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Magnesium in PDB 4hgp: Crystal Structure of 2-Keto-3-Deoxyoctulosonate 8-Phosphate Phosphohydrolase From Haemophilus Influenzae in Complex with Transition State Mimic

Enzymatic activity of Crystal Structure of 2-Keto-3-Deoxyoctulosonate 8-Phosphate Phosphohydrolase From Haemophilus Influenzae in Complex with Transition State Mimic

All present enzymatic activity of Crystal Structure of 2-Keto-3-Deoxyoctulosonate 8-Phosphate Phosphohydrolase From Haemophilus Influenzae in Complex with Transition State Mimic:
3.1.3.45;

Protein crystallography data

The structure of Crystal Structure of 2-Keto-3-Deoxyoctulosonate 8-Phosphate Phosphohydrolase From Haemophilus Influenzae in Complex with Transition State Mimic, PDB code: 4hgp was solved by K.D.Daughtry, K.N.Allen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.46 / 1.80
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 79.846, 79.846, 52.151, 90.00, 90.00, 90.00
R / Rfree (%) 14.7 / 17.3

Other elements in 4hgp:

The structure of Crystal Structure of 2-Keto-3-Deoxyoctulosonate 8-Phosphate Phosphohydrolase From Haemophilus Influenzae in Complex with Transition State Mimic also contains other interesting chemical elements:

Vanadium (V) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of 2-Keto-3-Deoxyoctulosonate 8-Phosphate Phosphohydrolase From Haemophilus Influenzae in Complex with Transition State Mimic (pdb code 4hgp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of 2-Keto-3-Deoxyoctulosonate 8-Phosphate Phosphohydrolase From Haemophilus Influenzae in Complex with Transition State Mimic, PDB code: 4hgp:

Magnesium binding site 1 out of 1 in 4hgp

Go back to Magnesium Binding Sites List in 4hgp
Magnesium binding site 1 out of 1 in the Crystal Structure of 2-Keto-3-Deoxyoctulosonate 8-Phosphate Phosphohydrolase From Haemophilus Influenzae in Complex with Transition State Mimic


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of 2-Keto-3-Deoxyoctulosonate 8-Phosphate Phosphohydrolase From Haemophilus Influenzae in Complex with Transition State Mimic within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg201

b:13.6
occ:1.00
 O2 A:VN4202 1.6 18.2 1.0
OD1 A:ASP107 2.0 14.3 1.0
OD2 A:ASP14 2.0 14.3 1.0
O A:HOH302 2.1 17.7 1.0
O A:HOH301 2.1 10.6 1.0
O A:ASP16 2.1 14.1 1.0
CG A:ASP14 3.1 13.2 1.0
CG A:ASP107 3.1 12.4 1.0
C A:ASP16 3.3 11.8 1.0
V A:VN4202 3.4 18.1 1.0
OD1 A:ASP14 3.5 14.5 1.0
OD2 A:ASP107 3.6 13.7 1.0
OD2 A:ASP111 3.9 12.5 1.0
CA A:ASP16 4.2 14.3 1.0
N A:ASP16 4.2 11.7 1.0
N A:GLY17 4.3 13.7 1.0
CB A:ASP14 4.3 11.5 1.0
O A:HOH360 4.3 15.4 1.0
CB A:ASP107 4.4 10.5 1.0
CB A:ASP16 4.4 12.9 1.0
CA A:GLY17 4.5 13.4 1.0
N A:ASP107 4.6 11.8 1.0
O8 A:KDO203 4.6 16.0 0.4
O3 A:VN4202 4.7 15.6 1.0
O1 A:VN4202 4.7 13.7 1.0
CB A:ASP108 4.8 11.9 1.0
C A:GLY17 4.8 12.3 1.0
N A:ASP108 4.8 11.3 1.0
CG A:ASP111 4.8 13.2 1.0
CA A:ASP107 4.9 11.5 1.0
C A:VAL15 4.9 13.0 1.0
OD1 A:ASP111 4.9 15.6 1.0
O8 A:KDO203 4.9 17.0 0.6
CG2 A:VAL18 4.9 10.5 1.0
N A:VAL18 4.9 11.1 1.0

Reference:

K.D.Daughtry, H.Huang, V.Malashkevich, Y.Patskovsky, W.Liu, U.Ramagopal, J.M.Sauder, S.K.Burley, S.C.Almo, D.Dunaway-Mariano, K.N.Allen. Structural Basis For the Divergence of Substrate Specificity and Biological Function Within Had Phosphatases in Lipopolysaccharide and Sialic Acid Biosynthesis. Biochemistry V. 52 5372 2013.
ISSN: ISSN 0006-2960
PubMed: 23848398
DOI: 10.1021/BI400659K
Page generated: Mon Dec 14 17:40:09 2020

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