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Chlorine in PDB 4cnp: Structure of the Salmonella Typhi Type I Dehydroquinase Inhibited By A 3-Epiquinic Acid Derivative

Enzymatic activity of Structure of the Salmonella Typhi Type I Dehydroquinase Inhibited By A 3-Epiquinic Acid Derivative

All present enzymatic activity of Structure of the Salmonella Typhi Type I Dehydroquinase Inhibited By A 3-Epiquinic Acid Derivative:
4.2.1.10;

Protein crystallography data

The structure of Structure of the Salmonella Typhi Type I Dehydroquinase Inhibited By A 3-Epiquinic Acid Derivative, PDB code: 4cnp was solved by J.M.Otero, A.L.Llamas-Saiz, M.Maneiro, A.Peon, E.Lence, H.Lamb, A.R.Hawkins, C.Gonzalez-Bello, M.J.Van Raaij, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.17 / 1.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.216, 44.473, 84.702, 90.00, 95.20, 90.00
R / Rfree (%) 13.344 / 16.031

Other elements in 4cnp:

The structure of Structure of the Salmonella Typhi Type I Dehydroquinase Inhibited By A 3-Epiquinic Acid Derivative also contains other interesting chemical elements:

Sodium (Na) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Salmonella Typhi Type I Dehydroquinase Inhibited By A 3-Epiquinic Acid Derivative (pdb code 4cnp). 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 Structure of the Salmonella Typhi Type I Dehydroquinase Inhibited By A 3-Epiquinic Acid Derivative, PDB code: 4cnp:

Chlorine binding site 1 out of 1 in 4cnp

Go back to Chlorine Binding Sites List in 4cnp
Chlorine binding site 1 out of 1 in the Structure of the Salmonella Typhi Type I Dehydroquinase Inhibited By A 3-Epiquinic Acid Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Salmonella Typhi Type I Dehydroquinase Inhibited By A 3-Epiquinic Acid Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1256

b:20.6
occ:1.00
NE B:ARG102 2.6 14.7 0.5
NH2 B:ARG102 2.7 14.3 0.5
CZ B:ARG102 3.0 15.7 0.5
OH B:TYR130 3.3 9.6 1.0
CZ B:TYR130 3.6 8.2 1.0
CD B:ARG102 3.8 11.8 0.5
CB B:ARG102 3.8 7.3 0.5
CB B:ARG102 3.8 7.6 0.5
CE2 B:TYR130 4.0 8.4 1.0
OD2 B:ASP106 4.0 10.4 1.0
CD B:ARG102 4.0 10.9 0.5
CE1 B:TYR130 4.1 9.6 1.0
CG B:ARG102 4.2 9.1 0.5
CG B:ARG102 4.2 9.4 0.5
NH1 B:ARG102 4.2 17.7 0.5
CD2 B:TYR130 4.8 8.2 1.0
CD1 B:TYR130 4.9 9.8 1.0

Reference:

M.Maneiro, A.Peon, E.Lence, J.M.Otero, A.L.Llamas-Saiz, M.J.Van Raaij, H.Lamb, A.R.Hawkins, C.Gonzalez-Bello. Mechanistic Insight Into the Reaction Catalyzed By Type I Dehydroquinase To Be Published.
Page generated: Sat Dec 12 10:30:00 2020

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