Manganese in PDB 4kir: Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group

All present enzymatic activity of Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group:
3.5.2.2;

The structure of Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group, PDB code: 4kir was solved by V.Kumar, K.V.R.Kishan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.41 / 2.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	90.877, 185.239, 113.447, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 27.1

The binding sites of Manganese atom in the Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group (pdb code 4kir). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group, PDB code: 4kir:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:62.1 occ:1.00 ND1 A:HIS183 2.1 72.5 1.0 NE2 A:HIS239 2.1 48.6 1.0 CE1 A:HIS183 2.2 70.2 1.0 MN A:MN502 2.8 38.5 1.0 CD2 A:HIS239 3.0 40.8 1.0 NZ A:LYS150 3.1 35.8 1.0 CE1 A:HIS239 3.2 41.9 1.0 CG A:HIS183 3.4 64.9 1.0 NE2 A:HIS183 3.5 63.3 1.0 CE A:LYS150 3.9 31.7 1.0 O A:SER288 3.9 36.6 1.0 CE1 A:HIS58 3.9 32.8 1.0 NE2 A:HIS58 4.0 33.4 1.0 CD2 A:HIS183 4.1 51.9 1.0 OD1 A:ASP315 4.1 29.8 1.0 CG A:HIS239 4.2 35.7 1.0 ND1 A:HIS239 4.2 37.9 1.0 CE2 A:PHE152 4.2 36.2 1.0 CB A:HIS183 4.3 59.9 1.0 OD2 A:ASP315 4.3 25.5 1.0 CG2 A:VAL238 4.4 26.6 1.0 O A:HOH601 4.5 4.6 1.0 CG A:ASP315 4.5 27.7 1.0 NE2 A:HIS60 4.8 48.1 1.0 CE1 A:HIS60 5.0 52.9 1.0 CZ A:PHE152 5.0 35.9 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn502 b:38.5 occ:1.00 OD1 A:ASP315 1.9 29.8 1.0 NE2 A:HIS58 2.1 33.4 1.0 NE2 A:HIS60 2.1 48.1 1.0 CE1 A:HIS60 2.6 52.9 1.0 MN A:MN501 2.8 62.1 1.0 CG A:ASP315 2.9 27.7 1.0 CE1 A:HIS58 2.9 32.8 1.0 NZ A:LYS150 3.0 35.8 1.0 O A:HOH601 3.2 4.6 1.0 CD2 A:HIS58 3.2 34.0 1.0 OD2 A:ASP315 3.4 25.5 1.0 CD2 A:HIS60 3.4 50.7 1.0 ND1 A:HIS60 3.9 46.9 1.0 ND1 A:HIS58 4.1 33.7 1.0 CB A:ASP315 4.1 26.1 1.0 NE2 A:HIS239 4.1 48.6 1.0 CD2 A:HIS239 4.2 40.8 1.0 CG A:HIS58 4.3 33.3 1.0 CG A:HIS60 4.3 49.0 1.0 CE A:LYS150 4.4 31.7 1.0 ND1 A:HIS183 4.7 72.5 1.0 CA A:ASP315 4.7 24.6 1.0 CE1 A:HIS183 4.8 70.2 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn501 b:58.8 occ:1.00 ND1 B:HIS183 2.1 52.9 1.0 NE2 B:HIS239 2.1 38.9 1.0 NZ B:LYS150 2.2 41.3 1.0 CE1 B:HIS183 2.4 57.3 1.0 MN B:MN502 2.8 47.1 1.0 CD2 B:HIS239 3.1 31.4 1.0 CE1 B:HIS239 3.1 38.4 1.0 CE B:LYS150 3.3 28.7 1.0 CG B:HIS183 3.4 51.9 1.0 NE2 B:HIS183 3.7 56.8 1.0 OD1 B:ASP315 3.7 30.8 1.0 CE1 B:HIS58 3.9 40.7 1.0 NE2 B:HIS58 3.9 44.3 1.0 O B:HOH601 4.0 18.8 1.0 CE2 B:PHE152 4.1 35.2 1.0 O B:SER288 4.1 43.8 1.0 CB B:HIS183 4.2 52.0 1.0 CD2 B:HIS183 4.2 44.1 1.0 CG B:HIS239 4.2 29.6 1.0 ND1 B:HIS239 4.2 33.0 1.0 CG2 B:VAL238 4.3 26.5 1.0 OD2 B:ASP315 4.4 36.8 1.0 CG B:ASP315 4.4 31.5 1.0 CE1 B:HIS60 4.8 54.5 1.0 NE2 B:HIS60 4.8 53.4 1.0 CZ B:PHE152 4.8 30.4 1.0 CD2 B:PHE152 4.9 32.0 1.0 CD B:LYS150 4.9 29.4 1.0 CA B:HIS183 5.0 39.7 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn502 b:47.1 occ:1.00 OD1 B:ASP315 2.0 30.8 1.0 NE2 B:HIS60 2.1 53.4 1.0 NE2 B:HIS58 2.1 44.3 1.0 NZ B:LYS150 2.2 41.3 1.0 CE1 B:HIS60 2.2 54.5 1.0 MN B:MN501 2.8 58.8 1.0 CE1 B:HIS58 3.0 40.7 1.0 O B:HOH601 3.1 18.8 1.0 CD2 B:HIS58 3.1 44.2 1.0 CG B:ASP315 3.2 31.5 1.0 CD2 B:HIS60 3.5 53.0 1.0 ND1 B:HIS60 3.5 52.1 1.0 CE B:LYS150 3.7 28.7 1.0 OD2 B:ASP315 3.8 36.8 1.0 CG B:HIS60 4.1 49.1 1.0 ND1 B:HIS58 4.2 31.8 1.0 NE2 B:HIS239 4.2 38.9 1.0 CG B:HIS58 4.3 37.5 1.0 CD2 B:HIS239 4.4 31.4 1.0 CB B:ASP315 4.5 28.6 1.0 CD B:LYS150 4.6 29.4 1.0 CE2 B:PHE92 4.7 40.9 1.0 ND1 B:HIS183 4.7 52.9 1.0 CD2 B:PHE92 4.7 43.0 1.0 CZ B:PHE152 4.9 30.4 1.0 CE2 B:PHE152 5.0 35.2 1.0

V.Kumar, K.V.R.Kishan. Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group To Be Published.