Calcium in PDB 2ff1: Crystal Structure of Trypanosoma Vivax Nucleoside Hydrolase Soaked with Immucillinh

All present enzymatic activity of Crystal Structure of Trypanosoma Vivax Nucleoside Hydrolase Soaked with Immucillinh:
3.2.2.1;

The structure of Crystal Structure of Trypanosoma Vivax Nucleoside Hydrolase Soaked with Immucillinh, PDB code: 2ff1 was solved by W.Versees, J.Barlow, J.Steyaert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.07
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.500, 73.110, 82.350, 90.00, 104.10, 90.00
R / Rfree (%)	17.8 / 22.5

The binding sites of Calcium atom in the Crystal Structure of Trypanosoma Vivax Nucleoside Hydrolase Soaked with Immucillinh (pdb code 2ff1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Trypanosoma Vivax Nucleoside Hydrolase Soaked with Immucillinh, PDB code: 2ff1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Trypanosoma Vivax Nucleoside Hydrolase Soaked with Immucillinh


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Trypanosoma Vivax Nucleoside Hydrolase Soaked with Immucillinh within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:34.3 occ:1.00 OD2 A:ASP15 2.4 26.6 1.0 O3' A:IMH401 2.4 41.3 1.0 O A:THR137 2.4 25.4 1.0 O A:HOH602 2.5 31.0 1.0 OD1 A:ASP15 2.6 24.1 1.0 OD2 A:ASP261 2.6 27.9 1.0 OD2 A:ASP10 2.6 32.1 1.0 O2' A:IMH401 2.6 50.4 1.0 CG A:ASP15 2.8 25.3 1.0 CG A:ASP261 3.4 31.0 1.0 C3' A:IMH401 3.5 52.1 1.0 C A:THR137 3.5 25.1 1.0 C2' A:IMH401 3.5 53.1 1.0 CG A:ASP10 3.6 30.2 1.0 OD1 A:ASP261 3.6 27.2 1.0 OD1 A:ASP10 3.9 27.4 1.0 OD1 A:ASP14 4.2 44.7 1.0 CA A:GLY138 4.2 23.2 1.0 CB A:ASP15 4.2 23.0 1.0 N A:GLY138 4.3 25.4 1.0 CB A:THR137 4.3 19.0 1.0 C1' A:IMH401 4.4 55.3 1.0 OD1 A:ASP40 4.4 58.8 1.0 CA A:THR137 4.5 24.9 1.0 OG1 A:THR137 4.5 23.2 1.0 OD2 A:ASP14 4.5 39.4 1.0 OD1 A:ASN186 4.6 27.9 1.0 C4' A:IMH401 4.6 51.8 1.0 N A:ASP10 4.7 24.4 1.0 CG A:ASP14 4.7 37.7 1.0 ND2 A:ASN186 4.7 27.0 1.0 CB A:ASP261 4.8 26.6 1.0 CA A:ASP15 4.8 22.6 1.0 N4' A:IMH401 4.8 52.6 1.0 N A:ASP15 4.8 25.7 1.0 CB A:ASN12 4.8 32.0 1.0 CB A:ASP10 4.8 26.6 1.0 CB A:ASP40 4.9 53.6 1.0 N A:ASN12 4.9 28.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Trypanosoma Vivax Nucleoside Hydrolase Soaked with Immucillinh


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Trypanosoma Vivax Nucleoside Hydrolase Soaked with Immucillinh within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca602 b:26.8 occ:1.00 O B:THR137 2.4 21.8 1.0 O2' B:IMH402 2.5 32.3 1.0 OD2 B:ASP15 2.5 24.1 1.0 O B:HOH802 2.5 26.4 1.0 OD2 B:ASP10 2.5 25.0 1.0 OD2 B:ASP261 2.6 26.9 1.0 O3' B:IMH402 2.6 25.2 1.0 OD1 B:ASP15 2.6 20.1 1.0 CG B:ASP15 2.9 22.9 1.0 CG B:ASP261 3.4 26.5 1.0 C2' B:IMH402 3.5 36.1 1.0 C B:THR137 3.5 21.7 1.0 C3' B:IMH402 3.6 32.5 1.0 CG B:ASP10 3.6 23.4 1.0 OD1 B:ASP261 3.6 27.2 1.0 OD1 B:ASP10 4.0 20.8 1.0 OD1 B:ASP14 4.1 24.9 0.5 CA B:GLY138 4.2 17.6 1.0 N B:GLY138 4.2 18.1 1.0 C1' B:IMH402 4.2 38.9 1.0 CB B:THR137 4.3 20.1 1.0 CB B:ASP15 4.4 20.3 1.0 CA B:THR137 4.5 21.8 1.0 OG1 B:THR137 4.5 18.1 1.0 OD1 B:ASN186 4.5 23.7 1.0 ND2 B:ASN186 4.6 25.9 1.0 N B:ASP10 4.6 20.8 1.0 OD2 B:ASP14 4.6 19.6 0.5 N4' B:IMH402 4.6 33.3 1.0 C4' B:IMH402 4.6 33.0 1.0 CB B:ASN12 4.7 30.1 1.0 CG B:ASP14 4.7 23.8 0.5 OD1 B:ASP40 4.7 51.3 1.0 CB B:ASP261 4.8 23.1 1.0 CB B:ASP10 4.9 22.8 1.0 N B:ASP15 4.9 20.3 1.0 CA B:ASP15 4.9 20.5 1.0

W.Versees, J.Barlow, J.Steyaert. Transition-State Complex of the Purine-Specific Nucleoside Hydrolase of T.Vivax: Enzyme Conformational Changes and Implications For Catalysis. J.Mol.Biol. V. 359 331 2006.
ISSN: ISSN 0022-2836
PubMed: 16630632
DOI: 10.1016/J.JMB.2006.03.026