Fluorine in PDB 4fzf: Crystal Structure of MST4-MO25 Complex with Dki

All present enzymatic activity of Crystal Structure of MST4-MO25 Complex with Dki:
2.7.11.1;

The structure of Crystal Structure of MST4-MO25 Complex with Dki, PDB code: 4fzf was solved by Z.B.Shi, Z.C.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.85 / 3.64
Space group	I 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	239.464, 239.464, 239.464, 90.00, 90.00, 90.00
R / Rfree (%)	25.2 / 30.9

The binding sites of Fluorine atom in the Crystal Structure of MST4-MO25 Complex with Dki (pdb code 4fzf). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of MST4-MO25 Complex with Dki, PDB code: 4fzf:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of MST4-MO25 Complex with Dki


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of MST4-MO25 Complex with Dki within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:78.9 occ:1.00 FAF B:DKI301 0.0 78.9 1.0 CAU B:DKI301 1.3 82.0 1.0 CAI B:DKI301 2.3 83.8 1.0 CAZ B:DKI301 2.5 81.7 1.0 NAQ B:DKI301 3.0 78.5 1.0 CA B:GLY31 3.3 90.3 1.0 CAH B:DKI301 3.6 86.4 1.0 CAV B:DKI301 3.8 82.3 1.0 NAP B:DKI301 3.9 67.9 1.0 CAS B:DKI301 4.0 73.9 1.0 O B:GLY31 4.0 0.1 1.0 CAK B:DKI301 4.1 69.6 1.0 CAM B:DKI301 4.1 72.7 1.0 C B:GLY31 4.2 0.7 1.0 CAJ B:DKI301 4.2 84.2 1.0 N B:GLY31 4.2 80.0 1.0 CG1 B:ILE30 4.2 71.0 1.0 NBA B:DKI301 4.4 69.6 1.0 CD1 B:ILE30 4.5 71.2 1.0 C B:ILE30 4.8 74.3 1.0 FAG B:DKI301 4.9 83.2 1.0 CD2 B:LEU151 5.0 51.6 1.0 O B:ILE30 5.0 71.7 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of MST4-MO25 Complex with Dki


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of MST4-MO25 Complex with Dki within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:83.2 occ:1.00 FAG B:DKI301 0.0 83.2 1.0 CAV B:DKI301 1.3 82.3 1.0 CAJ B:DKI301 2.3 84.2 1.0 CAZ B:DKI301 2.5 81.7 1.0 SAE B:DKI301 2.7 77.1 1.0 NAQ B:DKI301 2.9 78.5 1.0 CD2 B:PHE163 3.1 65.6 1.0 CAS B:DKI301 3.2 73.9 1.0 CAH B:DKI301 3.6 86.4 1.0 CB B:PHE163 3.7 62.7 1.0 CB B:ALA161 3.7 53.0 1.0 CG B:PHE163 3.8 65.2 1.0 CAU B:DKI301 3.8 82.0 1.0 CE2 B:PHE163 4.0 67.4 1.0 CAI B:DKI301 4.2 83.8 1.0 NBA B:DKI301 4.6 69.6 1.0 N B:PHE163 4.7 60.3 1.0 CA B:ALA161 4.7 53.4 1.0 CA B:PHE163 4.8 62.7 1.0 FAF B:DKI301 4.9 78.9 1.0 C B:ALA161 5.0 55.0 1.0

Z.Shi, S.Jiao, Z.Zhang, M.Ma, Z.Zhang, C.Chen, K.Wang, H.Wang, W.Wang, L.Zhang, Y.Zhao, Z.Zhou. Structure of the MST4 in Complex with MO25 Provides Insights Into Its Activation Mechanism Structure V. 21 449 2013.
ISSN: ISSN 0969-2126
PubMed: 23434407
DOI: 10.1016/J.STR.2013.01.007