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Chlorine in PDB 5mim: Xray Structure of Human Furin Bound with the 2,5-Dideoxystreptamine Derived Small Molecule Inhibitor 1N

Enzymatic activity of Xray Structure of Human Furin Bound with the 2,5-Dideoxystreptamine Derived Small Molecule Inhibitor 1N

All present enzymatic activity of Xray Structure of Human Furin Bound with the 2,5-Dideoxystreptamine Derived Small Molecule Inhibitor 1N:
3.4.21.75;

Protein crystallography data

The structure of Xray Structure of Human Furin Bound with the 2,5-Dideoxystreptamine Derived Small Molecule Inhibitor 1N, PDB code: 5mim was solved by S.O.Dahms, J.Guan-Sheng, M.E.Than, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.69 / 1.90
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 132.204, 132.204, 155.727, 90.00, 90.00, 120.00
R / Rfree (%) 16.5 / 18.4

Other elements in 5mim:

The structure of Xray Structure of Human Furin Bound with the 2,5-Dideoxystreptamine Derived Small Molecule Inhibitor 1N also contains other interesting chemical elements:

Calcium (Ca) 3 atoms
Sodium (Na) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Xray Structure of Human Furin Bound with the 2,5-Dideoxystreptamine Derived Small Molecule Inhibitor 1N (pdb code 5mim). 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 Xray Structure of Human Furin Bound with the 2,5-Dideoxystreptamine Derived Small Molecule Inhibitor 1N, PDB code: 5mim:

Chlorine binding site 1 out of 1 in 5mim

Go back to Chlorine Binding Sites List in 5mim
Chlorine binding site 1 out of 1 in the Xray Structure of Human Furin Bound with the 2,5-Dideoxystreptamine Derived Small Molecule Inhibitor 1N


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Xray Structure of Human Furin Bound with the 2,5-Dideoxystreptamine Derived Small Molecule Inhibitor 1N within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl608

b:20.5
occ:1.00
 NZ A:LYS449 3.1 14.0 1.0
OH A:TYR571 3.3 19.2 1.0
O A:HOH764 3.4 26.6 1.0
OH A:TYR313 3.7 23.6 1.0
CE A:LYS449 3.7 15.3 1.0
CD A:LYS449 3.8 18.7 1.0
CE1 A:TYR571 3.9 18.3 1.0
CZ A:TYR571 4.0 14.2 1.0
CE2 A:PHE275 4.3 20.1 0.5
O A:HOH969 4.7 17.1 1.0
CZ A:TYR313 5.0 18.8 1.0

Reference:

S.O.Dahms, G.S.Jiao, M.E.Than. Structural Studies Revealed Active Site Distortions of Human Furin By A Small Molecule Inhibitor. Acs Chem. Biol. V. 12 1211 2017.
ISSN: ESSN 1554-8937
PubMed: 28402100
DOI: 10.1021/ACSCHEMBIO.6B01110
Page generated: Sat Dec 12 12:06:22 2020

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