Chlorine in PDB 3v3v: Structural and Functional Analysis of Quercetagetin, A Natural JNK1 Inhibitor

All present enzymatic activity of Structural and Functional Analysis of Quercetagetin, A Natural JNK1 Inhibitor:
2.7.11.24;

The structure of Structural and Functional Analysis of Quercetagetin, A Natural JNK1 Inhibitor, PDB code: 3v3v was solved by S.Baek, N.J.Kang, G.M.Popowicz, M.Arciniega, S.K.Jung, S.Byun, N.R.Song, Y.S.Heo, B.Y.Kim, H.J.Lee, T.A.Holak, M.Augustin, A.M.Bode, R.Huber, Z.Dong, K.W.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.70
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	172.370, 172.370, 86.040, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 26.6

The binding sites of Chlorine atom in the Structural and Functional Analysis of Quercetagetin, A Natural JNK1 Inhibitor (pdb code 3v3v). 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 Structural and Functional Analysis of Quercetagetin, A Natural JNK1 Inhibitor, PDB code: 3v3v:

Chlorine binding site 1 out of 1 in the Structural and Functional Analysis of Quercetagetin, A Natural JNK1 Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural and Functional Analysis of Quercetagetin, A Natural JNK1 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:67.9 occ:1.00 NH1 A:ARG127 3.4 57.6 1.0 NH2 A:ARG127 3.7 57.6 1.0 CZ A:ARG127 4.0 56.8 1.0

S.Baek, N.J.Kang, G.M.Popowicz, M.Arciniega, S.K.Jung, S.Byun, N.R.Song, Y.S.Heo, B.Y.Kim, H.J.Lee, T.A.Holak, M.Augustin, A.M.Bode, R.Huber, Z.Dong, K.W.Lee. Structural and Functional Analysis of the Natural JNK1 Inhibitor Quercetagetin. J.Mol.Biol. V. 425 411 2013.
ISSN: ISSN 0022-2836
PubMed: 23142567
DOI: 10.1016/J.JMB.2012.10.019