Calcium in PDB 6j42: Crystal Structure of Wild Type Katb, A Manganese Catalase From Anabaena

The structure of Crystal Structure of Wild Type Katb, A Manganese Catalase From Anabaena, PDB code: 6j42 was solved by S.C.Bihani, D.Chakravarty, A.Ballal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.59 / 2.49
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	102.070, 102.070, 138.980, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 26.1

The structure of Crystal Structure of Wild Type Katb, A Manganese Catalase From Anabaena also contains other interesting chemical elements:

Manganese

(Mn)

6 atoms

The binding sites of Calcium atom in the Crystal Structure of Wild Type Katb, A Manganese Catalase From Anabaena (pdb code 6j42). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Crystal Structure of Wild Type Katb, A Manganese Catalase From Anabaena, PDB code: 6j42:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Crystal Structure of Wild Type Katb, A Manganese Catalase From Anabaena


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 Wild Type Katb, A Manganese Catalase From Anabaena within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:47.2 occ:1.00 OD1 A:ASP56 2.4 43.5 1.0 OD2 A:ASP60 2.4 51.2 1.0 OD1 A:ASP60 2.7 49.4 1.0 OD2 A:ASP56 2.7 41.4 1.0 CG A:ASP56 2.9 44.8 1.0 CG A:ASP60 2.9 45.9 1.0 O A:ASP56 4.3 39.5 1.0 CB A:ASP56 4.4 46.4 1.0 CB A:ASP60 4.4 39.8 1.0 NZ B:LYS6 4.6 44.9 1.0 C A:ASP56 4.8 39.9 1.0 CE B:LYS6 4.8 47.9 1.0 O A:HOH404 5.0 37.9 1.0

Calcium binding site 2 out of 5 in the Crystal Structure of Wild Type Katb, A Manganese Catalase From Anabaena


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 Wild Type Katb, A Manganese Catalase From Anabaena within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:53.2 occ:1.00 O A:GLN107 2.4 39.9 1.0 O C:GLN107 2.5 36.6 1.0 C A:GLN107 3.5 32.5 1.0 C C:GLN107 3.6 38.2 1.0 CA A:GLN107 4.0 34.5 1.0 CA C:GLN107 4.1 39.3 1.0 CB A:GLN107 4.1 37.1 1.0 CB C:GLN107 4.2 39.1 1.0 OE1 A:GLN107 4.4 43.3 1.0 OE1 C:GLN107 4.5 43.1 1.0 N A:GLY108 4.7 33.5 1.0 N C:GLY108 4.7 37.6 1.0

Calcium binding site 3 out of 5 in the Crystal Structure of Wild Type Katb, A Manganese Catalase From Anabaena


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Wild Type Katb, A Manganese Catalase From Anabaena within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca303 b:45.7 occ:1.00 OD1 B:ASN109 2.7 40.9 1.0 O B:HOH429 3.2 43.1 1.0 CG B:ASN109 3.6 37.4 1.0 CB B:ASN109 4.1 32.3 1.0 O B:HOH409 4.2 34.9 1.0 CA B:ASN109 4.2 35.5 1.0 O B:HOH401 4.4 37.8 1.0 ND2 B:ASN109 4.6 37.3 1.0

Calcium binding site 4 out of 5 in the Crystal Structure of Wild Type Katb, A Manganese Catalase From Anabaena


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Wild Type Katb, A Manganese Catalase From Anabaena within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca304 b:56.1 occ:1.00 OD1 C:ASN199 2.4 47.4 1.0 OD1 B:ASP56 2.5 51.8 1.0 O C:SER201 2.6 53.9 1.0 OD2 B:ASP60 2.6 49.8 1.0 O C:HOH412 2.8 42.5 1.0 OD1 B:ASP60 2.8 49.4 1.0 OD2 B:ASP56 2.9 55.1 1.0 CG B:ASP56 3.1 51.4 1.0 CG B:ASP60 3.1 47.5 1.0 CG C:ASN199 3.4 51.9 1.0 C C:SER201 3.7 54.1 1.0 ND2 C:ASN199 4.3 55.9 1.0 CB C:ASN199 4.3 55.6 1.0 CA C:ASN199 4.5 52.5 1.0 OH C:TYR221 4.5 53.9 1.0 N C:SER201 4.5 43.4 1.0 CB B:ASP56 4.5 48.9 1.0 O B:ASP56 4.6 50.4 1.0 CB B:ASP60 4.6 43.7 1.0 CA C:SER201 4.6 51.4 1.0 N C:SER202 4.6 52.5 1.0 CA C:SER202 4.7 51.2 1.0 O C:GLU209 4.8 56.6 1.0 C C:ASN199 4.9 50.6 1.0 CB C:SER201 4.9 46.3 1.0 NZ A:LYS6 4.9 45.5 1.0 OH C:TYR197 5.0 44.7 1.0 CB C:SER202 5.0 53.0 1.0

Calcium binding site 5 out of 5 in the Crystal Structure of Wild Type Katb, A Manganese Catalase From Anabaena


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Wild Type Katb, A Manganese Catalase From Anabaena within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca303 b:68.3 occ:1.00 O B:SER201 2.4 52.4 1.0 OD1 B:ASN199 2.5 74.3 1.0 OD2 C:ASP56 2.5 68.9 1.0 OD1 C:ASP56 2.5 56.5 1.0 OD2 C:ASP60 2.7 65.3 1.0 OD1 C:ASP60 2.8 67.6 1.0 CG C:ASP56 2.9 59.5 1.0 CG C:ASP60 3.1 69.7 1.0 CG B:ASN199 3.6 72.3 1.0 C B:SER201 3.6 65.5 1.0 CB C:ASP56 4.4 63.8 1.0 ND2 B:ASN199 4.4 75.1 1.0 CA B:SER201 4.5 66.8 1.0 N B:SER201 4.5 64.2 1.0 O C:ASP56 4.5 58.2 1.0 OD1 B:ASP208 4.6 76.3 1.0 CB B:ASN199 4.6 73.7 1.0 CB C:ASP60 4.6 64.7 1.0 CA B:ASN199 4.6 70.2 1.0 CB B:SER201 4.7 62.2 1.0 OH B:TYR221 4.9 73.6 1.0 C C:ASP56 4.9 60.0 1.0 O B:GLU209 4.9 69.8 1.0 C B:ASN199 5.0 68.6 1.0 OH B:TYR197 5.0 60.2 1.0

D.Chakravarty, S.C.Bihani, M.Banerjee, A.Ballal. Molecular Basis of the Unique Role Played By An N-Terminal Non-Active Site Residue of Cyanobacterial Mn-Catalase in Structure-Function Maintenance To Be Published.