Calcium in PDB 6qe7: Anti-Sigma Factor Domain-Containing Protein

The structure of Anti-Sigma Factor Domain-Containing Protein, PDB code: 6qe7 was solved by M.Voronov, O.Livnah, E.A.Bayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.42 / 2.06
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.340, 121.670, 65.940, 90.00, 106.39, 90.00
R / Rfree (%)	18.7 / 25.5

The binding sites of Calcium atom in the Anti-Sigma Factor Domain-Containing Protein (pdb code 6qe7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Anti-Sigma Factor Domain-Containing Protein, PDB code: 6qe7:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Anti-Sigma Factor Domain-Containing Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Anti-Sigma Factor Domain-Containing Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:30.9 occ:1.00 OE1 A:GLN130 2.3 31.1 1.0 OD1 A:ASP86 2.3 27.4 1.0 O A:ALA134 2.3 27.8 1.0 O A:VAL132 2.3 23.7 1.0 OD1 A:ASP87 2.4 30.2 1.0 O A:HOH551 2.7 33.8 1.0 O A:HOH570 2.7 33.2 1.0 CG A:ASP86 3.2 32.6 1.0 CG A:ASP87 3.3 27.8 1.0 CD A:GLN130 3.4 27.2 1.0 C A:VAL132 3.5 31.6 1.0 C A:ALA134 3.5 26.9 1.0 OD2 A:ASP86 3.6 33.4 1.0 OD2 A:ASP87 3.6 29.3 1.0 N A:VAL132 3.8 26.3 1.0 N A:ALA134 3.9 31.7 1.0 NE2 A:GLN130 3.9 27.8 1.0 C A:ARG133 4.1 33.0 1.0 N A:HIS131 4.2 28.4 1.0 CA A:VAL132 4.3 30.6 1.0 CA A:ALA134 4.3 32.7 1.0 C A:ASP86 4.3 29.4 1.0 N A:ASP87 4.3 25.9 1.0 O A:ASP86 4.4 27.1 1.0 N A:ALA135 4.5 30.2 1.0 N A:ARG133 4.5 38.8 1.0 CB A:ASP86 4.5 34.7 1.0 C A:HIS131 4.6 27.0 1.0 O A:ARG133 4.6 35.1 1.0 CB A:ASP87 4.6 28.2 1.0 CG A:GLN130 4.6 26.4 1.0 CA A:ARG133 4.7 31.2 1.0 CA A:ALA135 4.7 27.0 1.0 CB A:ARG133 4.7 30.3 1.0 CA A:GLN130 4.8 24.8 1.0 CA A:HIS131 4.8 28.3 1.0 CA A:ASP87 4.8 28.1 1.0 CA A:ASP86 4.9 32.8 1.0 C A:GLN130 5.0 25.5 1.0 CB A:GLN130 5.0 24.3 1.0

Calcium binding site 2 out of 6 in the Anti-Sigma Factor Domain-Containing Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Anti-Sigma Factor Domain-Containing Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:27.8 occ:1.00 O A:ASN29 2.3 22.6 1.0 OG1 A:THR62 2.4 26.9 1.0 O A:HOH579 2.4 28.6 1.0 O A:THR62 2.4 22.0 1.0 O A:HOH519 2.4 25.6 1.0 O A:HOH521 2.5 28.5 1.0 O A:HOH627 2.5 28.3 1.0 O A:ASP61 2.6 24.1 1.0 C A:THR62 3.3 26.8 1.0 C A:ASN29 3.4 24.0 1.0 CB A:THR62 3.5 25.8 1.0 C A:ASP61 3.6 25.5 1.0 CA A:THR62 3.8 27.2 1.0 N A:THR62 4.1 24.3 1.0 CA A:ASN29 4.3 27.0 1.0 N A:TYR63 4.3 20.7 1.0 N A:ASN30 4.3 26.2 1.0 O A:HOH569 4.4 43.0 1.0 O A:GLY59 4.4 29.6 1.0 O A:LYS60 4.4 27.7 1.0 CA A:ASN30 4.5 26.3 1.0 OD1 A:ASN30 4.6 25.7 1.0 OD1 A:ASN29 4.6 29.3 1.0 O A:HOH651 4.6 39.2 1.0 CB A:ASN29 4.6 27.6 1.0 CG2 A:THR62 4.7 29.4 1.0 CA A:TYR63 4.7 21.7 1.0 O A:HOH658 4.9 36.9 1.0 CB A:TYR63 4.9 21.4 1.0 CA A:ASP61 4.9 28.6 1.0

