Calcium in PDB 3f6y: Conformational Closure of the Catalytic Site of Human CD38 Induced By Calcium

All present enzymatic activity of Conformational Closure of the Catalytic Site of Human CD38 Induced By Calcium:
3.2.2.5;

The structure of Conformational Closure of the Catalytic Site of Human CD38 Induced By Calcium, PDB code: 3f6y was solved by Q.Liu, R.Graeff, I.A.Kriksunov, C.M.C.Lam, H.C.Lee, Q.Hao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	84.687, 60.058, 56.932, 90.00, 129.69, 90.00
R / Rfree (%)	14.6 / 18.4

The binding sites of Calcium atom in the Conformational Closure of the Catalytic Site of Human CD38 Induced By Calcium (pdb code 3f6y). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Conformational Closure of the Catalytic Site of Human CD38 Induced By Calcium, PDB code: 3f6y:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Conformational Closure of the Catalytic Site of Human CD38 Induced By Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Conformational Closure of the Catalytic Site of Human CD38 Induced By Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:13.3 occ:0.50 O A:HOH5 2.4 12.1 1.0 O A:CYS99 2.4 12.8 1.0 O A:HOH8 2.4 14.6 1.0 O A:HOH10 2.5 15.1 1.0 C A:CYS99 3.6 13.0 1.0 CA A:ASP100 4.3 13.2 1.0 O A:ASN182 4.3 15.2 1.0 N A:ASP100 4.4 12.9 1.0 O A:HOH24 4.4 18.1 1.0 CB A:CYS99 4.5 13.3 1.0 O A:ILE101 4.5 15.6 1.0 CA A:CYS99 4.5 12.9 1.0 CB A:ASN182 4.6 13.4 1.0 OD1 A:ASP100 4.8 13.9 1.0 C A:ASP100 4.8 13.6 1.0

Calcium binding site 2 out of 3 in the Conformational Closure of the Catalytic Site of Human CD38 Induced By Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Conformational Closure of the Catalytic Site of Human CD38 Induced By Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2 b:15.2 occ:1.00 O A:HOH25 2.4 19.0 1.0 OD1 A:ASP147 2.4 14.8 1.0 O A:HOH396 2.4 26.8 1.0 O A:HOH318 2.4 17.5 1.0 OG1 A:THR144 2.4 14.8 1.0 OD2 A:ASP147 2.5 12.6 1.0 CG A:ASP147 2.8 13.6 1.0 CB A:THR144 3.7 13.7 1.0 CG2 A:THR144 3.9 15.3 1.0 N A:THR144 4.2 12.8 1.0 CB A:ASP147 4.3 12.2 1.0 OE1 A:GLU146 4.4 24.9 1.0 CA A:THR144 4.5 12.9 1.0 O A:HOH420 4.6 35.1 1.0 O A:HOH437 4.7 37.3 1.0 O A:HOH511 4.8 50.7 1.0 O A:MET142 4.8 15.7 1.0 N A:ASP147 4.8 13.0 1.0 NE2 A:GLN139 4.9 35.6 1.0 O A:THR144 4.9 12.4 1.0 C A:THR144 5.0 12.7 1.0 CA A:ASP147 5.0 12.5 1.0

Calcium binding site 3 out of 3 in the Conformational Closure of the Catalytic Site of Human CD38 Induced By Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Conformational Closure of the Catalytic Site of Human CD38 Induced By Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3 b:18.0 occ:1.00 O A:HOH31 3.1 20.4 1.0 O A:HOH16 3.2 16.4 1.0 O A:HOH20 3.2 15.7 1.0 N A:ARG127 3.3 13.0 1.0 NE A:ARG127 3.4 24.2 1.0 CG A:ARG127 3.7 14.0 1.0 CB A:SER126 3.7 13.7 1.0 CB A:ARG127 3.7 14.2 1.0 CD2 A:LEU208 3.9 16.4 1.0 OG A:SER220 4.0 18.3 1.0 CA A:SER126 4.0 13.0 1.0 CD A:ARG127 4.1 16.6 1.0 CA A:ARG127 4.1 14.0 1.0 C A:SER126 4.1 13.4 1.0 CB A:SER220 4.1 18.2 1.0 CB A:PHE222 4.2 13.3 1.0 CZ A:ARG127 4.3 23.9 1.0 NH2 A:ARG127 4.3 22.8 1.0 OG A:SER126 4.6 13.4 1.0 CD2 A:PHE222 4.8 13.2 1.0 O A:ILE215 4.8 16.7 1.0 O A:MET207 4.9 14.6 1.0 CG A:PHE222 4.9 12.6 1.0

Q.Liu, R.Graeff, I.A.Kriksunov, C.M.C.Lam, H.C.Lee, Q.Hao. Conformational Closure of the Catalytic Site of Human CD38 Induced By Calcium Biochemistry V. 47 13966 2008.
ISSN: ISSN 0006-2960
PubMed: 19117080
DOI: 10.1021/BI801642Q