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Magnesium in PDB 4lbv: Identifying Ligand Binding Hot Spots in Proteins Using Brominated Fragments

Protein crystallography data

The structure of Identifying Ligand Binding Hot Spots in Proteins Using Brominated Fragments, PDB code: 4lbv was solved by M.K.Groftehauge, M.Therkelsen, R.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) 28.08 / 2.03
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 147.380, 98.610, 39.780, 90.00, 95.97, 90.00
R / Rfree (%) 16.2 / 19.3

Other elements in 4lbv:

The structure of Identifying Ligand Binding Hot Spots in Proteins Using Brominated Fragments also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Identifying Ligand Binding Hot Spots in Proteins Using Brominated Fragments (pdb code 4lbv). 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 Identifying Ligand Binding Hot Spots in Proteins Using Brominated Fragments, PDB code: 4lbv:

Magnesium binding site 1 out of 1 in 4lbv

Go back to Magnesium Binding Sites List in 4lbv
Magnesium binding site 1 out of 1 in the Identifying Ligand Binding Hot Spots in Proteins Using Brominated Fragments


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Identifying Ligand Binding Hot Spots in Proteins Using Brominated Fragments within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:12.1
occ:1.00
O1G A:GNP501 2.0 11.9 1.0
OG1 A:THR25 2.1 16.4 1.0
O A:HOH604 2.1 15.5 1.0
OG1 A:THR62 2.1 14.8 1.0
O2B A:GNP501 2.1 12.4 1.0
O A:HOH608 2.2 15.0 1.0
CB A:THR62 3.1 11.9 1.0
CB A:THR25 3.2 21.2 1.0
PG A:GNP501 3.2 18.7 1.0
PB A:GNP501 3.2 17.3 1.0
N3B A:GNP501 3.3 17.1 1.0
N A:THR25 3.7 14.0 1.0
O3G A:GNP501 4.0 17.2 1.0
CA A:THR25 4.0 17.1 1.0
OD2 A:ASP51 4.0 18.8 1.0
OD2 A:ASP81 4.0 15.8 1.0
CG2 A:THR62 4.1 14.6 1.0
O1B A:GNP501 4.2 12.2 1.0
N A:THR62 4.2 16.9 1.0
CA A:THR62 4.2 12.2 1.0
O2A A:GNP501 4.3 16.7 1.0
OD1 A:ASP51 4.3 19.3 1.0
CG2 A:THR25 4.3 21.6 1.0
O2G A:GNP501 4.3 17.6 1.0
O3A A:GNP501 4.3 18.5 1.0
OD1 A:ASP81 4.4 15.9 1.0
O A:CYS82 4.5 14.8 1.0
CB A:LYS24 4.5 11.6 1.0
CE A:LYS24 4.6 13.5 1.0
CG A:ASP51 4.6 17.3 1.0
CG A:ASP81 4.7 18.0 1.0
PA A:GNP501 4.7 19.4 1.0
C A:LYS24 4.7 15.2 1.0
O1A A:GNP501 4.8 22.1 1.0
NZ A:LYS24 4.9 12.2 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: Sat Aug 17 04:52:06 2024

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