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Vanadium 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:

Magnesium (Mg) 1 atom

Vanadium Binding Sites:

The binding sites of Vanadium 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 Vanadium atom.
In total only one binding site of Vanadium 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:

Vanadium binding site 1 out of 1 in 4hgp

Go back to Vanadium Binding Sites List in 4hgp
Vanadium 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 Vanadium with other atoms in the V 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:V202

b:18.1
occ:1.00
V A:VN4202 0.0 18.1 1.0
O1 A:VN4202 2.1 13.7 1.0
O2 A:VN4202 2.1 18.2 1.0
O3 A:VN4202 2.1 15.6 1.0
OD1 A:ASP14 2.1 14.5 1.0
O8 A:KDO203 2.1 16.0 0.4
O8 A:KDO203 3.0 17.0 0.6
CG A:ASP14 3.0 13.2 1.0
OD2 A:ASP14 3.3 14.3 1.0
MG A:MG201 3.4 13.6 1.0
C8 A:KDO203 3.4 17.4 0.4
N A:ASP16 3.7 11.7 1.0
O A:HOH302 3.8 17.7 1.0
OD2 A:ASP16 3.8 15.8 1.0
NZ A:LYS84 3.9 14.8 1.0
OG A:SER58 3.9 16.8 1.0
N A:GLY59 4.0 17.1 1.0
N A:VAL15 4.0 12.1 1.0
CB A:ASP16 4.1 12.9 1.0
O A:ASP16 4.1 14.1 1.0
C8 A:KDO203 4.2 19.0 0.6
O7 A:KDO203 4.2 19.0 0.4
CA A:SER58 4.2 17.4 1.0
CG A:ASP16 4.3 16.4 1.0
CA A:ASP16 4.4 14.3 1.0
CB A:ASP14 4.4 11.5 1.0
C7 A:KDO203 4.4 19.6 0.4
CB A:SER58 4.5 17.1 1.0
O A:HOH301 4.5 10.6 1.0
C A:VAL15 4.6 13.0 1.0
C7 A:KDO203 4.6 19.7 0.6
C A:SER58 4.7 17.0 1.0
C A:ASP16 4.7 11.8 1.0
CA A:VAL15 4.7 13.5 1.0
O A:LEU57 4.8 14.9 1.0
CA A:ASP14 4.8 11.8 1.0
C A:ASP14 4.9 12.7 1.0
CB A:VAL15 5.0 15.3 1.0
CA A:GLY59 5.0 18.0 1.0
CG1 A:VAL110 5.0 16.0 1.0
CE A:LYS84 5.0 14.6 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: Wed Dec 16 02:31:10 2020

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