Calcium in PDB 2fxf: Human Spermidine/Spermine N1-Acetyltransferase

All present enzymatic activity of Human Spermidine/Spermine N1-Acetyltransferase:
2.3.1.57;

The structure of Human Spermidine/Spermine N1-Acetyltransferase, PDB code: 2fxf was solved by J.R.Min, H.Wu, H.Zeng, P.Loppnau, M.Sundstrom, C.H.Arrowsmith, A.M.Edwards, A.Bochkarev, A.N.Plotnikov, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.72 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	65.631, 66.738, 95.660, 90.00, 94.41, 90.00
R / Rfree (%)	19.4 / 25

The binding sites of Calcium atom in the Human Spermidine/Spermine N1-Acetyltransferase (pdb code 2fxf). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Human Spermidine/Spermine N1-Acetyltransferase, PDB code: 2fxf:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Human Spermidine/Spermine N1-Acetyltransferase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Spermidine/Spermine N1-Acetyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:21.2 occ:1.00 OD1 A:ASP93 2.3 24.2 1.0 O A:HOH1004 2.3 26.1 1.0 O A:HOH1001 2.4 22.8 1.0 O A:HOH1003 2.5 20.1 1.0 OE2 A:GLU92 2.5 20.3 1.0 O A:GLU92 2.5 20.3 1.0 O A:HOH1002 2.5 28.9 1.0 C A:GLU92 3.5 20.6 1.0 CG A:ASP93 3.5 20.7 1.0 CD A:GLU92 3.5 21.2 1.0 CG A:GLU92 4.1 15.9 1.0 O A:HOH1022 4.1 27.5 1.0 CA A:ASP93 4.1 20.4 1.0 N A:ASP93 4.1 20.0 1.0 CG B:PRO83 4.2 20.1 1.0 OD2 A:ASP93 4.3 20.8 1.0 CB A:ASP93 4.4 19.3 1.0 O A:HOH1019 4.4 28.9 1.0 O A:HOH1005 4.5 22.6 1.0 CA A:GLU92 4.5 19.5 1.0 OE1 A:GLU92 4.5 18.8 1.0 O A:HOH1038 4.5 32.1 1.0 CD2 A:LEU24 4.5 19.3 1.0 OE1 A:GLU28 4.7 22.1 1.0 CD B:PRO83 4.7 19.9 1.0 OE2 A:GLU28 4.7 21.1 1.0 CZ3 B:TRP154 4.8 32.9 1.0 CB A:GLU92 4.9 19.7 1.0 O B:HOH2005 5.0 31.8 1.0 O A:HOH1007 5.0 18.4 1.0

Calcium binding site 2 out of 5 in the Human Spermidine/Spermine N1-Acetyltransferase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Spermidine/Spermine N1-Acetyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:58.3 occ:1.00 SG A:CYS120 2.2 30.3 1.0 CB A:CYS120 3.0 26.2 1.0 CA A:CYS120 3.6 27.2 1.0 CZ B:PHE51 3.9 35.7 1.0 N A:CYS120 4.3 25.9 1.0 CZ A:PHE79 4.6 21.1 1.0 CE1 B:PHE51 4.7 36.8 1.0 C A:CYS120 4.7 26.5 1.0 O A:CYS120 4.8 27.6 1.0 CE2 B:PHE51 4.8 35.3 1.0 O A:ARG119 4.9 24.2 1.0 C A:ARG119 4.9 26.7 1.0

