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Caesium in PDB 4xca: Crystal Structure of Hygx From Streptomyces Hygroscopicus with Nickel and 2-Oxoglutarate Bound

Protein crystallography data

The structure of Crystal Structure of Hygx From Streptomyces Hygroscopicus with Nickel and 2-Oxoglutarate Bound, PDB code: 4xca was solved by K.M.Mcculloch, E.K.Mccranie, M.Sarwar, J.L.Mathieu, B.L.Gitschlag, Y.Du, B.O.Bachmann, T.M.Iverson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.71 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.399, 112.044, 177.803, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 23.6

Other elements in 4xca:

The structure of Crystal Structure of Hygx From Streptomyces Hygroscopicus with Nickel and 2-Oxoglutarate Bound also contains other interesting chemical elements:

Nickel (Ni) 4 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the Crystal Structure of Hygx From Streptomyces Hygroscopicus with Nickel and 2-Oxoglutarate Bound (pdb code 4xca). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 3 binding sites of Caesium where determined in the Crystal Structure of Hygx From Streptomyces Hygroscopicus with Nickel and 2-Oxoglutarate Bound, PDB code: 4xca:
Jump to Caesium binding site number: 1; 2; 3;

Caesium binding site 1 out of 3 in 4xca

Go back to Caesium Binding Sites List in 4xca
Caesium binding site 1 out of 3 in the Crystal Structure of Hygx From Streptomyces Hygroscopicus with Nickel and 2-Oxoglutarate Bound


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Crystal Structure of Hygx From Streptomyces Hygroscopicus with Nickel and 2-Oxoglutarate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs303

b:0.8
occ:1.00
OD1 B:ASP249 2.9 53.2 1.0
OD2 B:ASP255 3.8 53.5 1.0
CG B:ASP249 4.0 47.3 1.0
OD1 B:ASP255 4.0 59.1 1.0
O B:HOH470 4.0 50.5 1.0
O B:ASP249 4.1 39.0 1.0
OD2 B:ASP249 4.3 47.4 1.0
CG B:ASP255 4.3 54.4 1.0
C B:ASP249 4.9 40.8 1.0
O B:HIS250 4.9 35.7 1.0

Caesium binding site 2 out of 3 in 4xca

Go back to Caesium Binding Sites List in 4xca
Caesium binding site 2 out of 3 in the Crystal Structure of Hygx From Streptomyces Hygroscopicus with Nickel and 2-Oxoglutarate Bound


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Crystal Structure of Hygx From Streptomyces Hygroscopicus with Nickel and 2-Oxoglutarate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cs303

b:95.4
occ:1.00
OD1 C:ASP249 2.9 54.0 1.0
O C:HOH533 3.5 45.6 1.0
CG C:ASP249 3.6 42.9 1.0
OD2 C:ASP249 3.7 45.6 1.0
OD1 C:ASP255 3.8 30.9 1.0
O C:ASP249 4.0 24.8 1.0
OD2 C:ASP255 4.0 36.7 1.0
O C:HOH497 4.2 30.6 1.0
O C:HOH517 4.3 33.4 1.0
CG C:ASP255 4.3 37.5 1.0
O C:HIS250 4.4 28.5 1.0
C C:ASP249 4.6 29.2 1.0
CB C:ASP249 4.9 28.6 1.0

Caesium binding site 3 out of 3 in 4xca

Go back to Caesium Binding Sites List in 4xca
Caesium binding site 3 out of 3 in the Crystal Structure of Hygx From Streptomyces Hygroscopicus with Nickel and 2-Oxoglutarate Bound


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Crystal Structure of Hygx From Streptomyces Hygroscopicus with Nickel and 2-Oxoglutarate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cs303

b:0.1
occ:1.00
OD1 D:ASP249 2.9 43.4 1.0
CG D:ASP249 3.7 31.6 1.0
OD1 D:ASP255 3.8 36.4 1.0
OD2 D:ASP249 3.9 41.9 1.0
O D:HOH525 4.1 36.4 1.0
O D:ASP249 4.2 29.1 1.0
OD2 D:ASP255 4.2 34.6 1.0
CG D:ASP255 4.4 38.3 1.0
O D:HIS250 4.5 29.2 1.0
C D:ASP249 4.8 33.7 1.0

Reference:

K.M.Mcculloch, E.K.Mccranie, J.A.Smith, M.Sarwar, J.L.Mathieu, B.L.Gitschlag, Y.Du, B.O.Bachmann, T.M.Iverson. Oxidative Cyclizations in Orthosomycin Biosynthesis Expand the Known Chemistry of An Oxygenase Superfamily. Proc.Natl.Acad.Sci.Usa V. 112 11547 2015.
ISSN: ESSN 1091-6490
PubMed: 26240321
DOI: 10.1073/PNAS.1500964112
Page generated: Sun Dec 13 10:56:39 2020

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