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Bromine in PDB 8a7b: PCIDS1_D319N in Complex with MG2+ and 3-Br-Gpp

Enzymatic activity of PCIDS1_D319N in Complex with MG2+ and 3-Br-Gpp

All present enzymatic activity of PCIDS1_D319N in Complex with MG2+ and 3-Br-Gpp:
2.5.1.1;

Protein crystallography data

The structure of PCIDS1_D319N in Complex with MG2+ and 3-Br-Gpp, PDB code: 8a7b was solved by F.Ecker, W.Boland, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.31, 77.97, 88.71, 90, 101.26, 90
R / Rfree (%) 15.6 / 17.5

Other elements in 8a7b:

The structure of PCIDS1_D319N in Complex with MG2+ and 3-Br-Gpp also contains other interesting chemical elements:

Magnesium (Mg) 5 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the PCIDS1_D319N in Complex with MG2+ and 3-Br-Gpp (pdb code 8a7b). 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 PCIDS1_D319N in Complex with MG2+ and 3-Br-Gpp, PDB code: 8a7b:

Bromine binding site 1 out of 1 in 8a7b

Go back to Bromine Binding Sites List in 8a7b
Bromine binding site 1 out of 1 in the PCIDS1_D319N in Complex with MG2+ and 3-Br-Gpp


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of PCIDS1_D319N in Complex with MG2+ and 3-Br-Gpp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br508

b:38.9
occ:1.00
BR1 A:L7X508 0.0 38.9 1.0
C3 A:L7X508 1.9 28.7 1.0
C2 A:L7X508 2.9 26.5 1.0
C5 A:L7X508 2.9 27.2 1.0
C1 A:L7X508 3.2 24.5 1.0
OH A:TYR280 3.4 22.4 1.0
CE2 A:TYR280 3.8 21.4 1.0
O1 A:L7X508 3.9 23.1 1.0
CD2 A:LEU176 4.0 25.5 1.0
CZ A:TYR280 4.0 21.9 1.0
C6 A:L7X508 4.2 26.3 1.0
CG2 A:THR277 4.2 29.6 1.0
O A:LYS276 4.3 21.9 1.0
O A:HOH647 4.5 28.7 1.0
O A:HOH698 4.8 37.2 1.0
CE A:LYS276 4.8 28.4 1.0
CD2 A:TYR280 5.0 21.1 1.0

Reference:

F.Ecker, W.Boland, M.Groll. Metal-Dependent Enzyme Symmetry Guides the Biosynthetic Flux of Terpene Precursors To Be Published 2023.
DOI: 10.1038/S41557-023-01235-9
Page generated: Thu Jul 11 04:50:46 2024

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