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Calcium in PDB 4b7b: EG5-3

Protein crystallography data

The structure of EG5-3, PDB code: 4b7b was solved by S.K.Talapatra, F.Kozielski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.911 / 2.50
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 81.500, 81.500, 114.921, 90.00, 90.00, 120.00
R / Rfree (%) 17.92 / 25.04

Other elements in 4b7b:

The structure of EG5-3 also contains other interesting chemical elements:

Cadmium (Cd) 11 atoms
Cobalt (Co) 5 atoms
Chlorine (Cl) 10 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the EG5-3 (pdb code 4b7b). 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 EG5-3, PDB code: 4b7b:

Calcium binding site 1 out of 1 in 4b7b

Go back to Calcium Binding Sites List in 4b7b
Calcium binding site 1 out of 1 in the EG5-3


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of EG5-3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1388

b:29.6
occ:1.00
CD A:CD1367 2.6 28.8 1.0
O A:HOH2021 2.8 27.2 1.0
O A:HOH2012 3.4 27.3 1.0
N A:PHE28 3.4 21.3 1.0
O A:HOH2011 3.5 25.4 1.0
O A:HOH2191 3.5 22.0 1.0
O A:ARG26 3.5 20.9 1.0
CG A:PRO338 3.5 21.1 1.0
CB A:PRO338 3.7 20.6 1.0
CA A:PRO27 3.8 23.9 1.0
C A:PRO27 4.1 21.9 1.0
CB A:PHE28 4.1 23.7 1.0
CL A:CL1376 4.1 27.4 1.0
SG A:CYS25 4.3 26.1 1.0
CA A:PHE28 4.3 21.8 1.0
C A:ARG26 4.4 21.5 1.0
CD A:PRO338 4.6 21.5 1.0
N A:PRO27 4.6 22.9 1.0
CD A:CD1366 4.7 29.8 1.0
CB A:PRO27 4.9 22.1 1.0

Reference:

S.K.Talapatra, N.G.Anthony, S.P.Mackay, F.Kozielski. The Mitotic Kinesin EG5 Overcomes Inhibition to the Phase I/II Clinical Candidate SB743921 By An Allosteric Resistance Mechanism. J.Med.Chem. V. 56 6317 2013.
ISSN: ISSN 0022-2623
PubMed: 23875972
DOI: 10.1021/JM4006274
Page generated: Sat Dec 12 04:40:40 2020

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