Atomistry » Chlorine » PDB 4pwl-4q57 » 4pyk
Atomistry »
  Chlorine »
    PDB 4pwl-4q57 »
      4pyk »

Chlorine in PDB 4pyk: Human Comt, Double Domain Swap

Enzymatic activity of Human Comt, Double Domain Swap

All present enzymatic activity of Human Comt, Double Domain Swap:
2.1.1.6;

Protein crystallography data

The structure of Human Comt, Double Domain Swap, PDB code: 4pyk was solved by A.Ehler, J.Benz, D.Schlatter, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.22 / 2.22
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 54.786, 66.825, 128.032, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 24.3

Other elements in 4pyk:

The structure of Human Comt, Double Domain Swap also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Comt, Double Domain Swap (pdb code 4pyk). 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 Human Comt, Double Domain Swap, PDB code: 4pyk:

Chlorine binding site 1 out of 1 in 4pyk

Go back to Chlorine Binding Sites List in 4pyk
Chlorine binding site 1 out of 1 in the Human Comt, Double Domain Swap


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Comt, Double Domain Swap within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:52.0
occ:1.00
O A:HOH444 3.2 41.6 1.0
N A:TYR121 3.3 40.5 1.0
N A:TYR118 3.3 48.4 1.0
N A:GLY120 3.3 45.2 1.0
N A:CYS119 3.5 50.9 1.0
N A:SER122 3.5 41.3 1.0
CB A:TYR118 3.7 52.4 1.0
CB A:TYR121 3.8 40.6 1.0
CA A:TYR118 3.9 49.0 1.0
C A:GLY120 3.9 45.8 1.0
OG A:SER122 3.9 48.9 1.0
CA A:GLY120 3.9 46.5 1.0
CA A:TYR121 4.0 41.9 1.0
C A:TYR118 4.1 53.6 1.0
CB A:SER122 4.2 37.6 1.0
SG A:CYS119 4.2 64.4 1.0
C A:CYS119 4.3 45.7 1.0
C A:TYR121 4.3 41.0 1.0
C A:ALA117 4.3 52.6 1.0
CA A:CYS119 4.4 50.0 1.0
CA A:ALA117 4.4 41.6 1.0
CA A:SER122 4.5 38.2 1.0
NH1 A:ARG251 4.8 58.5 1.0
O A:GLY120 4.9 40.7 1.0
CB A:CYS119 5.0 48.7 1.0
CG A:TYR118 5.0 63.5 1.0

Reference:

A.Ehler, J.Benz, D.Schlatter, M.G.Rudolph. Mapping the Conformational Space Accessible to Catechol-O-Methyltransferase. Acta Crystallogr.,Sect.D V. 70 2163 2014.
ISSN: ISSN 0907-4449
PubMed: 25084335
DOI: 10.1107/S1399004714012917
Page generated: Sat Dec 12 11:04:17 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