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Calcium in PDB 3pz3: Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with Bms-Analogue 14

Enzymatic activity of Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with Bms-Analogue 14

All present enzymatic activity of Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with Bms-Analogue 14:
2.5.1.60;

Protein crystallography data

The structure of Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with Bms-Analogue 14, PDB code: 3pz3 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) 20.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 66.732, 91.332, 114.652, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 22.4

Other elements in 3pz3:

The structure of Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with Bms-Analogue 14 also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with Bms-Analogue 14 (pdb code 3pz3). 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 Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with Bms-Analogue 14, PDB code: 3pz3:

Calcium binding site 1 out of 1 in 3pz3

Go back to Calcium Binding Sites List in 3pz3
Calcium binding site 1 out of 1 in the Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with Bms-Analogue 14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Rabggtase(Delta Lrr; Delta Ig) in Complex with Bms-Analogue 14 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca332

b:82.5
occ:1.00
 O B:MET66 2.2 47.5 1.0
O B:HIS64 2.3 50.1 1.0
C B:MET66 3.4 47.5 1.0
C B:HIS64 3.5 49.6 1.0
N B:MET66 4.0 48.0 1.0
C B:ARG65 4.2 48.7 1.0
CA B:ASN67 4.2 48.4 1.0
N B:ASN67 4.2 47.3 1.0
O B:HOH401 4.3 54.3 1.0
CA B:MET66 4.3 47.3 1.0
N B:ARG65 4.4 49.3 1.0
CA B:HIS64 4.4 49.9 1.0
CA B:ARG65 4.5 49.4 1.0
N B:LYS68 4.5 47.4 1.0
O B:ARG65 4.7 48.0 1.0
C B:ASN67 5.0 47.4 1.0
O B:LEU63 5.0 47.9 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 Jul 13 17:01:29 2024

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