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Calcium in PDB 1a2u: Staphylococcal Nuclease, V23C Variant, Complex with 1-N-Butane Thiol and 3',5'-Thymidine Diphosphate

Enzymatic activity of Staphylococcal Nuclease, V23C Variant, Complex with 1-N-Butane Thiol and 3',5'-Thymidine Diphosphate

All present enzymatic activity of Staphylococcal Nuclease, V23C Variant, Complex with 1-N-Butane Thiol and 3',5'-Thymidine Diphosphate:
3.1.31.1;

Protein crystallography data

The structure of Staphylococcal Nuclease, V23C Variant, Complex with 1-N-Butane Thiol and 3',5'-Thymidine Diphosphate, PDB code: 1a2u 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 / 2.00
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 48.500, 48.500, 63.100, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Staphylococcal Nuclease, V23C Variant, Complex with 1-N-Butane Thiol and 3',5'-Thymidine Diphosphate (pdb code 1a2u). 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 1-N-Butane Thiol and 3',5'-Thymidine Diphosphate, PDB code: 1a2u:

Calcium binding site 1 out of 1 in 1a2u

Go back to Calcium Binding Sites List in 1a2u
Calcium binding site 1 out of 1 in the Staphylococcal Nuclease, V23C Variant, Complex with 1-N-Butane 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 1-N-Butane Thiol and 3',5'-Thymidine Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca150

b:39.6
occ:1.00
 O A:HOH243 1.5 70.6 1.0
O A:HOH217 2.2 28.5 1.0
H2 A:HOH243 2.2 0.0 1.0
O A:HOH212 2.3 31.9 1.0
OD2 A:ASP21 2.3 30.4 1.0
H1 A:HOH243 2.4 0.0 1.0
OD1 A:ASP40 2.4 36.7 1.0
O A:THR41 2.7 37.1 1.0
O4P A:THP151 2.7 38.2 1.0
H1 A:HOH217 2.8 0.0 1.0
H2 A:HOH212 2.9 0.0 1.0
H2 A:HOH217 2.9 0.0 1.0
H1 A:HOH212 3.1 0.0 1.0
CG A:ASP21 3.2 28.0 1.0
H A:THR41 3.4 0.0 1.0
OD1 A:ASP21 3.4 29.9 1.0
HH21 A:ARG35 3.4 0.0 1.0
CG A:ASP40 3.6 39.0 1.0
P2 A:THP151 3.8 33.9 1.0
C A:THR41 3.8 38.3 1.0
N A:THR41 3.8 32.7 1.0
NH2 A:ARG35 3.8 31.6 1.0
O A:HOH216 3.9 49.3 1.0
OG1 A:THR41 3.9 32.8 1.0
O5P A:THP151 4.0 29.7 1.0
HE A:ARG35 4.1 0.0 1.0
H2 A:HOH216 4.1 0.0 1.0
HH22 A:ARG35 4.2 0.0 1.0
OD2 A:ASP40 4.2 39.8 1.0
CZ A:ARG35 4.4 31.5 1.0
CA A:THR41 4.4 33.6 1.0
C A:ASP40 4.4 35.3 1.0
HG1 A:THR41 4.5 0.0 1.0
NE A:ARG35 4.5 29.9 1.0
CA A:ASP40 4.5 34.1 1.0
O6P A:THP151 4.5 36.5 1.0
CB A:ASP21 4.6 27.4 1.0
OD2 A:ASP19 4.6 41.6 1.0
CB A:ASP40 4.6 35.5 1.0
H1 A:HOH216 4.7 0.0 1.0
O A:PRO42 4.8 40.6 1.0
C A:PRO42 4.8 45.0 1.0
CB A:THR41 4.8 32.7 1.0
OE1 A:GLU43 4.8 55.4 1.0
N A:PRO42 4.9 43.0 1.0
H A:ASP21 4.9 0.0 1.0
N A:GLU43 5.0 46.7 1.0

Reference:

R.Wynn, P.C.Harkins, F.M.Richards, R.O.Fox. Mobile Unnatural Amino Acid Side Chains in the Core of Staphylococcal Nuclease. Protein Sci. V. 5 1026 1996.
ISSN: ISSN 0961-8368
PubMed: 8762134
Page generated: Mon Jul 7 13:11:36 2025

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