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Bromine in PDB 3v8p: Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complex with A New Di-Adenosine Inhibitor Formed in Situ

Enzymatic activity of Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complex with A New Di-Adenosine Inhibitor Formed in Situ

All present enzymatic activity of Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complex with A New Di-Adenosine Inhibitor Formed in Situ:
2.7.1.23;

Protein crystallography data

The structure of Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complex with A New Di-Adenosine Inhibitor Formed in Situ, PDB code: 3v8p was solved by M.Gelin, G.Poncet-Montange, L.Assairi, L.Morellato, V.Huteau, L.Dugu, O.Dussurget, S.Pochet, G.Labesse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.51 / 2.29
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 62.950, 75.640, 118.760, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 24.6

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complex with A New Di-Adenosine Inhibitor Formed in Situ (pdb code 3v8p). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complex with A New Di-Adenosine Inhibitor Formed in Situ, PDB code: 3v8p:

Bromine binding site 1 out of 1 in 3v8p

Go back to Bromine Binding Sites List in 3v8p
Bromine binding site 1 out of 1 in the Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complex with A New Di-Adenosine Inhibitor Formed in Situ


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complex with A New Di-Adenosine Inhibitor Formed in Situ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br302

b:64.6
occ:0.50
 BR8 A:ZNB302 0.0 64.6 0.5
C8N A:ZNB302 1.9 41.5 0.8
N7N A:ZNB302 2.8 41.9 0.8
N9N A:ZNB302 2.9 38.2 0.8
C3' A:ZNB302 3.5 34.0 0.8
C1' A:ZNB302 3.5 35.6 0.8
C2' A:ZNB302 3.6 31.9 0.8
O4' A:ZNB302 3.6 38.9 0.8
C5N A:ZNB302 3.9 37.1 0.8
C4N A:ZNB302 4.0 35.3 0.8
C4' A:ZNB302 4.1 40.0 0.8
CD2 A:TYR163 4.2 20.1 0.8
CE2 A:TYR163 4.5 21.7 0.8
O A:HOH425 4.6 11.4 1.0
O3' A:ZNB302 4.7 28.9 0.8
O A:ASP222 4.7 32.8 1.0
C5' A:ZNB302 4.7 44.0 0.8
CG A:TYR163 4.7 14.5 0.8
N53 A:ZNB302 4.9 54.2 0.6
O2' A:ZNB302 5.0 29.8 0.8

Reference:

M.Gelin, G.Poncet-Montange, L.Assairi, L.Morellato, V.Huteau, L.Dugue, O.Dussurget, S.Pochet, G.Labesse. Screening and in Situ Synthesis Using Crystals of A Nad Kinase Lead to A Potent Antistaphylococcal Compound. Structure V. 20 1107 2012.
ISSN: ISSN 0969-2126
PubMed: 22608967
DOI: 10.1016/J.STR.2012.03.024
Page generated: Wed Jul 10 20:32:16 2024

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