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Manganese in PDB 4kqn: 2.8 Angstrom Resolution Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group

Enzymatic activity of 2.8 Angstrom Resolution Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group

All present enzymatic activity of 2.8 Angstrom Resolution Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group:
3.5.2.2;

Protein crystallography data

The structure of 2.8 Angstrom Resolution Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group, PDB code: 4kqn 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 (%) 20.6 / 26.7

Manganese Binding Sites:

The binding sites of Manganese atom in the 2.8 Angstrom Resolution Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group (pdb code 4kqn). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the 2.8 Angstrom Resolution Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group, PDB code: 4kqn:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 4kqn

Go back to Manganese Binding Sites List in 4kqn
Manganese binding site 1 out of 4 in the 2.8 Angstrom Resolution 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 2.8 Angstrom Resolution 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:48.1
occ:1.00
 NE2 A:HIS239 2.4 34.5 1.0
ND1 A:HIS183 2.5 37.6 1.0
MN A:MN502 2.7 33.9 1.0
NZ A:LYS150 3.1 35.9 1.0
CD2 A:HIS239 3.1 33.7 1.0
CE1 A:HIS183 3.2 38.5 1.0
CE1 A:HIS239 3.5 34.4 1.0
CG A:HIS183 3.7 37.9 1.0
O A:SER288 4.0 36.0 1.0
NE2 A:HIS58 4.1 33.6 1.0
CE1 A:HIS58 4.1 33.4 1.0
CE2 A:PHE152 4.1 38.6 1.0
CB A:HIS183 4.2 37.9 1.0
CE A:LYS150 4.2 36.0 1.0
OD2 A:ASP315 4.2 30.9 1.0
OD1 A:ASP315 4.3 32.6 1.0
CG2 A:VAL238 4.3 31.5 1.0
CG A:HIS239 4.4 33.3 1.0
NE2 A:HIS183 4.5 38.2 1.0
ND1 A:HIS239 4.5 33.9 1.0
CG A:ASP315 4.5 32.4 1.0
O A:HOH601 4.5 2.0 1.0
CD2 A:HIS183 4.7 37.5 1.0
CD2 A:PHE152 4.8 39.1 1.0
CZ A:PHE152 4.9 39.0 1.0

Manganese binding site 2 out of 4 in 4kqn

Go back to Manganese Binding Sites List in 4kqn
Manganese binding site 2 out of 4 in the 2.8 Angstrom Resolution 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 2.8 Angstrom Resolution 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:33.9
occ:1.00
 OD1 A:ASP315 2.1 32.6 1.0
NE2 A:HIS58 2.4 33.6 1.0
NE2 A:HIS60 2.5 39.5 1.0
MN A:MN501 2.7 48.1 1.0
CG A:ASP315 3.0 32.4 1.0
CE1 A:HIS60 3.0 39.9 1.0
O A:HOH601 3.1 2.0 1.0
NZ A:LYS150 3.3 35.9 1.0
CE1 A:HIS58 3.3 33.4 1.0
OD2 A:ASP315 3.3 30.9 1.0
CD2 A:HIS58 3.4 34.0 1.0
CD2 A:HIS60 3.7 40.1 1.0
CB A:ASP315 4.3 32.6 1.0
ND1 A:HIS60 4.3 40.2 1.0
ND1 A:HIS58 4.4 33.6 1.0
NE2 A:HIS239 4.5 34.5 1.0
CD2 A:HIS239 4.5 33.7 1.0
CG A:HIS58 4.5 33.8 1.0
CG A:HIS60 4.6 41.1 1.0
CE A:LYS150 4.8 36.0 1.0
CA A:ASP315 5.0 32.5 1.0
CE2 A:PHE152 5.0 38.6 1.0

Manganese binding site 3 out of 4 in 4kqn

Go back to Manganese Binding Sites List in 4kqn
Manganese binding site 3 out of 4 in the 2.8 Angstrom Resolution 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 2.8 Angstrom Resolution 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:43.1
occ:1.00
 ND1 B:HIS183 2.2 36.6 1.0
NE2 B:HIS239 2.5 33.1 1.0
CE1 B:HIS183 2.8 38.0 1.0
MN B:MN502 3.1 39.5 1.0
CD2 B:HIS239 3.4 32.3 1.0
NZ B:LYS150 3.4 37.9 1.0
CE1 B:HIS239 3.5 33.5 1.0
CG B:HIS183 3.5 36.4 1.0
O B:SER288 3.7 36.3 1.0
CB B:HIS183 4.1 36.5 1.0
CE2 B:PHE152 4.1 37.7 1.0
NE2 B:HIS183 4.1 38.3 1.0
O B:HOH601 4.2 15.4 1.0
OD2 B:ASP315 4.2 36.9 1.0
CE B:LYS150 4.4 38.2 1.0
NE2 B:HIS58 4.4 36.1 1.0
CD2 B:HIS183 4.4 36.3 1.0
OD1 B:ASP315 4.4 35.7 1.0
CE1 B:HIS58 4.5 35.2 1.0
CG B:HIS239 4.5 31.7 1.0
ND1 B:HIS239 4.5 32.5 1.0
CG2 B:VAL238 4.6 31.1 1.0
CG B:ASP315 4.6 35.9 1.0
CD2 B:PHE152 4.7 36.8 1.0
CE2 B:TYR155 4.9 43.2 1.0
C B:SER288 4.9 35.2 1.0
CZ B:PHE152 4.9 36.9 1.0

Manganese binding site 4 out of 4 in 4kqn

Go back to Manganese Binding Sites List in 4kqn
Manganese binding site 4 out of 4 in the 2.8 Angstrom Resolution 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 2.8 Angstrom Resolution 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:39.5
occ:1.00
 OD1 B:ASP315 2.2 35.7 1.0
NE2 B:HIS58 2.4 36.1 1.0
NE2 B:HIS60 2.4 42.1 1.0
CE1 B:HIS60 2.9 43.1 1.0
O B:HOH601 2.9 15.4 1.0
MN B:MN501 3.1 43.1 1.0
NZ B:LYS150 3.1 37.9 1.0
CG B:ASP315 3.2 35.9 1.0
CE1 B:HIS58 3.3 35.2 1.0
CD2 B:HIS58 3.4 36.7 1.0
OD2 B:ASP315 3.5 36.9 1.0
CD2 B:HIS60 3.7 43.0 1.0
ND1 B:HIS60 4.1 44.0 1.0
CB B:ASP315 4.5 35.6 1.0
ND1 B:HIS58 4.5 34.3 1.0
CG B:HIS58 4.5 35.9 1.0
NE2 B:HIS239 4.5 33.1 1.0
CG B:HIS60 4.5 44.0 1.0
CE B:LYS150 4.6 38.2 1.0
CD2 B:HIS239 4.6 32.3 1.0
CE2 B:PHE92 4.8 40.7 1.0
CD2 B:PHE92 4.9 41.5 1.0
CE2 B:PHE152 4.9 37.7 1.0
CZ B:PHE152 4.9 36.9 1.0

Reference:

V.Kumar, K.V.R.Kishan. 2.8 Angstrom Resolution Crystal Structure of D-Hydantoinase From Bacillus Sp. AR9 in C2221 Space Group To Be Published.
Page generated: Tue Dec 15 04:23:36 2020

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