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Manganese 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:

Bromine (Br) 1 atom

Manganese Binding Sites:

The binding sites of Manganese 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 Manganese atom.
In total only one binding site of Manganese 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:

Manganese binding site 1 out of 1 in 6z6r

Go back to Manganese Binding Sites List in 6z6r
Manganese 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 Manganese with other atoms in the Mn 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:Mn801

b:46.5
occ:1.00
 O A:HOH904 2.0 39.5 1.0
NE2 A:HIS679 2.1 44.6 1.0
O09 A:UQK804 2.2 56.3 1.0
O06 A:UQK804 2.2 41.9 1.0
NE2 A:HIS725 2.2 41.2 1.0
HE1 A:HIS679 2.8 48.4 1.0
CE1 A:HIS679 2.8 40.3 1.0
C07 A:UQK804 2.8 67.8 1.0
C05 A:UQK804 2.8 54.2 1.0
CD2 A:HIS725 2.9 36.3 1.0
HD2 A:HIS725 3.0 43.6 1.0
CE1 A:HIS725 3.4 49.4 1.0
CD2 A:HIS679 3.4 32.4 1.0
HB3 B:ASP103 3.7 33.5 1.0
HE1 A:HIS725 3.7 59.4 1.0
HD2 A:HIS679 3.7 39.0 1.0
HB2 A:UQK804 4.0 66.2 1.0
ND1 A:HIS679 4.0 47.6 1.0
O08 A:UQK804 4.0 78.5 1.0
CG A:HIS725 4.2 43.9 1.0
HB2 A:ASP721 4.2 48.0 1.0
N A:UQK804 4.2 55.0 1.0
HH11 A:ARG688 4.3 23.9 1.0
CG A:HIS679 4.3 29.8 1.0
O B:ASP103 4.3 27.6 1.0
ND1 A:HIS725 4.3 50.7 1.0
HH2 A:TRP625 4.4 36.4 1.0
HZ A:PHE719 4.5 58.1 1.0
CB B:ASP103 4.6 27.9 1.0
HB3 A:UQK804 4.7 66.2 1.0
CB A:UQK804 4.7 55.1 1.0
HD1 A:HIS679 4.7 57.2 1.0
HE2 A:PHE719 4.8 64.1 1.0
H A:UQK804 4.8 66.0 1.0
HG11 A:VAL676 4.8 29.1 1.0
HH12 A:ARG688 4.9 23.9 1.0
HD13 A:LEU619 4.9 47.2 1.0
NH1 A:ARG688 4.9 19.9 1.0
OD2 A:ASP721 5.0 29.9 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: Sun Oct 6 07:57:04 2024

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