Calcium binding site 3 out of 5 in the Human Spermidine/Spermine N1-Acetyltransferase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Human Spermidine/Spermine N1-Acetyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:68.4 occ:1.00 O A:HOH1111 2.3 29.0 1.0 O A:ALA12 2.4 25.4 1.0 OG A:SER15 2.8 29.4 1.0 O A:HOH1082 3.0 48.1 1.0 C A:ALA12 3.5 25.1 1.0 CB A:SER15 3.7 22.8 1.0 N A:SER15 4.0 22.2 1.0 O A:HOH1031 4.1 31.4 1.0 OD2 A:ASP16 4.4 28.5 1.0 CA A:ALA12 4.4 23.6 1.0 N A:ASP13 4.4 23.6 1.0 CA A:SER15 4.4 23.2 1.0 O A:HOH1087 4.5 49.0 1.0 CA A:ASP13 4.5 24.3 1.0 N A:CYS14 4.5 21.6 1.0 C A:ASP13 4.5 22.2 1.0 O A:HOH1054 4.7 34.7 1.0 OE1 A:GLU38 4.8 35.1 1.0 N A:ASP16 4.9 21.4 1.0

Calcium binding site 4 out of 5 in the Human Spermidine/Spermine N1-Acetyltransferase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Human Spermidine/Spermine N1-Acetyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:29.4 occ:1.00 O B:HOH2081 2.3 37.5 1.0 O B:GLU92 2.3 25.3 1.0 OD1 B:ASP93 2.3 22.9 1.0 O B:HOH2022 2.4 33.9 1.0 O B:HOH2007 2.5 32.5 1.0 OE2 B:GLU92 2.5 25.6 1.0 O B:HOH2078 2.9 45.6 1.0 C B:GLU92 3.4 25.6 1.0 CD B:GLU92 3.5 24.6 1.0 CG B:ASP93 3.6 25.4 1.0 CG B:GLU92 3.9 24.9 1.0 CA B:ASP93 4.1 26.5 1.0 N B:ASP93 4.1 26.1 1.0 CG A:PRO83 4.2 28.2 1.0 OD2 B:ASP93 4.4 27.0 1.0 CB B:ASP93 4.4 27.8 1.0 CA B:GLU92 4.4 24.6 1.0 CZ3 A:TRP84 4.4 45.2 1.0 OE1 B:GLU92 4.5 22.9 1.0 O B:HOH2019 4.6 31.7 1.0 CD A:PRO83 4.6 24.4 1.0 O B:HOH2048 4.6 45.6 1.0 O B:HOH2006 4.7 28.1 1.0 OE2 B:GLU28 4.7 38.0 1.0 CH3 B:ACO2000 4.7 54.9 1.0 O A:HOH1052 4.7 38.2 1.0 CB B:GLU92 4.8 24.9 1.0 O B:HOH2004 4.9 29.8 1.0 CD2 B:LEU24 4.9 30.3 1.0 CH2 A:TRP84 4.9 43.9 1.0 OE1 B:GLU28 5.0 45.0 1.0

Calcium binding site 5 out of 5 in the Human Spermidine/Spermine N1-Acetyltransferase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Human Spermidine/Spermine N1-Acetyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca304 b:57.3 occ:1.00 SG B:CYS120 2.1 37.3 1.0 CB B:CYS120 3.1 38.2 1.0 O A:HOH1108 3.3 52.4 1.0 CA B:CYS120 3.5 39.0 1.0 NH1 B:ARG119 3.7 56.9 1.0 O A:HOH1112 3.7 46.0 1.0 N B:CYS120 4.2 38.9 1.0 O B:HOH2059 4.5 48.5 1.0 CZ B:ARG119 4.6 57.2 1.0 O B:ARG119 4.6 38.6 1.0 C B:ARG119 4.7 39.4 1.0 CZ A:PHE51 4.7 29.7 1.0 C B:CYS120 4.7 39.7 1.0 CD B:ARG119 4.8 50.1 1.0 CZ B:PHE79 4.8 27.3 1.0 O B:CYS120 4.8 39.7 1.0

J.R.Min, H.Wu, H.Zeng, P.Loppnau, M.Sundstrom, C.H.Arrowsmith, A.M.Edwards, A.Bochkarev, A.N.Plotnikov. The Crystal Structure of Human Spermidine/Spermine N1-Acetyltransferase To Be Published.