Atomistry » Chlorine » PDB 3t4u-3th2 » 3t6i
Atomistry »
  Chlorine »
    PDB 3t4u-3th2 »
      3t6i »

Chlorine in PDB 3t6i: Endothiapepsin in Complex with An Azepin Derivative

Enzymatic activity of Endothiapepsin in Complex with An Azepin Derivative

All present enzymatic activity of Endothiapepsin in Complex with An Azepin Derivative:
3.4.23.22;

Protein crystallography data

The structure of Endothiapepsin in Complex with An Azepin Derivative, PDB code: 3t6i was solved by H.Koester, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.61 / 1.32
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.380, 73.440, 53.260, 90.00, 109.96, 90.00
R / Rfree (%) 12.9 / 14.9

Other elements in 3t6i:

The structure of Endothiapepsin in Complex with An Azepin Derivative also contains other interesting chemical elements:

Bromine (Br) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Endothiapepsin in Complex with An Azepin Derivative (pdb code 3t6i). 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 Endothiapepsin in Complex with An Azepin Derivative, PDB code: 3t6i:

Chlorine binding site 1 out of 1 in 3t6i

Go back to Chlorine Binding Sites List in 3t6i
Chlorine binding site 1 out of 1 in the Endothiapepsin in Complex with An Azepin Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Endothiapepsin in Complex with An Azepin Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl6001

b:14.3
occ:1.00
OG A:SER287 3.0 7.1 1.0
O A:HOH534 3.0 20.5 1.0
CB A:SER287 3.8 7.2 1.0
CD1 A:ILE283 4.0 11.9 1.0
CG1 A:ILE283 4.5 10.2 1.0
OG A:SER289 4.5 10.4 0.6
CB A:SER289 4.6 8.0 0.4
CA A:SER287 4.7 6.5 1.0
CB A:SER289 4.7 9.1 0.6
O A:HOH670 5.0 34.4 1.0

Reference:

H.Koester, A.Heine, W.E.Diederich, G.Klebe. Endothiapepsin in Complex with An Azepin Derivative To Be Published.
Page generated: Sat Dec 12 10:11:35 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy