Chlorine in PDB 6f8n: Key Residues Affecting Transglycosylation Activity in Family 18 Chitinases - Insights Into Donor and Acceptor Subsites

The structure of Key Residues Affecting Transglycosylation Activity in Family 18 Chitinases - Insights Into Donor and Acceptor Subsites, PDB code: 6f8n was solved by J.Madhuprakash, B.Dalhus, T.Swaroopa Rani, A.R.Podile, V.G.H.Eijsink, M.Sorlie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.96 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	128.840, 87.570, 75.390, 90.00, 115.49, 90.00
R / Rfree (%)	17.5 / 20.9

The binding sites of Chlorine atom in the Key Residues Affecting Transglycosylation Activity in Family 18 Chitinases - Insights Into Donor and Acceptor Subsites (pdb code 6f8n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Key Residues Affecting Transglycosylation Activity in Family 18 Chitinases - Insights Into Donor and Acceptor Subsites, PDB code: 6f8n:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Key Residues Affecting Transglycosylation Activity in Family 18 Chitinases - Insights Into Donor and Acceptor Subsites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Key Residues Affecting Transglycosylation Activity in Family 18 Chitinases - Insights Into Donor and Acceptor Subsites within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:20.6 occ:1.00 O A:HOH1049 2.2 20.6 1.0 OH A:TYR371 3.5 18.1 1.0 ND2 A:ASN373 3.5 15.0 1.0 CD1 A:LEU336 3.9 18.9 1.0 CB A:ASN373 3.9 12.5 1.0 CG A:ASN373 4.2 14.9 1.0 CE2 A:TYR371 4.4 14.3 1.0 CZ A:TYR371 4.4 17.2 1.0 CD2 A:LEU336 4.6 17.2 1.0 CG A:LEU336 4.9 15.4 1.0

Chlorine binding site 2 out of 2 in the Key Residues Affecting Transglycosylation Activity in Family 18 Chitinases - Insights Into Donor and Acceptor Subsites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Key Residues Affecting Transglycosylation Activity in Family 18 Chitinases - Insights Into Donor and Acceptor Subsites within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:18.1 occ:1.00 O B:HOH970 2.3 19.9 1.0 OH B:TYR371 3.4 14.8 1.0 ND2 B:ASN373 3.6 12.6 1.0 CB B:ASN373 4.0 11.0 1.0 CD1 B:LEU336 4.0 16.7 1.0 CE2 B:TYR371 4.3 13.8 1.0 CG B:ASN373 4.3 12.2 1.0 CZ B:TYR371 4.3 16.0 1.0 CD2 B:LEU336 4.6 15.2 1.0 CG B:LEU336 4.9 16.7 1.0

J.Madhuprakash, B.Dalhus, T.S.Rani, A.R.Podile, V.G.H.Eijsink, M.Sorlie. Key Residues Affecting Transglycosylation Activity in Family 18 Chitinases: Insights Into Donor and Acceptor Subsites. Biochemistry V. 57 4325 2018.
ISSN: ISSN 1520-4995
PubMed: 29939724
DOI: 10.1021/ACS.BIOCHEM.8B00381