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Manganese in PDB 2ocl: Crystal Structure of Valacyclovir Hydrolase S122A Mutant

Protein crystallography data

The structure of Crystal Structure of Valacyclovir Hydrolase S122A Mutant, PDB code: 2ocl was solved by L.Lai, Z.Xu, G.L.Amidon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.39 / 1.90
Space group P 62
Cell size a, b, c (Å), α, β, γ (°) 88.790, 88.790, 86.010, 90.00, 90.00, 120.00
R / Rfree (%) 18.4 / 20.8

Other elements in 2ocl:

The structure of Crystal Structure of Valacyclovir Hydrolase S122A Mutant also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Valacyclovir Hydrolase S122A Mutant (pdb code 2ocl). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of Valacyclovir Hydrolase S122A Mutant, PDB code: 2ocl:

Manganese binding site 1 out of 1 in 2ocl

Go back to Manganese Binding Sites List in 2ocl
Manganese binding site 1 out of 1 in the Crystal Structure of Valacyclovir Hydrolase S122A Mutant


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 Valacyclovir Hydrolase S122A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn301

b:20.4
occ:1.00
OD2 A:ASP78 2.1 19.1 1.0
ND1 A:HIS35 2.2 19.1 1.0
O A:HOH476 2.3 21.7 1.0
OE2 A:GLU57 2.3 18.8 1.0
OE1 A:GLU57 2.3 22.6 1.0
ND1 A:HIS84 2.5 20.8 1.0
CD A:GLU57 2.6 24.1 1.0
CE1 A:HIS35 2.9 20.9 1.0
CG A:ASP78 3.0 18.7 1.0
OD1 A:ASP78 3.3 18.0 1.0
CG A:HIS35 3.4 19.1 1.0
CE1 A:HIS84 3.4 21.8 1.0
CG A:HIS84 3.5 21.9 1.0
CB A:HIS84 3.8 19.8 1.0
CB A:HIS35 3.9 16.4 1.0
N A:HIS84 4.0 18.4 1.0
CG A:GLU57 4.2 20.8 1.0
NE2 A:HIS35 4.2 20.0 1.0
OE1 A:GLN37 4.3 22.5 1.0
CB A:ASP78 4.4 16.9 1.0
CD2 A:HIS35 4.4 21.0 1.0
NE2 A:HIS84 4.5 23.2 1.0
CA A:HIS84 4.5 20.9 1.0
CD2 A:HIS84 4.6 22.1 1.0
O A:HOH319 4.7 19.8 1.0
CB A:SER55 4.7 17.7 1.0
C A:HIS35 4.8 19.7 1.0
N A:TYR36 4.9 20.1 1.0
CD A:GLN37 4.9 21.9 1.0
C A:GLY83 4.9 19.3 1.0
N A:GLY56 4.9 18.3 1.0
CA A:GLY83 4.9 18.4 1.0
N A:GLU57 4.9 20.2 1.0
CB A:GLU57 5.0 21.4 1.0
CA A:HIS35 5.0 18.5 1.0

Reference:

L.Lai, Z.Xu, J.Zhou, K.D.Lee, G.L.Amidon. Molecular Basis of Prodrug Activation By Human Valacyclovirase, An Alpha-Amino Acid Ester Hydrolase. J.Biol.Chem. V. 283 9318 2008.
ISSN: ISSN 0021-9258
PubMed: 18256025
DOI: 10.1074/JBC.M709530200
Page generated: Tue Dec 15 04:04:03 2020

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