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Chlorine in PDB 3zph: Bacterial Chalcone Isomerase in Closed Conformation From Eubacterium Ramulus at 2.8 A Resolution

Enzymatic activity of Bacterial Chalcone Isomerase in Closed Conformation From Eubacterium Ramulus at 2.8 A Resolution

All present enzymatic activity of Bacterial Chalcone Isomerase in Closed Conformation From Eubacterium Ramulus at 2.8 A Resolution:
5.5.1.6;

Protein crystallography data

The structure of Bacterial Chalcone Isomerase in Closed Conformation From Eubacterium Ramulus at 2.8 A Resolution, PDB code: 3zph was solved by M.Thomsen, G.J.Palm, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.09 / 2.80
Space group I 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 177.730, 203.120, 206.110, 90.00, 90.00, 90.00
R / Rfree (%) 24.794 / 29.661

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Bacterial Chalcone Isomerase in Closed Conformation From Eubacterium Ramulus at 2.8 A Resolution (pdb code 3zph). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Bacterial Chalcone Isomerase in Closed Conformation From Eubacterium Ramulus at 2.8 A Resolution, PDB code: 3zph:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3zph

Go back to Chlorine Binding Sites List in 3zph
Chlorine binding site 1 out of 4 in the Bacterial Chalcone Isomerase in Closed Conformation From Eubacterium Ramulus at 2.8 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bacterial Chalcone Isomerase in Closed Conformation From Eubacterium Ramulus at 2.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:54.1
occ:1.00
 OD2 A:ASP247 3.1 48.0 1.0
N A:ASP247 3.3 39.2 1.0
CG A:ASP247 3.5 45.8 1.0
CB A:GLN246 3.8 35.3 1.0
CA A:GLN246 3.8 36.2 1.0
CB A:ASP247 4.0 43.1 1.0
C A:GLN246 4.1 37.5 1.0
OD1 A:ASP247 4.2 46.8 1.0
CA A:ASP247 4.3 40.6 1.0
O A:HOH2066 4.9 27.4 1.0

Chlorine binding site 2 out of 4 in 3zph

Go back to Chlorine Binding Sites List in 3zph
Chlorine binding site 2 out of 4 in the Bacterial Chalcone Isomerase in Closed Conformation From Eubacterium Ramulus at 2.8 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bacterial Chalcone Isomerase in Closed Conformation From Eubacterium Ramulus at 2.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:50.4
occ:1.00
 OD1 B:ASP247 3.2 53.2 1.0
N B:ASP247 3.4 46.0 1.0
O B:HOH2177 3.7 36.0 1.0
CB B:GLN246 3.9 43.5 1.0
CA B:GLN246 4.0 44.3 1.0
CG B:ASP247 4.1 51.3 1.0
CB B:ASP247 4.1 49.4 1.0
C B:GLN246 4.2 44.5 1.0
CA B:ASP247 4.4 47.6 1.0
OE1 B:GLN246 4.8 41.8 1.0
CG B:GLN246 4.9 42.8 1.0

Chlorine binding site 3 out of 4 in 3zph

Go back to Chlorine Binding Sites List in 3zph
Chlorine binding site 3 out of 4 in the Bacterial Chalcone Isomerase in Closed Conformation From Eubacterium Ramulus at 2.8 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Bacterial Chalcone Isomerase in Closed Conformation From Eubacterium Ramulus at 2.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:42.4
occ:1.00
 O C:HOH2072 3.3 33.9 1.0
N C:ASP247 3.3 44.6 1.0
O C:HOH2164 3.6 26.8 1.0
OD2 C:ASP247 3.8 50.0 1.0
CB C:ASP247 3.8 47.4 1.0
CB C:GLN246 3.9 40.3 1.0
CA C:GLN246 4.0 41.1 1.0
CG C:ASP247 4.1 50.0 1.0
C C:GLN246 4.1 42.5 1.0
CA C:ASP247 4.2 45.5 1.0
OD1 C:ASP247 5.0 52.3 1.0
OE1 C:GLN246 5.0 37.7 1.0

Chlorine binding site 4 out of 4 in 3zph

Go back to Chlorine Binding Sites List in 3zph
Chlorine binding site 4 out of 4 in the Bacterial Chalcone Isomerase in Closed Conformation From Eubacterium Ramulus at 2.8 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Bacterial Chalcone Isomerase in Closed Conformation From Eubacterium Ramulus at 2.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl401

b:43.6
occ:1.00
 N E:ASP247 3.5 47.8 1.0
O E:HOH2138 3.5 30.1 1.0
CB E:GLN246 3.7 44.0 1.0
CA E:GLN246 3.9 45.8 1.0
C E:GLN246 4.2 46.8 1.0
CB E:ASP247 4.2 51.0 1.0
OD2 E:ASP247 4.4 56.2 1.0
CA E:ASP247 4.5 48.9 1.0
CG E:ASP247 4.5 54.0 1.0

Reference:

M.Gall, M.Thomsen, C.Peters, I.V.Pavlidis, P.Jonczyk, P.P.Grunert, S.Beutel, T.Scheper, E.Gross, M.Backes, T.Geissler, J.P.Ley, J.-M.H, G.Krammer, G.J.Palm, W.Hinrichs, U.T.Bornscheuer. Enzymatic Conversion of Flavonoids Using Bacterial Chalcone Isomerase and Enoate Reductase Angew.Chem.Int.Ed.Engl. V. 53 1439 2014.
ISSN: ISSN 1433-7851
PubMed: 24459060
DOI: 10.1002/ANIE.201306952
Page generated: Sun Jul 21 08:25:02 2024

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