Calcium in PDB 5nsf: Structure of Azuala

All present enzymatic activity of Structure of Azuala:
6.1.1.1;

The structure of Structure of Azuala, PDB code: 5nsf was solved by B.M.Martins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.27 / 2.43
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	56.140, 70.633, 77.624, 85.70, 89.75, 83.42
R / Rfree (%)	18.2 / 24

The binding sites of Calcium atom in the Structure of Azuala (pdb code 5nsf). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structure of Azuala, PDB code: 5nsf:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Structure of Azuala


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Azuala within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca403 b:94.5 occ:1.00 O B:LYS304 2.2 54.9 1.0 O B:HOH551 2.2 34.1 1.0 OXT B:LEU306 2.6 47.7 1.0 C B:LYS304 3.2 26.7 1.0 HA B:LYS304 3.3 45.8 1.0 C B:LEU306 3.8 42.5 1.0 CA B:LYS304 3.8 38.2 1.0 O B:ARG303 4.0 38.4 1.0 H B:LEU306 4.2 49.5 1.0 N B:LEU306 4.3 41.3 1.0 N B:ARG305 4.3 40.5 1.0 HB3 B:LYS304 4.5 62.3 1.0 O B:LEU306 4.5 43.3 1.0 C B:ARG305 4.5 48.5 1.0 HA B:ARG305 4.5 61.4 1.0 CA B:LEU306 4.7 55.2 1.0 CA B:ARG305 4.7 51.2 1.0 CB B:LYS304 4.8 51.9 1.0 N B:LYS304 4.8 38.5 1.0 C B:ARG303 4.8 48.0 1.0

Calcium binding site 2 out of 3 in the Structure of Azuala


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Azuala within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:54.3 occ:1.00 OE2 A:GLU140 2.3 67.1 1.0 O A:GLU135 2.4 36.2 1.0 OD1 C:ASN279 2.6 41.8 1.0 HG2 A:GLU140 2.9 89.9 1.0 HD21 C:ASN279 3.3 59.6 1.0 CD A:GLU140 3.3 69.3 1.0 CG C:ASN279 3.5 46.3 1.0 CG A:GLU140 3.5 75.0 1.0 C A:GLU135 3.6 35.2 1.0 ND2 C:ASN279 3.7 49.6 1.0 HA A:LEU136 3.8 38.9 1.0 HG3 A:GLU140 4.0 89.9 1.0 O A:ALA138 4.1 37.9 1.0 HA A:GLU135 4.2 37.2 1.0 HA A:GLU140 4.4 72.5 1.0 OE1 A:GLU140 4.5 79.5 1.0 CA A:GLU135 4.5 31.0 1.0 N A:LEU136 4.5 44.6 1.0 CA A:LEU136 4.6 32.4 1.0 HD22 C:ASN279 4.6 59.6 1.0 O A:HOH550 4.6 48.1 1.0 HD23 A:LEU136 4.7 24.1 1.0 HA C:ASN279 4.7 40.0 1.0 HB3 A:GLU135 4.7 52.9 1.0 CB A:GLU140 4.8 49.0 1.0 CB C:ASN279 4.9 31.7 1.0 CA A:GLU140 5.0 60.5 1.0 C A:LEU136 5.0 35.3 1.0

Calcium binding site 3 out of 3 in the Structure of Azuala


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Azuala within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:78.6 occ:1.00 OXT A:LEU306 2.3 61.3 1.0 O A:LYS304 2.5 48.5 1.0 O A:HOH539 2.6 35.6 1.0 C A:LEU306 3.5 37.3 1.0 C A:LYS304 3.5 36.1 1.0 HA A:LYS304 3.8 47.3 1.0 H A:LEU306 4.1 48.4 1.0 N A:LEU306 4.1 40.4 1.0 O A:LEU306 4.2 53.1 1.0 CA A:LYS304 4.3 39.4 1.0 O A:ARG303 4.4 37.6 1.0 C A:ARG305 4.4 42.9 1.0 CA A:LEU306 4.4 44.3 1.0 N A:ARG305 4.5 34.1 1.0 HA A:ARG305 4.5 40.3 1.0 CA A:ARG305 4.7 33.6 1.0 HA A:LEU306 4.9 53.1 1.0 HB3 A:LYS304 4.9 50.5 1.0 O A:ARG305 4.9 48.3 1.0

T.Baumann, M.Hauf, F.Schildhauer, K.B.Eberl, P.M.Durkin, E.Deniz, J.G.Loffler, C.G.Acevedo-Rocha, J.Jaric, B.M.Martins, H.Dobbek, J.Bredenbeck, N.Budisa. Site-Resolved Observation of Vibrational Energy Transfer Using A Genetically Encoded Ultrafast Heater. Angew. Chem. Int. Ed. Engl. V. 58 2899 2019.
ISSN: ESSN 1521-3773
PubMed: 30589180
DOI: 10.1002/ANIE.201812995