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Chlorine in PDB 4yf5: Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH

Enzymatic activity of Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH

All present enzymatic activity of Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH, PDB code: 4yf5 was solved by A.Hofmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.56 / 2.00
Space group F 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 103.289, 153.932, 159.098, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 26

Other elements in 4yf5:

The structure of Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH (pdb code 4yf5). 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 RV1284 in the Presence of Polycarpine at Acidic pH, PDB code: 4yf5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4yf5

Go back to Chlorine Binding Sites List in 4yf5
Chlorine binding site 1 out of 2 in the Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH


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 RV1284 in the Presence of Polycarpine at Acidic pH within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:26.6
occ:1.00
NH1 B:ARG57 3.1 18.6 1.0
NH1 A:ARG57 3.1 26.1 1.0
O B:HOH238 3.2 29.9 1.0
O A:HOH335 3.3 29.1 1.0
CD A:ARG57 3.6 22.9 1.0
CD B:ARG57 3.7 26.1 1.0
CG1 A:VAL55 4.1 14.8 1.0
CZ B:ARG57 4.1 24.0 1.0
CZ A:ARG57 4.2 24.3 1.0
CG1 B:VAL55 4.3 19.3 1.0
NE B:ARG57 4.3 28.1 1.0
NE A:ARG57 4.3 28.2 1.0
CB A:VAL42 4.5 25.8 1.0
CD1 A:TYR43 4.5 20.2 1.0
CD1 B:TYR43 4.6 26.2 1.0
CB A:VAL55 4.7 20.2 1.0
CB B:VAL42 4.7 31.5 1.0
CG A:ARG57 4.8 22.6 1.0
CE1 A:TYR43 4.8 30.7 1.0
CG2 A:VAL42 4.9 17.3 1.0
CE1 B:TYR43 4.9 29.0 1.0
CB B:VAL55 4.9 23.3 1.0
CG B:ARG57 5.0 22.6 1.0
CG2 B:VAL42 5.0 27.1 1.0

Chlorine binding site 2 out of 2 in 4yf5

Go back to Chlorine Binding Sites List in 4yf5
Chlorine binding site 2 out of 2 in the Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH


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 RV1284 in the Presence of Polycarpine at Acidic pH within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:30.7
occ:1.00
NH1 D:ARG57 3.1 23.0 1.0
NH1 C:ARG57 3.1 22.0 1.0
O C:HOH336 3.3 23.1 1.0
O D:HOH226 3.3 27.4 1.0
CD D:ARG57 3.6 25.1 1.0
CD C:ARG57 3.8 29.1 1.0
CG1 D:VAL55 4.1 14.2 1.0
CG1 C:VAL55 4.2 16.4 1.0
CZ D:ARG57 4.2 24.6 1.0
CZ C:ARG57 4.2 28.3 1.0
NE D:ARG57 4.4 32.1 1.0
CD1 C:TYR43 4.4 26.1 1.0
CD1 D:TYR43 4.5 24.2 1.0
NE C:ARG57 4.5 28.0 1.0
CB D:VAL42 4.6 23.3 1.0
CE1 C:TYR43 4.6 25.9 1.0
CB C:VAL42 4.7 26.7 1.0
CB D:VAL55 4.8 21.4 1.0
CE1 D:TYR43 4.8 26.1 1.0
CG D:ARG57 4.9 25.4 1.0
CB C:VAL55 4.9 19.9 1.0
N D:VAL42 5.0 30.5 1.0
CG2 C:VAL42 5.0 22.3 1.0
CG C:ARG57 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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