Atomistry » Chlorine » PDB 5nkd-5nrx » 5nrf
Atomistry »
  Chlorine »
    PDB 5nkd-5nrx »
      5nrf »

Chlorine in PDB 5nrf: Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound 7I

Enzymatic activity of Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound 7I

All present enzymatic activity of Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound 7I:
3.2.1.14;

Protein crystallography data

The structure of Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound 7I, PDB code: 5nrf was solved by M.Mazur, J.Olczak, S.Olejniczak, R.Koralewski, W.Czestkowski, A.Jedrzejczak, J.Golab, K.Dzwonek, B.Dymek, P.Sklepkiewicz, A.Zagozdzon, T.Noonan, K.Mahboubi, B.Conway, R.Sheeler, P.Beckett, W.M.Hungerford, A.Podjarny, A.Mitschler, A.Cousido-Siah, F.Fadel, A.Golebiowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.93 / 1.45
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 85.644, 105.997, 42.236, 90.00, 90.00, 90.00
R / Rfree (%) 14.4 / 16.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound 7I (pdb code 5nrf). 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 Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound 7I, PDB code: 5nrf:

Chlorine binding site 1 out of 1 in 5nrf

Go back to Chlorine Binding Sites List in 5nrf
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound 7I


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound 7I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:11.5
occ:0.70
 CL7 A:95Q401 0.0 11.5 0.7
C2 A:95Q401 1.8 11.9 1.0
C1 A:95Q401 2.7 11.9 1.0
C3 A:95Q401 2.8 11.8 1.0
CB A:THR295 3.6 12.1 1.0
CB A:MET300 3.6 12.3 0.6
CG2 A:THR295 3.6 12.9 1.0
OG1 A:THR295 3.7 13.0 1.0
CB A:MET300 3.8 16.3 0.4
C6 A:95Q401 4.0 10.9 1.0
C4 A:95Q401 4.1 10.7 1.0
N A:LEU301 4.1 9.7 1.0
N A:ALA302 4.1 9.8 1.0
C A:LEU301 4.1 9.1 1.0
C A:MET300 4.1 10.9 0.4
CD2 A:LEU362 4.1 10.8 1.0
O A:HOH565 4.1 23.7 1.0
C A:MET300 4.2 9.6 0.6
O A:MET300 4.2 10.8 0.4
CA A:LEU301 4.3 9.6 1.0
O A:LEU301 4.5 10.7 1.0
CA A:MET300 4.5 11.1 0.6
O A:MET300 4.6 9.8 0.6
C5 A:95Q401 4.6 10.3 1.0
CG A:MET300 4.6 14.3 0.6
CA A:MET300 4.6 13.0 0.4
CA A:ALA302 4.8 9.6 1.0
O A:HOH517 4.9 12.1 1.0
CB A:TYR267 4.9 9.4 1.0
O A:HOH659 4.9 16.3 1.0
CG A:MET300 4.9 19.1 0.4
CD1 A:LEU362 4.9 10.3 1.0
CE A:MET300 4.9 22.3 0.4
CA A:THR295 5.0 11.8 1.0

Reference:

M.Mazur, J.Olczak, S.Olejniczak, R.Koralewski, W.Czestkowski, A.Jedrzejczak, J.Golab, K.Dzwonek, B.Dymek, P.L.Sklepkiewicz, A.Zagozdzon, T.Noonan, K.Mahboubi, B.Conway, R.Sheeler, P.Beckett, W.M.Hungerford, A.Podjarny, A.Mitschler, A.Cousido-Siah, F.Fadel, A.Golebiowski. Targeting Acidic Mammalian Chitinase Is Effective in Animal Model of Asthma. J. Med. Chem. V. 61 695 2018.
ISSN: ISSN 1520-4804
PubMed: 29283260
DOI: 10.1021/ACS.JMEDCHEM.7B01051
Page generated: Fri Jul 26 13:49:23 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy