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Zinc 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
Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Oxidised RV1284 (pdb code 4yf6). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Oxidised RV1284, PDB code: 4yf6:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 4yf6

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Oxidised RV1284 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn200

b:37.0
occ:0.59
NE2 A:HIS88 2.2 40.4 1.0
SG A:CYS91 2.3 37.8 1.0
SG A:CYS35 2.4 2.4 0.7
CD2 A:HIS88 3.1 40.4 1.0
CE1 A:HIS88 3.2 40.4 1.0
CB A:CYS35 3.6 2.4 0.7
CB A:CYS35 3.7 2.4 0.3
CB A:CYS91 3.7 37.8 1.0
CB A:ASP37 3.7 10.4 1.0
OD2 A:ASP37 3.7 10.4 1.0
N A:GLY92 3.8 69.0 1.0
CA A:CYS91 4.0 71.4 1.0
CG A:ASP37 4.2 10.4 1.0
SG A:CYS35 4.3 2.4 0.3
CG A:HIS88 4.3 40.4 1.0
ND1 A:HIS88 4.3 40.4 1.0
CA A:GLY60 4.3 5.5 1.0
N A:GLY60 4.3 5.5 1.0
C A:CYS91 4.4 71.4 1.0
N A:ASP37 4.5 20.7 1.0
CA A:ASP37 4.6 20.7 1.0
SG A:CYS61 4.8 5.4 0.3
CA A:GLY92 4.8 69.0 1.0
C A:GLY60 5.0 5.5 1.0

Zinc binding site 2 out of 4 in 4yf6

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Oxidised RV1284 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn200

b:37.0
occ:0.55
SG B:CYS91 2.2 52.1 1.0
SG B:CYS35 2.3 10.8 0.6
NE2 B:HIS88 2.4 25.9 1.0
CE1 B:HIS88 3.4 25.9 1.0
CD2 B:HIS88 3.4 25.9 1.0
CB B:ASP37 3.6 17.6 1.0
OD2 B:ASP37 3.6 17.6 1.0
CB B:CYS35 3.7 10.8 0.6
CB B:CYS35 3.7 10.8 0.4
CB B:CYS91 3.8 52.1 1.0
CG B:ASP37 4.1 17.6 1.0
N B:GLY60 4.1 37.1 1.0
N B:GLY92 4.2 64.4 1.0
N B:ASP37 4.2 3.9 1.0
CA B:CYS91 4.2 92.6 1.0
CA B:GLY60 4.2 37.1 1.0
CA B:ASP37 4.3 3.9 1.0
SG B:CYS35 4.5 10.8 0.4
ND1 B:HIS88 4.5 25.9 1.0
CG B:HIS88 4.6 25.9 1.0
C B:CYS91 4.7 92.6 1.0
N B:MET36 4.9 14.5 1.0

Zinc binding site 3 out of 4 in 4yf6

Go back to Zinc Binding Sites List in 4yf6
Zinc binding site 3 out of 4 in the Crystal Structure of Oxidised RV1284


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Oxidised RV1284 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn200

b:37.0
occ:0.60
NE2 C:HIS88 2.1 44.3 1.0
SG C:CYS91 2.5 51.0 1.0
SG C:CYS35 2.5 5.4 0.6
CE1 C:HIS88 2.9 44.3 1.0
CD2 C:HIS88 3.2 44.3 1.0
CB C:CYS35 3.4 5.4 0.6
CB C:CYS35 3.5 5.4 0.4
CB C:ASP37 3.7 38.8 1.0
O C:HOH301 3.9 32.4 1.0
OD2 C:ASP37 4.0 38.8 1.0
CB C:CYS91 4.0 51.0 1.0
ND1 C:HIS88 4.1 44.3 1.0
CA C:GLY60 4.1 19.6 1.0
N C:GLY60 4.1 19.6 1.0
CG C:HIS88 4.2 44.3 1.0
SG C:CYS35 4.3 5.4 0.4
N C:GLY92 4.3 79.2 1.0
CG C:ASP37 4.3 38.8 1.0
CA C:CYS91 4.5 97.4 1.0
N C:ASP37 4.5 18.1 1.0
CA C:ASP37 4.5 18.1 1.0
SG C:CYS61 4.5 11.2 0.4
CG C:MET93 4.8 77.5 1.0
C C:GLY60 4.8 19.6 1.0
CA C:CYS35 4.8 23.8 0.4
CA C:CYS35 4.9 23.8 0.6
C C:CYS91 4.9 97.4 1.0

Zinc binding site 4 out of 4 in 4yf6

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Oxidised RV1284 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn200

b:37.0
occ:0.58
NE2 D:HIS88 2.2 36.4 1.0
SG D:CYS35 2.4 3.4 0.5
SG D:CYS91 2.6 58.7 1.0
CE1 D:HIS88 2.8 36.4 1.0
CD2 D:HIS88 3.4 36.4 1.0
N D:GLY92 3.5 82.9 1.0
CB D:CYS35 3.9 3.4 0.5
OD2 D:ASP37 3.9 32.8 1.0
CB D:CYS35 4.0 3.4 0.5
CB D:ASP37 4.0 32.8 1.0
CB D:CYS91 4.0 58.7 1.0
ND1 D:HIS88 4.1 36.4 1.0
N D:GLY60 4.1 18.7 1.0
CA D:GLY60 4.1 18.7 1.0
CA D:CYS91 4.2 66.4 1.0
CA D:GLY92 4.3 82.9 1.0
CG D:HIS88 4.3 36.4 1.0
C D:CYS91 4.4 66.4 1.0
CG D:ASP37 4.4 32.8 1.0
N D:ASP37 4.7 17.0 1.0
CA D:ASP37 4.7 17.0 1.0
SG D:CYS35 4.8 3.4 0.5
N D:MET93 5.0 52.0 1.0
CG D:MET93 5.0 37.3 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: Wed Dec 16 05:56:37 2020

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