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Calcium in PDB 1a3t: Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate

Enzymatic activity of Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate

All present enzymatic activity of Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate:
3.1.31.1;

Protein crystallography data

The structure of Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate, PDB code: 1a3t was solved by R.Wynn, P.C.Harkins, F.M.Richards, R.O.Fox, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 2.10
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 48.400, 48.400, 63.300, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / n/a

Other elements in 1a3t:

The structure of Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate also contains other interesting chemical elements:

Fluorine (F) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate (pdb code 1a3t). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate, PDB code: 1a3t:

Calcium binding site 1 out of 1 in 1a3t

Go back to Calcium Binding Sites List in 1a3t
Calcium binding site 1 out of 1 in the Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca150

b:35.0
occ:1.00
 O A:HOH205 1.5 45.8 1.0
H2 A:HOH205 2.2 0.0 1.0
H1 A:HOH205 2.3 0.0 1.0
OD1 A:ASP40 2.4 35.1 1.0
O4P A:THP151 2.5 33.9 1.0
OD2 A:ASP21 2.5 22.2 1.0
O A:HOH257 2.6 25.3 1.0
O A:THR41 2.8 31.9 1.0
H2 A:HOH257 3.1 0.0 1.0
HH21 A:ARG35 3.4 0.0 1.0
H1 A:HOH257 3.4 0.0 1.0
CG A:ASP21 3.4 23.7 1.0
OD1 A:ASP21 3.5 20.8 1.0
CG A:ASP40 3.6 32.3 1.0
H A:THR41 3.6 0.0 1.0
O A:HOH219 3.6 47.7 1.0
H1 A:HOH219 3.7 0.0 1.0
P2 A:THP151 3.7 28.6 1.0
NH2 A:ARG35 3.8 28.9 1.0
O A:HOH220 3.9 38.2 1.0
O5P A:THP151 4.0 26.7 1.0
C A:THR41 4.0 32.2 1.0
N A:THR41 4.0 28.9 1.0
H1 A:HOH220 4.0 0.0 1.0
HH22 A:ARG35 4.1 0.0 1.0
OG1 A:THR41 4.1 23.7 1.0
HE A:ARG35 4.1 0.0 1.0
OD2 A:ASP40 4.2 33.0 1.0
CZ A:ARG35 4.4 23.9 1.0
O6P A:THP151 4.5 26.8 1.0
NE A:ARG35 4.5 26.4 1.0
C A:ASP40 4.5 27.8 1.0
CA A:ASP40 4.5 24.2 1.0
H2 A:HOH219 4.6 0.0 1.0
CA A:THR41 4.6 29.1 1.0
CB A:ASP40 4.7 26.9 1.0
OE1 A:GLU43 4.7 49.5 1.0
OD2 A:ASP19 4.7 36.2 1.0
H2 A:HOH220 4.7 0.0 1.0
CB A:ASP21 4.8 16.6 1.0
HG1 A:THR41 4.8 0.0 1.0
O5' A:THP151 4.9 29.0 1.0
C A:PRO42 4.9 32.4 1.0
CB A:THR41 5.0 28.5 1.0

Reference:

R.Wynn, P.C.Harkins, F.M.Richards, R.O.Fox. Comparison of Straight Chain and Cyclic Unnatural Amino Acids Embedded in the Core of Staphylococcal Nuclease. Protein Sci. V. 6 1621 1997.
ISSN: ISSN 0961-8368
PubMed: 9260275
Page generated: Mon Jul 7 13:11:54 2025

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