Calcium in PDB 4ehm: Rabggtase in Complex with Covalently Bound Psoromic Acid

All present enzymatic activity of Rabggtase in Complex with Covalently Bound Psoromic Acid:
2.5.1.60;

The structure of Rabggtase in Complex with Covalently Bound Psoromic Acid, PDB code: 4ehm was solved by Z.Guo, C.Deraeve, R.S.Bon, K.Alexandrov, H.Waldmann, Y.W.Wu, R.S.Goody, W.Blankenfeldt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.40 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.421, 91.078, 114.725, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 25.1

The structure of Rabggtase in Complex with Covalently Bound Psoromic Acid also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Rabggtase in Complex with Covalently Bound Psoromic Acid (pdb code 4ehm). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Rabggtase in Complex with Covalently Bound Psoromic Acid, PDB code: 4ehm:

Calcium binding site 1 out of 1 in the Rabggtase in Complex with Covalently Bound Psoromic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Rabggtase in Complex with Covalently Bound Psoromic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:61.5 occ:1.00 O B:HIS64 2.3 61.6 1.0 O B:HOH642 2.5 67.2 1.0 O B:HOH640 2.5 76.8 1.0 O B:MET66 2.6 61.5 1.0 C B:HIS64 3.5 61.3 1.0 C B:MET66 3.6 61.3 1.0 N B:MET66 4.1 61.2 1.0 O B:HOH535 4.3 58.2 1.0 C B:ARG65 4.3 61.6 1.0 CA B:HIS64 4.3 62.1 1.0 N B:ARG65 4.4 60.9 1.0 CA B:ASN67 4.4 62.1 1.0 N B:ASN67 4.5 60.9 1.0 CA B:ARG65 4.5 61.6 1.0 CA B:MET66 4.5 60.9 1.0 O B:HOH641 4.6 59.1 1.0 N B:LYS68 4.8 59.9 1.0 O B:ARG65 4.8 61.5 1.0

C.Deraeve, Z.Guo, R.S.Bon, W.Blankenfeldt, R.Dilucrezia, A.Wolf, S.Menninger, E.A.Stigter, S.Wetzel, A.Choidas, K.Alexandrov, H.Waldmann, R.S.Goody, Y.W.Wu. Psoromic Acid Is A Selective and Covalent Rab-Prenylation Inhibitor Targeting Autoinhibited Rabggtase J.Am.Chem.Soc. V. 134 7384 2012.
ISSN: ISSN 0002-7863
PubMed: 22480322
DOI: 10.1021/JA211305J