Calcium binding site 3 out of 6 in the Anti-Sigma Factor Domain-Containing Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Anti-Sigma Factor Domain-Containing Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:35.0 occ:1.00 OD1 B:ASP86 2.1 28.5 1.0 O B:VAL132 2.2 34.5 1.0 OE1 B:GLN130 2.3 34.8 1.0 O B:ALA134 2.4 39.9 1.0 OD1 B:ASP87 2.4 41.3 1.0 O B:HOH512 2.6 36.8 1.0 O B:HOH532 2.7 45.8 1.0 CG B:ASP86 3.2 41.1 1.0 CG B:ASP87 3.2 42.6 1.0 C B:VAL132 3.4 41.4 1.0 CD B:GLN130 3.4 36.9 1.0 OD2 B:ASP87 3.4 42.2 1.0 C B:ALA134 3.6 44.2 1.0 OD2 B:ASP86 3.7 41.1 1.0 N B:VAL132 3.7 37.7 1.0 NE2 B:GLN130 3.9 34.4 1.0 N B:ALA134 4.1 33.4 1.0 C B:ARG133 4.2 36.3 1.0 CA B:VAL132 4.2 42.8 1.0 C B:ASP86 4.3 36.5 1.0 N B:HIS131 4.3 44.6 1.0 N B:ASP87 4.4 37.2 1.0 O B:ASP86 4.4 31.4 1.0 N B:ARG133 4.4 43.4 1.0 CB B:ASP86 4.4 41.8 1.0 CA B:ALA134 4.5 39.5 1.0 CB B:ASP87 4.5 37.2 1.0 O B:ARG133 4.5 41.5 1.0 C B:HIS131 4.6 37.4 1.0 N B:ALA135 4.6 36.7 1.0 CB B:ARG133 4.7 62.9 1.0 CA B:ARG133 4.7 54.1 1.0 CG B:GLN130 4.7 34.4 1.0 O B:GLN105 4.7 42.0 1.0 CA B:ALA135 4.8 36.9 1.0 CA B:ASP87 4.8 39.3 1.0 CA B:ASP86 4.8 38.9 1.0 CA B:HIS131 4.9 41.9 1.0 CA B:GLN130 4.9 36.1 1.0

Calcium binding site 4 out of 6 in the Anti-Sigma Factor Domain-Containing Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Anti-Sigma Factor Domain-Containing Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:40.9 occ:1.00 O B:THR62 2.2 29.6 1.0 O B:HOH570 2.3 38.6 1.0 OG1 B:THR62 2.3 41.0 1.0 O B:HOH517 2.4 38.6 1.0 O B:ASN29 2.4 43.8 1.0 O B:HOH529 2.4 38.5 1.0 O B:HOH593 2.5 42.1 1.0 O B:ASP61 2.6 38.5 1.0 C B:THR62 3.1 37.2 1.0 CB B:THR62 3.3 37.5 1.0 C B:ASN29 3.5 39.6 1.0 C B:ASP61 3.6 40.0 1.0 CA B:THR62 3.6 38.8 1.0 N B:THR62 4.0 42.0 1.0 N B:TYR63 4.2 35.2 1.0 CA B:ASN29 4.3 40.0 1.0 O B:GLY59 4.4 44.9 1.0 N B:ASN30 4.4 40.4 1.0 O B:LYS60 4.4 40.3 1.0 CA B:ASN30 4.5 37.7 1.0 OD1 B:ASN30 4.5 37.0 1.0 OD1 B:ASN29 4.6 41.3 1.0 CB B:TYR63 4.6 41.3 1.0 CG2 B:THR62 4.6 40.0 1.0 CA B:TYR63 4.7 37.2 1.0 CB B:ASN29 4.7 38.9 1.0 CA B:ASP61 4.8 46.6 1.0 C B:GLY59 5.0 48.7 1.0

