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Bromine in PDB 6z6r: Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, N-Oxalyl-Alpha-Methylalanine, and Factor X Substrate Peptide Fragment(39MER-4SER)

Enzymatic activity of Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, N-Oxalyl-Alpha-Methylalanine, and Factor X Substrate Peptide Fragment(39MER-4SER)

All present enzymatic activity of Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, N-Oxalyl-Alpha-Methylalanine, and Factor X Substrate Peptide Fragment(39MER-4SER):
1.14.11.16; 3.4.21.6;

Protein crystallography data

The structure of Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, N-Oxalyl-Alpha-Methylalanine, and Factor X Substrate Peptide Fragment(39MER-4SER), PDB code: 6z6r was solved by Y.Nakashima, L.Brewitz, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.70 / 2.13
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.852, 90.59, 122.361, 90, 90, 90
R / Rfree (%) 21.2 / 24.2

Other elements in 6z6r:

The structure of Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, N-Oxalyl-Alpha-Methylalanine, and Factor X Substrate Peptide Fragment(39MER-4SER) also contains other interesting chemical elements:

Manganese (Mn) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, N-Oxalyl-Alpha-Methylalanine, and Factor X Substrate Peptide Fragment(39MER-4SER) (pdb code 6z6r). 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 Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, N-Oxalyl-Alpha-Methylalanine, and Factor X Substrate Peptide Fragment(39MER-4SER), PDB code: 6z6r:

Bromine binding site 1 out of 1 in 6z6r

Go back to Bromine Binding Sites List in 6z6r
Bromine binding site 1 out of 1 in the Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, N-Oxalyl-Alpha-Methylalanine, and Factor X Substrate Peptide Fragment(39MER-4SER)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Aspartyl/Asparaginyl Beta-Hydroxylase (Asph) Oxygenase and Tpr Domains in Complex with Manganese, N-Oxalyl-Alpha-Methylalanine, and Factor X Substrate Peptide Fragment(39MER-4SER) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br802

b:52.2
occ:1.00
 H A:GLN373 2.6 43.4 1.0
HA A:TYR371 3.0 47.8 1.0
HB2 A:GLN373 3.0 39.5 1.0
HD2 A:PRO372 3.2 42.7 1.0
N A:GLN373 3.4 36.1 1.0
C A:TYR371 3.6 35.8 1.0
HG3 A:GLN373 3.6 43.4 1.0
CA A:TYR371 3.7 39.7 1.0
N A:PRO372 3.7 34.1 1.0
OE1 A:GLN373 3.7 37.1 1.0
CB A:GLN373 3.7 32.8 1.0
HG2 A:PRO372 3.8 35.0 1.0
CD A:PRO372 3.8 35.5 1.0
HB3 A:TYR371 3.9 48.3 1.0
HD1 A:TYR371 4.0 42.7 1.0
CG A:GLN373 4.0 36.1 1.0
O A:TYR371 4.0 40.9 1.0
CA A:GLN373 4.1 31.7 1.0
H A:SER374 4.2 39.4 1.0
CD A:GLN373 4.3 42.0 1.0
CG A:PRO372 4.4 29.1 1.0
CB A:TYR371 4.4 40.1 1.0
HE2 A:PHE337 4.4 46.7 1.0
C A:PRO372 4.4 32.2 1.0
N A:SER374 4.5 32.7 1.0
C A:GLN373 4.5 34.5 1.0
HB3 A:GLN373 4.6 39.5 1.0
CA A:PRO372 4.6 33.1 1.0
CE2 A:PHE337 4.6 38.8 1.0
HD3 A:PRO372 4.7 42.7 1.0
CD1 A:TYR371 4.8 35.5 1.0
N A:TYR371 4.9 46.7 1.0
CZ A:PHE337 4.9 30.4 1.0
O A:LYS370 4.9 48.6 1.0
HG2 A:GLN373 4.9 43.4 1.0
HA A:GLN373 5.0 38.1 1.0
HZ A:PHE337 5.0 36.6 1.0

Reference:

L.Brewitz, Y.Nakashima, C.J.Schofield. Synthesis of 2-Oxoglutarate Derivatives and Their Evaluation As Cosubstrates and Inhibitors of Human Aspartate/Asparagine-Beta-Hydroxylase Chem Sci V. 12 1327 2021.
ISSN: ESSN 2041-6539
DOI: 10.1039/D0SC04301J
Page generated: Thu Jul 11 03:15:09 2024

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