Sodium in PDB 6rch: Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor

All present enzymatic activity of Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor:
2.7.11.1; 2.7.11.26;

The structure of Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor, PDB code: 6rch was solved by A.Chaikuad, C.H.Arrowsmith, A.M.Edwards, C.Bountra, W.R.Roush, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	86.62 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.106, 74.072, 88.967, 90.00, 103.18, 90.00
R / Rfree (%)	15.5 / 17.8

The structure of Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Sodium atom in the Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor (pdb code 6rch). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor, PDB code: 6rch:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Na309 b:19.5 occ:1.00 O A:HOH515 2.2 16.9 1.0 O A:HOH712 2.3 14.8 1.0 OG A:SER198 2.4 6.7 1.0 O A:HOH520 2.4 13.1 1.0 O A:ASP194 2.7 6.1 1.0 O A:HOH618 3.2 17.2 1.0 C A:ASP194 3.3 5.9 1.0 CB A:SER198 3.4 6.1 1.0 N A:ASP195 3.8 5.8 1.0 CB A:ASP194 3.9 6.3 1.0 CA A:ASP195 3.9 5.8 1.0 OE1 A:GLN190 4.0 10.9 1.0 O A:HOH559 4.1 21.0 1.0 CA A:ASP194 4.1 6.1 1.0 OD1 A:ASP195 4.3 6.5 1.0 N A:SER181 4.4 6.7 1.0 CA A:SER198 4.5 6.0 1.0 N A:SER198 4.5 5.8 1.0 C A:ASP195 4.7 5.6 1.0 O A:TYR179 4.7 7.6 1.0 CB A:SER181 4.8 6.8 1.0 OG1 A:THR184 4.8 9.2 1.0 O A:ASP195 4.8 5.6 1.0 CD A:GLN190 4.9 9.6 1.0 CA A:ALA180 4.9 6.8 1.0 OG A:SER181 4.9 7.0 1.0 CA A:ARG127 5.0 7.0 1.0 O A:HOH543 5.0 17.3 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Na306 b:22.6 occ:1.00 O B:TYR286 2.2 14.8 1.0 ND2 B:ASN143 2.4 16.2 1.0 OD1 B:ASN291 2.5 17.9 1.0 O B:HOH673 2.7 22.6 1.0 O B:HOH674 2.9 32.7 1.0 CG B:ASN291 3.3 18.4 1.0 C B:TYR286 3.4 14.9 1.0 CG B:ASN143 3.5 16.6 1.0 ND2 B:ASN291 3.7 18.8 1.0 CD2 B:PHE288 3.7 13.1 1.0 OD1 B:ASN143 4.0 21.6 1.0 CE2 B:PHE288 4.1 12.9 1.0 CA B:VAL287 4.1 14.7 1.0 N B:VAL287 4.2 14.7 1.0 CB B:TYR286 4.2 17.7 1.0 N B:PHE288 4.3 12.8 1.0 CA B:TYR286 4.4 16.2 1.0 CB B:ASN291 4.6 18.7 1.0 CB B:ASN143 4.7 14.6 1.0 C B:VAL287 4.8 13.8 1.0 CG B:PHE288 4.8 11.8 1.0 CA B:ASN143 5.0 13.1 1.0

A.Chaikuad, C.H.Arrowsmith, A.M.Edwards, C.Bountra, W.R.Roush, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor To Be Published.