 B:5EA1002 3.7 38.5 1.0
CG2 B:ILE145 3.8 53.9 1.0
CE B:LYS101 3.8 60.2 1.0
NZ B:LYS101 3.9 60.0 1.0
N8 B:5EA1002 4.0 33.8 1.0
CE B:MET147 4.0 51.9 1.0
C21 B:5EA1002 4.1 40.2 1.0
C2 B:5EA1002 4.2 33.9 1.0
CG B:ASP212 4.2 46.3 1.0
SD B:MET147 4.3 52.0 1.0
CG B:LYS101 4.3 60.6 1.0
CB B:ILE145 4.4 54.1 1.0
CB B:LYS101 4.4 60.5 1.0
CA B:ASP212 4.7 45.8 1.0
N14 B:5EA1002 4.8 33.6 1.0
SG B:CYS211 4.8 44.0 1.0
CD1 B:ILE145 4.8 54.2 1.0
C3 B:5EA1002 4.9 33.6 1.0
N B:ASP212 4.9 45.1 1.0
CB B:ASP212 4.9 45.9 1.0

Fluorine binding site 5 out of 6 in 1s9i

Go back to Fluorine Binding Sites List in 1s9i
Fluorine binding site 5 out of 6 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 Fluorine with other atoms in the F binding site number 5 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:F1002

b:33.1
occ:1.00
F1 B:5EA1002 0.0 33.1 1.0
C6 B:5EA1002 1.3 33.5 1.0
C11 B:5EA1002 2.5 33.3 1.0
C2 B:5EA1002 2.5 33.9 1.0
C16 B:5EA1002 2.6 38.5 1.0
F17 B:5EA1002 2.8 33.7 1.0
N5 B:5EA1002 2.9 35.6 1.0
C10 B:5EA1002 3.0 37.7 1.0
CD2 B:LEU119 3.2 54.6 1.0
CG2 B:VAL215 3.3 53.1 1.0
O B:PHE213 3.4 48.2 1.0
CD1 B:LEU122 3.6 49.3 1.0
C21 B:5EA1002 3.7 40.2 1.0
C9 B:5EA1002 3.7 33.0 1.0
C1 B:5EA1002 3.8 33.4 1.0
C4 B:5EA1002 4.2 33.1 1.0
C15 B:5EA1002 4.3 38.7 1.0
CD1 B:LEU219 4.4 64.2 1.0
N B:VAL215 4.4 52.1 1.0
C B:PHE213 4.6 48.2 1.0
CG B:LEU119 4.6 54.8 1.0
CG B:LEU122 4.6 49.4 1.0
CB B:VAL215 4.7 53.2 1.0
C23 B:5EA1002 4.7 41.5 1.0
N B:SER216 5.0 55.0 1.0
CD2 B:LEU122 5.0 49.2 1.0
C19 B:5EA1002 5.0 40.4 1.0

Fluorine binding site 6 out of 6 in 1s9i

Go back to Fluorine Binding Sites List in 1s9i
Fluorine binding site 6 out of 6 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 Fluorine with other atoms in the F binding site number 6 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:F1002

b:33.7
occ:1.00
F17 B:5EA1002 0.0 33.7 1.0
C11 B:5EA1002 1.3 33.3 1.0
C9 B:5EA1002 2.4 33.0 1.0
C6 B:5EA1002 2.5 33.5 1.0
N B:SER216 2.7 55.0 1.0
F1 B:5EA1002 2.8 33.1 1.0
N B:VAL215 2.9 52.1 1.0
CB B:SER216 3.3 55.9 1.0
CG2 B:VAL215 3.3 53.1 1.0
CA B:SER216 3.4 56.0 1.0
C B:GLY214 3.5 51.2 1.0
O B:PHE213 3.5 48.2 1.0
CA B:GLY214 3.5 50.4 1.0
C B:VAL215 3.6 54.0 1.0
C4 B:5EA1002 3.7 33.1 1.0
CA B:VAL215 3.7 53.2 1.0
O B:SER216 3.7 57.0 1.0
C2 B:5EA1002 3.8 33.9 1.0
CD1 B:LEU219 3.8 64.2 1.0
C B:SER216 4.0 56.8 1.0
CB B:VAL215 4.1 53.2 1.0
C1 B:5EA1002 4.2 33.4 1.0
CB B:LEU219 4.2 63.5 1.0
C B:PHE213 4.3 48.2 1.0
OG B:SER216 4.4 56.0 1.0
N B:GLY214 4.4 49.2 1.0
CD2 B:LEU119 4.4 54.6 1.0
O B:GLY214 4.5 51.2 1.0
CG B:LEU219 4.7 63.8 1.0
O B:VAL215 4.8 54.2 1.0
N5 B:5EA1002 5.0 35.6 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: Wed Jul 31 12:50:13 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