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Calcium in PDB 3hxf: Engineered Rabggtase in Complex with A Peptidomimetic Inhibitor (Compound 32)

Enzymatic activity of Engineered Rabggtase in Complex with A Peptidomimetic Inhibitor (Compound 32)

All present enzymatic activity of Engineered Rabggtase in Complex with A Peptidomimetic Inhibitor (Compound 32):
2.5.1.60;

Protein crystallography data

The structure of Engineered Rabggtase in Complex with A Peptidomimetic Inhibitor (Compound 32), PDB code: 3hxf was solved by Z.Guo, K.Alexandrov, H.Waldmann, 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 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 66.720, 90.865, 114.565, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 21.2

Other elements in 3hxf:

The structure of Engineered Rabggtase in Complex with A Peptidomimetic Inhibitor (Compound 32) also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Engineered Rabggtase in Complex with A Peptidomimetic Inhibitor (Compound 32) (pdb code 3hxf). 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 Engineered Rabggtase in Complex with A Peptidomimetic Inhibitor (Compound 32), PDB code: 3hxf:

Calcium binding site 1 out of 1 in 3hxf

Go back to Calcium Binding Sites List in 3hxf
Calcium binding site 1 out of 1 in the Engineered Rabggtase in Complex with A Peptidomimetic Inhibitor (Compound 32)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Engineered Rabggtase in Complex with A Peptidomimetic Inhibitor (Compound 32) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca333

b:29.9
occ:1.00
 O B:HOH399 2.4 39.8 1.0
O B:HIS64 2.4 26.1 1.0
O B:MET66 2.4 27.4 1.0
C B:HIS64 3.5 26.9 1.0
C B:MET66 3.6 28.8 1.0
N B:MET66 4.1 27.9 1.0
C B:ARG65 4.2 27.9 1.0
CA B:HIS64 4.3 27.6 1.0
O B:HOH336 4.4 36.9 1.0
CA B:ASN67 4.4 29.4 1.0
N B:ARG65 4.4 26.3 1.0
N B:ASN67 4.5 28.9 1.0
CA B:ARG65 4.5 27.3 1.0
CA B:MET66 4.5 26.8 1.0
O B:ARG65 4.7 28.6 1.0
N B:LYS68 4.7 26.7 1.0
O B:HOH411 4.7 42.9 1.0
CB B:HIS64 5.0 28.7 1.0

Reference:

K.T.Tan, E.Guiu-Rozas, R.S.Bon, Z.Guo, C.Delon, S.Wetzel, S.Arndt, K.Alexandrov, H.Waldmann, R.S.Goody, Y.W.Wu, W.Blankenfeldt. Design, Synthesis, and Characterization of Peptide-Based Rab Geranylgeranyl Transferase Inhibitors J.Med.Chem. V. 52 8025 2009.
ISSN: ISSN 0022-2623
PubMed: 19894725
DOI: 10.1021/JM901117D
Page generated: Sat Dec 12 04:14:47 2020

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