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Chlorine in PDB 2yj8: Cathepsin L with A Nitrile Inhibitor

Enzymatic activity of Cathepsin L with A Nitrile Inhibitor

All present enzymatic activity of Cathepsin L with A Nitrile Inhibitor:
3.4.22.15;

Protein crystallography data

The structure of Cathepsin L with A Nitrile Inhibitor, PDB code: 2yj8 was solved by D.W.Banner, J.M.Benz, W.Haap, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.78 / 1.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.975, 57.265, 76.218, 90.00, 90.00, 90.00
R / Rfree (%) 14.055 / 18.159

Other elements in 2yj8:

The structure of Cathepsin L with A Nitrile Inhibitor also contains other interesting chemical elements:

Iodine (I) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Cathepsin L with A Nitrile Inhibitor (pdb code 2yj8). 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 Cathepsin L with A Nitrile Inhibitor, PDB code: 2yj8:

Chlorine binding site 1 out of 1 in 2yj8

Go back to Chlorine Binding Sites List in 2yj8
Chlorine binding site 1 out of 1 in the Cathepsin L with A Nitrile Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cathepsin L with A Nitrile Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1221

b:31.1
occ:1.00
CL A:YJ81221 0.0 31.1 1.0
C10 A:YJ81221 1.7 21.6 1.0
C11 A:YJ81221 2.6 23.0 1.0
C9 A:YJ81221 2.6 23.7 1.0
H11 A:YJ81221 2.7 22.6 1.0
H4 A:YJ81221 2.8 17.2 1.0
O A:HOH2131 3.0 15.6 1.0
O33 A:YJ81221 3.1 20.5 1.0
S8 A:YJ81221 3.2 19.4 1.0
CE A:MET70 3.4 19.1 1.0
C4 A:YJ81221 3.5 17.4 1.0
CD2 A:LEU69 3.6 19.7 1.0
H A:MET70 3.6 13.2 1.0
SD A:MET70 3.7 15.4 1.0
HA A:LEU69 3.8 15.2 1.0
O A:HOH2267 3.9 19.7 1.0
C12 A:YJ81221 3.9 26.1 1.0
C14 A:YJ81221 3.9 21.8 1.0
CB A:ALA135 4.1 19.0 1.0
HB3 A:LEU69 4.2 16.3 1.0
N A:MET70 4.4 13.8 1.0
O A:HOH2133 4.4 26.6 1.0
H3 A:YJ81221 4.4 17.9 1.0
C13 A:YJ81221 4.4 29.5 1.0
HB2 A:MET70 4.4 11.6 1.0
C3 A:YJ81221 4.5 18.3 1.0
CB A:ALA214 4.5 21.7 1.0
O A:ALA214 4.6 16.7 1.0
CA A:LEU69 4.6 14.4 1.0
O34 A:YJ81221 4.6 22.8 1.0
CB A:LEU69 4.6 16.2 1.0
C5 A:YJ81221 4.7 17.9 1.0
CG A:LEU69 4.7 17.6 1.0
H12 A:YJ81221 4.7 24.8 1.0
H3A A:YJ81221 4.8 18.5 1.0
H5 A:YJ81221 4.8 17.6 1.0
H14 A:YJ81221 4.8 23.5 1.0
HA A:ALA135 4.8 16.4 1.0
H A:ASP71 4.9 14.1 1.0
CA A:ALA135 4.9 17.1 1.0
O A:HOH2132 4.9 24.6 0.5

Reference:

L.A.Hardegger, B.Kuhn, B.Spinnler, L.Anselm, R.Ecabert, M.Stihle, B.Gsell, R.Thoma, J.Diez, J.M.Benz, J.Plancher, G.Hartmann, Y.Isshiki, K.Morikami, N.Shimma, W.Haap, D.W.Banner, F.Diederich. Halogen Bonding at the Active Sites of Human Cathepsin L and MEK1 Kinase: Efficient Interactions in Different Environments. Chemmedchem V. 6 2048 2011.
ISSN: ISSN 1860-7179
PubMed: 21898833
DOI: 10.1002/CMDC.201100353
Page generated: Sat Dec 12 09:29:14 2020

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