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Bromine in PDB 4h9g: Probing Ef-Tu with A Very Small Brominated Fragment Library Identifies the Cca Pocket

Enzymatic activity of Probing Ef-Tu with A Very Small Brominated Fragment Library Identifies the Cca Pocket

All present enzymatic activity of Probing Ef-Tu with A Very Small Brominated Fragment Library Identifies the Cca Pocket:
3.6.5.3;

Protein crystallography data

The structure of Probing Ef-Tu with A Very Small Brominated Fragment Library Identifies the Cca Pocket, PDB code: 4h9g was solved by M.K.Groftehauge, M.Therkelsen, R.H.Taaning, T.Skrydstrup, J.P.Morth, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.39 / 1.93
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 147.205, 98.627, 39.751, 90.00, 96.06, 90.00
R / Rfree (%) 15.4 / 18.4

Other elements in 4h9g:

The structure of Probing Ef-Tu with A Very Small Brominated Fragment Library Identifies the Cca Pocket also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Probing Ef-Tu with A Very Small Brominated Fragment Library Identifies the Cca Pocket (pdb code 4h9g). 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 Probing Ef-Tu with A Very Small Brominated Fragment Library Identifies the Cca Pocket, PDB code: 4h9g:

Bromine binding site 1 out of 1 in 4h9g

Go back to Bromine Binding Sites List in 4h9g
Bromine binding site 1 out of 1 in the Probing Ef-Tu with A Very Small Brominated Fragment Library Identifies the Cca Pocket


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Probing Ef-Tu with A Very Small Brominated Fragment Library Identifies the Cca Pocket within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br512

b:37.1
occ:0.70
 BR1 A:14J512 0.0 37.1 0.7
C04 A:14J512 1.9 29.1 0.7
C05 A:14J512 2.9 29.1 0.7
O03 A:14J512 2.9 33.5 0.7
O A:GLY287 3.0 20.7 1.0
C A:GLY287 3.4 21.2 1.0
N A:LEU289 3.7 17.8 1.0
O A:GLY269 3.8 18.7 1.0
CG A:GLU271 3.8 27.7 1.0
C A:GLY269 3.9 20.0 1.0
NH2 A:ARG234 3.9 63.5 1.0
N A:GLU271 3.9 22.1 1.0
C02 A:14J512 4.0 39.5 0.7
C01 A:14J512 4.0 38.5 0.7
N A:VAL288 4.0 18.4 1.0
CD A:GLU271 4.1 34.4 1.0
CB A:LEU289 4.1 20.4 1.0
CB A:GLU271 4.1 22.5 1.0
C A:VAL288 4.1 19.1 1.0
N A:VAL270 4.1 20.8 1.0
CA A:VAL288 4.2 19.6 1.0
CA A:GLY287 4.2 18.5 1.0
CA A:VAL270 4.2 23.3 1.0
C A:VAL270 4.3 27.2 1.0
CG1 A:VAL237 4.3 18.4 1.0
CA A:LEU289 4.4 18.8 1.0
OE1 A:GLU271 4.4 32.4 1.0
CG2 A:VAL237 4.4 28.6 1.0
CA A:GLY269 4.5 22.7 1.0
OE2 A:GLU271 4.6 40.3 1.0
CA A:GLU271 4.6 24.1 1.0
CZ A:ARG234 4.9 64.6 1.0
O A:HOH975 4.9 41.2 1.0
O A:VAL288 4.9 20.9 1.0
N A:GLY287 5.0 15.4 1.0

Reference:

M.K.Grftehauge, M.O.Therkelsen, R.Taaning, T.Skrydstrup, J.P.Morth, P.Nissen. Identifying Ligand-Binding Hot Spots in Proteins Using Brominated Fragments. Acta Crystallogr.,Sect.F V. 69 1060 2013.
ISSN: ESSN 1744-3091
PubMed: 23989163
DOI: 10.1107/S1744309113018551
Page generated: Wed Jul 10 21:25:25 2024

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