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Zinc in PDB 3pz2: Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with BMS3 and Lipid Substrate Ggpp

Enzymatic activity of Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with BMS3 and Lipid Substrate Ggpp

All present enzymatic activity of Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with BMS3 and Lipid Substrate Ggpp:
2.5.1.60;

Protein crystallography data

The structure of Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with BMS3 and Lipid Substrate Ggpp, PDB code: 3pz2 was solved by Z.Guo, R.S.Bon, E.A.Stigter, H.Waldmann, K.Alexandrov, W.Blankenfeldt, R.S.Goody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 66.448, 84.582, 117.973, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 25.6

Other elements in 3pz2:

The structure of Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with BMS3 and Lipid Substrate Ggpp also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with BMS3 and Lipid Substrate Ggpp (pdb code 3pz2). 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 Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with BMS3 and Lipid Substrate Ggpp, PDB code: 3pz2:

Zinc binding site 1 out of 1 in 3pz2

Go back to Zinc Binding Sites List in 3pz2
Zinc binding site 1 out of 1 in the Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with BMS3 and Lipid Substrate Ggpp


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with BMS3 and Lipid Substrate Ggpp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1

b:30.3
occ:1.00
 NE2 B:HIS290 2.0 28.9 1.0
N3 B:3PZ333 2.1 24.6 1.0
OD2 B:ASP238 2.1 23.1 1.0
SG B:CYS240 2.3 28.3 1.0
OD1 B:ASP238 2.6 22.4 1.0
CG B:ASP238 2.7 23.5 1.0
C13 B:3PZ333 3.0 28.6 1.0
CE1 B:HIS290 3.0 30.8 1.0
CD2 B:HIS290 3.0 31.0 1.0
C12 B:3PZ333 3.1 25.7 1.0
CB B:CYS240 3.3 24.5 1.0
C4 B:GRG334 3.8 24.2 1.0
O B:HOH375 3.9 53.2 1.0
CE1 B:PHE289 4.1 27.7 1.0
CB B:ASP238 4.1 25.7 1.0
ND1 B:HIS290 4.1 31.0 1.0
CG B:HIS290 4.2 29.2 1.0
N4 B:3PZ333 4.2 30.2 1.0
N B:CYS240 4.2 23.4 1.0
C11 B:3PZ333 4.2 28.9 1.0
CB B:ASP280 4.3 34.2 1.0
CA B:CYS240 4.3 24.9 1.0
CD1 B:PHE289 4.7 28.2 1.0
O B:HOH451 4.8 48.9 1.0
CA B:ASP280 4.9 34.6 1.0
C3 B:GRG334 4.9 28.3 1.0
CZ B:PHE289 5.0 26.9 1.0

Reference:

R.S.Bon, Z.Guo, E.A.Stigter, S.Wetzel, S.Menninger, A.Wolf, A.Choidas, K.Alexandrov, W.Blankenfeldt, R.S.Goody, H.Waldmann. Structure-Guided Development of Selective Rabggtase Inhibitors. Angew.Chem.Int.Ed.Engl. V. 50 4957 2011.
ISSN: ISSN 1433-7851
PubMed: 21520375
DOI: 10.1002/ANIE.201101210
Page generated: Sat Oct 26 11:49:47 2024

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