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Sodium in PDB 1tec: Crystallographic Refinement By Incorporation of Molecular Dynamics. the Thermostable Serine Protease Thermitase Complexed with Eglin-C

Enzymatic activity of Crystallographic Refinement By Incorporation of Molecular Dynamics. the Thermostable Serine Protease Thermitase Complexed with Eglin-C

All present enzymatic activity of Crystallographic Refinement By Incorporation of Molecular Dynamics. the Thermostable Serine Protease Thermitase Complexed with Eglin-C:
3.4.21.66;

Protein crystallography data

The structure of Crystallographic Refinement By Incorporation of Molecular Dynamics. the Thermostable Serine Protease Thermitase Complexed with Eglin-C, PDB code: 1tec was solved by P.Gros, B.W.Dijkstra, W.G.J.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.250, 72.100, 89.250, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1tec:

The structure of Crystallographic Refinement By Incorporation of Molecular Dynamics. the Thermostable Serine Protease Thermitase Complexed with Eglin-C also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystallographic Refinement By Incorporation of Molecular Dynamics. the Thermostable Serine Protease Thermitase Complexed with Eglin-C (pdb code 1tec). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystallographic Refinement By Incorporation of Molecular Dynamics. the Thermostable Serine Protease Thermitase Complexed with Eglin-C, PDB code: 1tec:

Sodium binding site 1 out of 1 in 1tec

Go back to Sodium Binding Sites List in 1tec
Sodium binding site 1 out of 1 in the Crystallographic Refinement By Incorporation of Molecular Dynamics. the Thermostable Serine Protease Thermitase Complexed with Eglin-C


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystallographic Refinement By Incorporation of Molecular Dynamics. the Thermostable Serine Protease Thermitase Complexed with Eglin-C within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Na345

b:10.0
occ:1.00
 O E:ALA178 2.5 14.1 1.0
O E:ALA173 2.7 16.6 1.0
O E:TYR175 2.7 21.8 1.0
OD1 E:ASP201 3.2 16.6 1.0
O E:HOH479 3.4 35.9 1.0
C E:ALA178 3.6 45.5 1.0
C E:TYR175 3.8 16.8 1.0
C E:ALA173 3.8 15.7 1.0
N E:TYR175 3.8 13.8 1.0
O E:HOH464 4.1 57.4 1.0
N E:ALA180 4.2 8.3 1.0
CB E:ALA180 4.2 18.5 1.0
CA E:TYR174 4.3 20.6 1.0
CG E:ASP201 4.3 24.4 1.0
CA E:ALA178 4.3 2.2 1.0
O E:VAL199 4.4 20.2 1.0
N E:ALA178 4.4 4.2 1.0
CA E:SER176 4.4 15.0 1.0
N E:TYR174 4.5 17.8 1.0
CB E:ALA178 4.5 3.5 1.0
N E:SER176 4.6 24.0 1.0
N E:ILE179 4.6 8.7 1.0
CA E:TYR175 4.6 14.4 1.0
C E:TYR174 4.6 28.1 1.0
NH2 E:ARG249 4.7 20.3 1.0
C E:SER176 4.8 24.6 1.0
C E:ILE179 4.8 20.6 1.0
CA E:ALA180 4.8 0.5 1.0
OD2 E:ASP201 4.8 37.9 1.0
CA E:ILE179 4.8 2.6 1.0
CA E:ALA173 5.0 5.6 1.0

Reference:

P.Gros, M.Fujinaga, B.W.Dijkstra, K.H.Kalk, W.G.Hol. Crystallographic Refinement By Incorporation of Molecular Dynamics: Thermostable Serine Protease Thermitase Complexed with Eglin C. Acta Crystallogr.,Sect.B V. 45 488 1989.
ISSN: ISSN 0108-7681
PubMed: 2688688
DOI: 10.1107/S0108768189006038
Page generated: Sun Oct 6 22:39:13 2024

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