Calcium binding site 5 out of 6 in the Anti-Sigma Factor Domain-Containing Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Anti-Sigma Factor Domain-Containing Protein within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca401 b:37.2 occ:1.00 O C:ALA134 2.1 34.9 1.0 O C:VAL132 2.3 41.9 1.0 OD1 C:ASP86 2.3 42.9 1.0 O C:HOH551 2.3 36.1 1.0 OE1 C:GLN130 2.4 43.4 1.0 O C:HOH538 2.5 31.4 1.0 OD1 C:ASP87 2.7 38.2 1.0 CG C:ASP86 3.2 38.3 1.0 C C:ALA134 3.3 41.4 1.0 CD C:GLN130 3.5 39.3 1.0 CG C:ASP87 3.5 34.5 1.0 C C:VAL132 3.5 51.9 1.0 OD2 C:ASP86 3.6 46.9 1.0 OD2 C:ASP87 3.7 44.4 1.0 NE2 C:GLN130 3.9 40.0 1.0 N C:ALA134 3.9 40.7 1.0 N C:VAL132 3.9 41.2 1.0 C C:ARG133 4.1 45.9 1.0 CA C:ALA134 4.2 42.3 1.0 C C:ASP86 4.3 36.3 1.0 O C:ARG133 4.3 41.4 1.0 N C:HIS131 4.3 40.5 1.0 CA C:VAL132 4.3 48.6 1.0 N C:ALA135 4.3 41.5 1.0 O C:ASP86 4.3 36.4 1.0 CB C:ASP86 4.4 42.6 1.0 N C:ARG133 4.4 46.6 1.0 N C:ASP87 4.4 38.8 1.0 CA C:ARG133 4.6 44.8 1.0 CA C:ALA135 4.7 44.4 1.0 CB C:ASP87 4.7 34.4 1.0 C C:HIS131 4.7 44.9 1.0 CB C:ARG133 4.7 40.4 1.0 CB C:ALA134 4.8 41.8 1.0 CG C:GLN130 4.8 40.6 1.0 CA C:ASP86 4.8 37.9 1.0 CA C:GLN130 4.9 37.1 1.0 CA C:ASP87 4.9 36.8 1.0 CA C:HIS131 5.0 40.4 1.0 O C:GLN105 5.0 42.2 1.0

Calcium binding site 6 out of 6 in the Anti-Sigma Factor Domain-Containing Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Anti-Sigma Factor Domain-Containing Protein within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca402 b:37.4 occ:1.00 O C:HOH536 2.2 40.7 1.0 O C:THR62 2.3 41.2 1.0 OG1 C:THR62 2.3 36.3 1.0 O C:ASN29 2.3 41.1 1.0 O C:HOH524 2.4 52.5 1.0 O C:HOH568 2.4 41.0 1.0 O C:ASP61 2.5 34.6 1.0 O C:HOH642 2.8 48.2 1.0 C C:THR62 3.1 37.0 1.0 CB C:THR62 3.3 43.6 1.0 C C:ASP61 3.5 34.6 1.0 C C:ASN29 3.5 37.3 1.0 CA C:THR62 3.6 39.1 1.0 N C:THR62 3.9 33.8 1.0 N C:TYR63 4.1 39.2 1.0 O C:LYS60 4.2 39.1 1.0 CA C:ASN29 4.3 43.5 1.0 O C:HOH520 4.3 38.6 1.0 O C:GLY59 4.5 41.6 1.0 N C:ASN30 4.5 36.5 1.0 CA C:ASN30 4.5 35.2 1.0 CB C:ASN29 4.6 45.8 1.0 OD1 C:ASN29 4.6 40.1 1.0 CA C:TYR63 4.6 41.7 1.0 CB C:TYR63 4.6 41.6 1.0 OD1 C:ASN30 4.6 40.7 1.0 CG2 C:THR62 4.6 49.2 1.0 CA C:ASP61 4.8 40.1 1.0 C C:LYS60 4.9 43.6 1.0

I.R.Grinberg, O.Yaniv, L.O.De Ora, I.Munoz-Gutierrez, A.Hershko, O.Livnah, E.A.Bayer, I.Borovok, F.Frolow, R.Lamed, M.Voronov-Goldman. Distinctive Ligand-Binding Specificities of Tandem PA14 Biomass-Sensory Elements From Clostridium Thermocellum and Clostridium Clariflavum. Proteins V. 87 917 2019.
ISSN: ESSN 1097-0134
PubMed: 31162722
DOI: 10.1002/PROT.25753