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Chlorine in PDB 6n3o: Identification of Novel, Potent and Selective GCN2 Inhibitors As First-in-Class Anti-Tumor Agents

Enzymatic activity of Identification of Novel, Potent and Selective GCN2 Inhibitors As First-in-Class Anti-Tumor Agents

All present enzymatic activity of Identification of Novel, Potent and Selective GCN2 Inhibitors As First-in-Class Anti-Tumor Agents:
2.7.11.1;

Protein crystallography data

The structure of Identification of Novel, Potent and Selective GCN2 Inhibitors As First-in-Class Anti-Tumor Agents, PDB code: 6n3o was solved by I.D.Hoffman, J.Fujimoto, O.Kurasawa, T.Takagi, M.G.Klein, G.Kefala, S.C.Ding, D.R.Cary, R.Mizojiri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 2.40
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 82.899, 82.899, 193.702, 90.00, 90.00, 120.00
R / Rfree (%) 19.9 / 25.4

Other elements in 6n3o:

The structure of Identification of Novel, Potent and Selective GCN2 Inhibitors As First-in-Class Anti-Tumor Agents also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Identification of Novel, Potent and Selective GCN2 Inhibitors As First-in-Class Anti-Tumor Agents (pdb code 6n3o). 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 Identification of Novel, Potent and Selective GCN2 Inhibitors As First-in-Class Anti-Tumor Agents, PDB code: 6n3o:

Chlorine binding site 1 out of 1 in 6n3o

Go back to Chlorine Binding Sites List in 6n3o
Chlorine binding site 1 out of 1 in the Identification of Novel, Potent and Selective GCN2 Inhibitors As First-in-Class Anti-Tumor Agents


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Identification of Novel, Potent and Selective GCN2 Inhibitors As First-in-Class Anti-Tumor Agents within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2500

b:59.2
occ:1.00
 CL A:KA72500 0.0 59.2 1.0
C15 A:KA72500 1.7 53.9 1.0
C8 A:KA72500 2.7 55.0 1.0
C5 A:KA72500 2.7 52.2 1.0
CE1 A:TYR651 3.6 52.4 1.0
CD1 A:TYR651 3.6 50.0 1.0
CG2 A:ILE800 3.8 53.9 1.0
CG1 A:VAL637 3.9 61.9 1.0
C14 A:KA72500 4.0 54.8 1.0
N19 A:KA72500 4.0 53.7 1.0
O A:VAL637 4.0 61.8 1.0
CA A:VAL637 4.0 63.7 1.0
CB A:VAL637 4.3 64.7 1.0
CG2 A:VAL637 4.3 66.1 1.0
CB A:LEU640 4.3 62.5 1.0
CD1 A:ILE800 4.4 72.3 1.0
C16 A:KA72500 4.5 53.5 1.0
N A:SER641 4.5 57.5 1.0
CZ A:TYR651 4.5 54.2 1.0
C A:VAL637 4.6 67.3 1.0
CG A:TYR651 4.6 47.9 1.0
CG1 A:ILE800 4.7 61.9 1.0
C A:LEU640 4.8 59.5 1.0
CA A:SER641 4.9 58.0 1.0
CB A:ILE800 4.9 56.3 1.0
CD1 A:LEU640 4.9 70.4 1.0
CD2 A:LEU869 4.9 67.5 1.0
CB A:SER641 5.0 58.1 1.0

Reference:

J.Fujimoto, O.Kurasawa, T.Takagi, X.Liu, H.Banno, T.Kojima, Y.Asano, A.Nakamura, T.Nambu, A.Hata, T.Ishii, T.Sameshima, Y.Debori, M.Miyamoto, M.G.Klein, R.Tjhen, B.C.Sang, I.Levin, S.W.Lane, G.P.Snell, K.Li, G.Kefala, I.D.Hoffman, S.C.Ding, D.R.Cary, R.Mizojiri. Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode. Acs Med.Chem.Lett. V. 10 1498 2019.
ISSN: ISSN 1948-5875
PubMed: 31620240
DOI: 10.1021/ACSMEDCHEMLETT.9B00400
Page generated: Sun Jul 28 03:30:29 2024

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