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Chlorine in PDB 4yf6: Crystal Structure of Oxidised RV1284

Enzymatic activity of Crystal Structure of Oxidised RV1284

All present enzymatic activity of Crystal Structure of Oxidised RV1284:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Oxidised RV1284, PDB code: 4yf6 was solved by A.Hofmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.39 / 3.00
Space group F 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.068, 153.947, 157.174, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 26

Other elements in 4yf6:

The structure of Crystal Structure of Oxidised RV1284 also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Oxidised RV1284 (pdb code 4yf6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Oxidised RV1284, PDB code: 4yf6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4yf6

Go back to Chlorine Binding Sites List in 4yf6
Chlorine binding site 1 out of 2 in the Crystal Structure of Oxidised RV1284


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 Oxidised RV1284 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:37.0
occ:1.00
NH1 B:ARG57 2.9 6.0 1.0
NH1 A:ARG57 3.0 8.6 1.0
CD A:ARG57 3.5 8.6 1.0
CD B:ARG57 3.8 6.0 1.0
CG1 B:VAL55 3.9 5.2 1.0
CZ B:ARG57 4.0 6.0 1.0
CZ A:ARG57 4.0 8.6 1.0
CG1 A:VAL55 4.1 5.0 1.0
NE A:ARG57 4.2 8.6 1.0
CD1 B:TYR43 4.4 10.6 1.0
NE B:ARG57 4.4 6.0 1.0
CB B:VAL55 4.5 5.2 1.0
CE1 B:TYR43 4.5 10.6 1.0
CB A:VAL42 4.5 8.4 1.0
CG A:ARG57 4.7 8.6 1.0
CD1 A:TYR43 4.7 5.8 1.0
CB A:VAL55 4.8 5.0 1.0
CG2 A:VAL42 4.8 8.4 1.0
CG2 B:VAL55 4.8 5.2 1.0
N A:VAL42 4.9 20.9 1.0
CB B:VAL42 5.0 4.0 1.0

Chlorine binding site 2 out of 2 in 4yf6

Go back to Chlorine Binding Sites List in 4yf6
Chlorine binding site 2 out of 2 in the Crystal Structure of Oxidised RV1284


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Oxidised RV1284 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:37.0
occ:1.00
NH1 D:ARG57 2.8 5.4 1.0
NH1 C:ARG57 3.0 7.9 1.0
CD D:ARG57 3.8 5.4 1.0
CG1 D:VAL55 3.9 9.9 1.0
CD C:ARG57 3.9 7.9 1.0
CZ D:ARG57 3.9 5.4 1.0
CZ C:ARG57 4.2 7.9 1.0
NE D:ARG57 4.3 5.4 1.0
CD1 D:TYR43 4.3 10.8 1.0
CG1 C:VAL55 4.4 16.0 1.0
CD1 C:TYR43 4.5 25.5 1.0
CB D:VAL42 4.5 7.6 1.0
NE C:ARG57 4.5 7.9 1.0
CE1 D:TYR43 4.7 10.8 1.0
CB D:VAL55 4.7 9.9 1.0
CB C:VAL42 4.8 7.7 1.0
CG D:ARG57 4.9 5.4 1.0
CE1 C:TYR43 4.9 25.5 1.0
N D:VAL42 5.0 28.5 1.0

Reference:

L.Nienaber, E.Cave-Freeman, M.Cross, L.Mason, U.M.Bailey, P.Amani, R.Davis, P.Taylor, A.Hofmann. Chemical Probing Suggests Redox-Regulation of the Carbonic Anhydrase Activity of Mycobacterial RV1284. Febs J. 2015.
ISSN: ISSN 1742-464X
PubMed: 25929542
DOI: 10.1111/FEBS.13313
Page generated: Sat Dec 12 11:25:30 2020

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