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Chlorine in PDB 4alv: Benzofuropyrimidinone Inhibitors of Pim-1

Enzymatic activity of Benzofuropyrimidinone Inhibitors of Pim-1

All present enzymatic activity of Benzofuropyrimidinone Inhibitors of Pim-1:
2.7.1.37; 2.7.11.1;

Protein crystallography data

The structure of Benzofuropyrimidinone Inhibitors of Pim-1, PDB code: 4alv was solved by T.J.Stout, L.Adams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.45 / 2.59
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 96.872, 96.872, 80.844, 90.00, 90.00, 120.00
R / Rfree (%) 19.163 / 25.554

Other elements in 4alv:

The structure of Benzofuropyrimidinone Inhibitors of Pim-1 also contains other interesting chemical elements:

Bromine (Br) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Benzofuropyrimidinone Inhibitors of Pim-1 (pdb code 4alv). 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 Benzofuropyrimidinone Inhibitors of Pim-1, PDB code: 4alv:

Chlorine binding site 1 out of 1 in 4alv

Go back to Chlorine Binding Sites List in 4alv
Chlorine binding site 1 out of 1 in the Benzofuropyrimidinone Inhibitors of Pim-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Benzofuropyrimidinone Inhibitors of Pim-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1308

b:51.4
occ:1.00
CL1 A:R9P1308 0.0 51.4 1.0
C18 A:R9P1308 1.7 51.0 1.0
C17 A:R9P1308 2.6 52.0 1.0
C7 A:R9P1308 2.7 52.6 1.0
C6 A:R9P1308 3.0 52.7 1.0
N4 A:R9P1308 3.1 52.9 1.0
CG1 A:VAL52 3.2 41.3 0.5
CA A:GLY45 3.6 50.7 1.0
O A:HOH2015 3.7 37.7 1.0
C A:GLY45 3.7 51.3 1.0
N A:GLY45 3.8 50.4 1.0
O A:GLY45 3.9 50.9 1.0
CE2 A:PHE49 3.9 60.0 1.0
C8 A:R9P1308 3.9 50.8 1.0
C10 A:R9P1308 4.0 51.0 1.0
CG2 A:VAL52 4.0 41.0 0.5
CB A:VAL52 4.0 41.0 1.0
C A:LEU44 4.0 50.4 1.0
N1 A:R9P1308 4.1 53.7 1.0
O A:LEU44 4.2 50.7 1.0
C19 A:R9P1308 4.2 53.2 1.0
CG2 A:VAL52 4.3 41.1 0.5
N A:SER46 4.4 52.8 1.0
C9 A:R9P1308 4.5 50.4 1.0
CB A:LEU44 4.5 50.7 1.0
CD2 A:PHE49 4.6 60.6 1.0
CZ A:PHE49 4.8 60.0 1.0
CG1 A:VAL52 4.8 40.3 0.5
CA A:LEU44 4.9 50.9 1.0
N2 A:R9P1308 4.9 50.8 1.0

Reference:

A.L.Tsuhako, D.S.Brown, E.S.Koltun, N.Aay, A.Arcalas, V.Chan, H.Du, S.Engst, M.Franzini, A.Galan, P.Huang, S.Johnston, B.Kane, M.H.Kim, A.D.Laird, R.Lin, L.Mock, I.Ngan, M.Pack, G.Stott, T.J.Stout, P.Yu, C.Zaharia, W.Zhang, P.Zhou, J.M.Nuss, P.C.Kearney, W.Xu. The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett. V. 22 3732 2012.
ISSN: ISSN 0960-894X
PubMed: 22542012
DOI: 10.1016/J.BMCL.2012.04.025
Page generated: Sat Dec 12 10:23:54 2020

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