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Zinc in PDB 4f9w: Human P38ALPHA Mapk in Complex with A Novel and Selective Small Molecule Inhibitor

Enzymatic activity of Human P38ALPHA Mapk in Complex with A Novel and Selective Small Molecule Inhibitor

All present enzymatic activity of Human P38ALPHA Mapk in Complex with A Novel and Selective Small Molecule Inhibitor:
2.7.11.24;

Protein crystallography data

The structure of Human P38ALPHA Mapk in Complex with A Novel and Selective Small Molecule Inhibitor, PDB code: 4f9w was solved by V.L.Grum-Tokars, G.Minasov, W.F.Anderson, D.M.Watterson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.80 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.671, 74.311, 77.270, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 21.6

Other elements in 4f9w:

The structure of Human P38ALPHA Mapk in Complex with A Novel and Selective Small Molecule Inhibitor also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Human P38ALPHA Mapk in Complex with A Novel and Selective Small Molecule Inhibitor (pdb code 4f9w). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Human P38ALPHA Mapk in Complex with A Novel and Selective Small Molecule Inhibitor, PDB code: 4f9w:

Zinc binding site 1 out of 1 in 4f9w

Go back to Zinc Binding Sites List in 4f9w
Zinc binding site 1 out of 1 in the Human P38ALPHA Mapk in Complex with A Novel and Selective Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human P38ALPHA Mapk in Complex with A Novel and Selective Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn404

b:50.3
occ:0.50
 O A:HOH674 2.0 35.1 0.5
NE2 A:HIS64 2.4 44.8 1.0
O A:ACT405 2.5 50.8 0.5
C A:ACT405 3.0 47.4 0.5
CD2 A:HIS64 3.3 40.5 1.0
CE1 A:HIS64 3.4 42.1 1.0
OXT A:ACT405 3.4 42.6 0.5
CH3 A:ACT405 4.0 42.5 0.5
NH1 A:ARG67 4.2 75.7 1.0
O A:HOH528 4.3 52.9 1.0
CG A:HIS64 4.5 37.2 1.0
ND1 A:HIS64 4.5 39.1 1.0
O A:HOH604 4.9 65.9 1.0

Reference:

D.M.Watterson, V.L.Grum-Tokars, S.M.Roy, J.P.Schavocky, B.D.Bradaric, A.D.Bachstetter, B.Xing, E.Dimayuga, F.Saeed, H.Zhang, A.Staniszewski, J.C.Pelletier, G.Minasov, W.F.Anderson, O.Arancio, L.J.Van Eldik. Development of Novel in Vivo Chemical Probes to Address Cns Protein Kinase Involvement in Synaptic Dysfunction. Plos One V. 8 66226 2013.
ISSN: ESSN 1932-6203
PubMed: 23840427
DOI: 10.1371/JOURNAL.PONE.0066226
Page generated: Wed Dec 16 05:17:13 2020

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