Calcium in PDB 3df6: The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1

The structure of The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1, PDB code: 3df6 was solved by A.Goulet, S.Spinelli, D.Prangishvili, H.Van Tilbeurgh, C.Cambillau, V.Campanacci, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.112, 97.688, 103.679, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 22.1

The binding sites of Calcium atom in the The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1 (pdb code 3df6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1, PDB code: 3df6:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca100 b:22.6 occ:1.00 O A:GLU99 2.4 8.2 1.0 C A:GLU99 3.5 8.8 1.0 CA A:GLU99 4.0 9.4 1.0 CB A:GLU99 4.2 9.5 1.0 OXT A:GLU99 4.4 7.6 1.0 CG A:GLU99 5.0 10.6 1.0

Calcium binding site 2 out of 6 in the The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca100 b:20.1 occ:1.00 O B:HOH199 2.2 35.8 1.0 O B:HOH154 2.3 33.7 1.0 OD1 B:ASN68 2.4 16.5 1.0 O B:HOH200 2.4 31.2 1.0 CG B:ASN68 3.3 17.4 1.0 ND2 B:ASN68 3.7 10.8 1.0 OE1 B:GLU99 3.8 28.2 0.8 OE1 B:GLU67 4.4 29.7 0.7 O B:HOH120 4.6 17.6 1.0 CB B:ASN68 4.7 19.6 1.0 CZ2 B:TRP96 4.8 12.5 1.0 CH2 B:TRP96 4.8 11.8 1.0 CD B:GLU67 4.9 29.9 0.7 CB B:GLU67 4.9 26.4 0.7

Calcium binding site 3 out of 6 in the The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca101 b:31.9 occ:1.00 O B:HOH184 2.3 26.2 1.0 O B:HOH185 2.3 22.4 1.0 OD1 B:ASP15 2.4 15.9 1.0 O B:HOH207 2.6 27.1 1.0 O B:GLU40 3.4 16.0 1.0 O B:HOH156 3.4 26.6 1.0 CG B:ASP15 3.5 15.9 1.0 OD2 B:ASP15 3.8 18.2 1.0 C B:GLU40 4.6 15.9 1.0 CG2 B:ILE11 4.7 12.8 1.0 CB B:ASP15 4.8 12.9 1.0 CA B:GLY43 4.8 18.7 1.0 O B:LEU41 4.9 17.9 1.0 O B:HOH201 4.9 13.3 1.0 CD1 B:LEU18 5.0 16.0 1.0 CA B:ASP15 5.0 13.6 1.0

Calcium binding site 4 out of 6 in the The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca100 b:21.3 occ:1.00 O C:HOH201 2.3 32.0 1.0 O C:HOH189 2.3 28.4 1.0 OD1 C:ASN68 2.4 15.5 1.0 O C:HOH170 2.5 37.0 1.0 O C:HOH125 2.6 30.1 1.0 CG C:ASN68 3.3 17.9 1.0 OE2 C:GLU99 3.6 27.8 0.7 ND2 C:ASN68 3.6 17.5 1.0 CD C:GLU99 3.8 24.2 0.7 OE1 C:GLU99 3.9 28.5 0.7 CG C:GLU99 4.6 19.8 0.7 O C:HOH106 4.7 16.5 1.0 CB C:ASN68 4.7 19.5 1.0 OE1 C:GLU67 4.7 35.3 0.7 CZ2 C:TRP96 4.8 11.8 1.0 CH2 C:TRP96 4.9 13.5 1.0

Calcium binding site 5 out of 6 in the The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca101 b:22.5 occ:1.00 O C:GLU99 2.5 14.9 1.0 OXT C:GLU99 2.7 16.9 1.0 C C:GLU99 3.0 15.9 1.0 O C:HOH179 4.3 38.3 1.0 CA C:GLU99 4.5 15.8 1.0 O C:HOH182 4.5 20.0 1.0 O C:HOH115 4.8 31.6 1.0 O C:ARG98 4.9 12.9 1.0

Calcium binding site 6 out of 6 in the The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca102 b:37.5 occ:1.00 OD1 C:ASP15 2.3 20.9 1.0 O C:HOH136 2.4 30.3 1.0 O C:HOH118 2.4 28.0 1.0 O C:HOH111 2.5 37.5 1.0 O C:HOH156 2.6 35.9 1.0 O C:HOH141 3.2 27.4 1.0 CG C:ASP15 3.4 18.9 1.0 O C:GLU40 3.4 18.4 1.0 OD2 C:ASP15 3.7 24.7 1.0 O C:LEU41 4.4 20.5 1.0 CG2 C:ILE11 4.5 14.2 1.0 OE2 C:GLU40 4.6 33.2 0.8 C C:GLU40 4.6 18.9 1.0 CB C:ASP15 4.6 15.0 1.0 O C:ILE11 4.7 14.2 1.0 CA C:ASP15 4.8 14.9 1.0 CA C:GLY43 4.8 19.9 1.0 N C:ASP15 4.8 13.9 1.0 C C:LEU41 4.9 20.2 1.0 CD1 C:LEU18 4.9 13.6 1.0 N C:GLY43 4.9 20.5 1.0 O C:HOH181 4.9 22.3 1.0

A.Goulet, S.Spinelli, S.Blangy, H.Van Tilbeurgh, N.Leulliot, T.Basta, D.Prangishvili, C.Cambillau, V.Campanacci. The Thermo- and Acido-Stable Orf-99 From the Archaeal Virus AFV1 Protein Sci. V. 18 1316 2009.
ISSN: ISSN 0961-8368
PubMed: 19472363
DOI: 10.1002/PRO.122