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Cadmium in PDB 1cf8: Convergence of Catalytic Antibody and Terpene Cyclase Mechanisms: Polyene Cyclization Directed By Carbocation-Pi Interactions

Protein crystallography data

The structure of Convergence of Catalytic Antibody and Terpene Cyclase Mechanisms: Polyene Cyclization Directed By Carbocation-Pi Interactions, PDB code: 1cf8 was solved by C.M.Paschall, J.Hasserodt, T.Jones, R.A.Lerner, K.D.Janda, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 101.300, 70.300, 69.600, 90.00, 114.20, 90.00
R / Rfree (%) 16.5 / 25.7

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Convergence of Catalytic Antibody and Terpene Cyclase Mechanisms: Polyene Cyclization Directed By Carbocation-Pi Interactions (pdb code 1cf8). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Convergence of Catalytic Antibody and Terpene Cyclase Mechanisms: Polyene Cyclization Directed By Carbocation-Pi Interactions, PDB code: 1cf8:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in 1cf8

Go back to Cadmium Binding Sites List in 1cf8
Cadmium binding site 1 out of 2 in the Convergence of Catalytic Antibody and Terpene Cyclase Mechanisms: Polyene Cyclization Directed By Carbocation-Pi Interactions


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Convergence of Catalytic Antibody and Terpene Cyclase Mechanisms: Polyene Cyclization Directed By Carbocation-Pi Interactions within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cd1001

b:38.3
occ:0.51
OE1 L:GLU187 2.1 34.3 1.0
OE2 L:GLU213 2.5 58.4 1.0
OE1 L:GLU213 2.7 63.2 1.0
CD L:GLU213 2.9 60.2 1.0
CD L:GLU187 3.0 31.4 1.0
OE2 L:GLU187 3.2 36.2 1.0
CG L:GLU213 4.3 56.9 1.0
NE L:ARG211 4.4 34.6 1.0
CG L:GLU187 4.4 26.4 1.0
CE2 L:TYR186 4.6 10.9 1.0
NH2 L:ARG211 4.7 33.9 1.0
CA L:GLU213 4.8 49.6 1.0
CB L:GLU213 4.9 51.2 1.0

Cadmium binding site 2 out of 2 in 1cf8

Go back to Cadmium Binding Sites List in 1cf8
Cadmium binding site 2 out of 2 in the Convergence of Catalytic Antibody and Terpene Cyclase Mechanisms: Polyene Cyclization Directed By Carbocation-Pi Interactions


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Convergence of Catalytic Antibody and Terpene Cyclase Mechanisms: Polyene Cyclization Directed By Carbocation-Pi Interactions within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cd1000

b:36.7
occ:1.00
OD2 H:ASP173 2.6 33.0 1.0
OD1 H:ASP173 2.7 35.5 1.0
CG H:ASP173 2.9 27.4 1.0
CB H:ASP173 4.3 23.4 1.0
O H:HOH1101 4.4 7.1 1.0
CA H:ASP173 4.7 20.4 1.0
N H:ASP173 4.8 17.6 1.0

Reference:

C.M.Paschall, J.Hasserodt, T.Jones, R.A.Lerner, K.D.Janda, D.W.Christianson. Convergence of Catalytic Antibody and Terpene Cyclase Mechanisms: Polyene Cyclization Directed By Carbocation-Pi Interactions Angew.Chem.Int.Ed.Engl. V. 38 1743 1999.
ISSN: ISSN 1433-7851
DOI: 10.1002/(SICI)1521-3773(19990614)38:12<1743::AID-ANIE1743>3.0.CO;2-3
Page generated: Wed Oct 28 09:52:45 2020
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