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Chlorine in PDB 6hle: X-Ray Structure of Furin in Complex with the P6-P2-Cyclized Peptide H- Lys-Arg-Arg-Tle-Lys-4-Amba

Enzymatic activity of X-Ray Structure of Furin in Complex with the P6-P2-Cyclized Peptide H- Lys-Arg-Arg-Tle-Lys-4-Amba

All present enzymatic activity of X-Ray Structure of Furin in Complex with the P6-P2-Cyclized Peptide H- Lys-Arg-Arg-Tle-Lys-4-Amba:
3.4.21.75;

Protein crystallography data

The structure of X-Ray Structure of Furin in Complex with the P6-P2-Cyclized Peptide H- Lys-Arg-Arg-Tle-Lys-4-Amba, PDB code: 6hle was solved by S.O.Dahms, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.57 / 1.99
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 133.095, 133.095, 157.563, 90.00, 90.00, 120.00
R / Rfree (%) 16.7 / 19.1

Other elements in 6hle:

The structure of X-Ray Structure of Furin in Complex with the P6-P2-Cyclized Peptide H- Lys-Arg-Arg-Tle-Lys-4-Amba also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Furin in Complex with the P6-P2-Cyclized Peptide H- Lys-Arg-Arg-Tle-Lys-4-Amba (pdb code 6hle). 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 X-Ray Structure of Furin in Complex with the P6-P2-Cyclized Peptide H- Lys-Arg-Arg-Tle-Lys-4-Amba, PDB code: 6hle:

Chlorine binding site 1 out of 1 in 6hle

Go back to Chlorine Binding Sites List in 6hle
Chlorine binding site 1 out of 1 in the X-Ray Structure of Furin in Complex with the P6-P2-Cyclized Peptide H- Lys-Arg-Arg-Tle-Lys-4-Amba


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Furin in Complex with the P6-P2-Cyclized Peptide H- Lys-Arg-Arg-Tle-Lys-4-Amba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl607

b:25.5
occ:1.00
 NZ A:LYS449 3.2 21.8 1.0
OH A:TYR571 3.3 25.5 1.0
O A:HOH787 3.6 37.4 1.0
CE A:LYS449 3.8 23.7 1.0
OH A:TYR313 3.9 29.8 1.0
CE1 A:TYR571 3.9 23.8 1.0
CD A:LYS449 3.9 24.1 1.0
CZ A:TYR571 4.1 24.4 1.0
CE2 A:PHE275 4.1 44.6 1.0
O A:HOH990 4.3 24.2 1.0
CZ A:PHE275 4.8 31.9 1.0

Reference:

T.Van Lam Van, T.Ivanova, K.Hardes, M.R.Heindl, R.E.Morty, E.Bottcher-Friebertshauser, I.Lindberg, M.E.Than, S.O.Dahms, T.Steinmetzer. Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem V. 14 673 2019.
ISSN: ESSN 1860-7187
PubMed: 30680958
DOI: 10.1002/CMDC.201800807
Page generated: Sun Jul 28 00:57:06 2024

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