Chlorine in PDB 6hjk: Crystal Structure of Aurora-A L210C Catalytic Domain in Complex with ASDO2

Enzymatic activity of Crystal Structure of Aurora-A L210C Catalytic Domain in Complex with ASDO2

All present enzymatic activity of Crystal Structure of Aurora-A L210C Catalytic Domain in Complex with ASDO2:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Aurora-A L210C Catalytic Domain in Complex with ASDO2, PDB code: 6hjk was solved by R.Bayliss, P.J.Mcintyre, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 76.88 / 2.40
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.769, 88.769, 77.280, 90.00, 90.00, 120.00
R / Rfree (%) 21.7 / 25.2

Other elements in 6hjk:

The structure of Crystal Structure of Aurora-A L210C Catalytic Domain in Complex with ASDO2 also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Aurora-A L210C Catalytic Domain in Complex with ASDO2 (pdb code 6hjk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Aurora-A L210C Catalytic Domain in Complex with ASDO2, PDB code: 6hjk:

Chlorine binding site 1 out of 1 in 6hjk

Go back to Chlorine Binding Sites List in 6hjk
Chlorine binding site 1 out of 1 in the Crystal Structure of Aurora-A L210C Catalytic Domain in Complex with ASDO2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Aurora-A L210C Catalytic Domain in Complex with ASDO2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:0.5
occ:1.00
O A:ARG343 3.9 52.2 1.0
C A:ARG343 4.3 53.2 1.0
CG2 A:VAL344 4.3 51.5 1.0
O A:HOH614 4.3 62.8 1.0
CB A:HIS366 4.4 50.8 1.0
CB A:VAL344 4.5 51.4 1.0
CA A:ARG343 4.6 49.7 1.0
CG A:HIS366 4.8 57.9 1.0
O A:SER342 4.9 52.3 1.0
CD2 A:HIS366 4.9 58.1 1.0
N A:VAL344 4.9 49.6 1.0

Reference:

C.A.Ocasio, A.A.Warkentin, P.J.Mcintyre, K.J.Barkovich, C.Vesely, J.Spencer, K.M.Shokat, R.Bayliss. Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases. Acs Chem. Biol. V. 13 2956 2018.
ISSN: ESSN 1554-8937
PubMed: 30239186
DOI: 10.1021/ACSCHEMBIO.8B00592
Page generated: Sat Dec 12 13:05:08 2020

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