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Manganese in PDB 7nro: Crystal Structure of Alkb in Complex with Manganese and N-(4-((6- ((Carboxymethyl)Carbamoyl)-5-Hydroxypyridin-2-Yl)Amino)Phenyl)-N- Oxohydroxylammonium

Enzymatic activity of Crystal Structure of Alkb in Complex with Manganese and N-(4-((6- ((Carboxymethyl)Carbamoyl)-5-Hydroxypyridin-2-Yl)Amino)Phenyl)-N- Oxohydroxylammonium

All present enzymatic activity of Crystal Structure of Alkb in Complex with Manganese and N-(4-((6- ((Carboxymethyl)Carbamoyl)-5-Hydroxypyridin-2-Yl)Amino)Phenyl)-N- Oxohydroxylammonium:
1.14.11.33;

Protein crystallography data

The structure of Crystal Structure of Alkb in Complex with Manganese and N-(4-((6- ((Carboxymethyl)Carbamoyl)-5-Hydroxypyridin-2-Yl)Amino)Phenyl)-N- Oxohydroxylammonium, PDB code: 7nro was solved by P.Maheswaran, T.Leissing, W.S.Aik, M.A.Mcdonough, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.15 / 1.25
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 36.88, 38.75, 40.25, 77.6, 75.38, 66.14
R / Rfree (%) 14.6 / 16.4

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Alkb in Complex with Manganese and N-(4-((6- ((Carboxymethyl)Carbamoyl)-5-Hydroxypyridin-2-Yl)Amino)Phenyl)-N- Oxohydroxylammonium (pdb code 7nro). 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 Crystal Structure of Alkb in Complex with Manganese and N-(4-((6- ((Carboxymethyl)Carbamoyl)-5-Hydroxypyridin-2-Yl)Amino)Phenyl)-N- Oxohydroxylammonium, PDB code: 7nro:

Manganese binding site 1 out of 1 in 7nro

Go back to Manganese Binding Sites List in 7nro
Manganese binding site 1 out of 1 in the Crystal Structure of Alkb in Complex with Manganese and N-(4-((6- ((Carboxymethyl)Carbamoyl)-5-Hydroxypyridin-2-Yl)Amino)Phenyl)-N- Oxohydroxylammonium


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Alkb in Complex with Manganese and N-(4-((6- ((Carboxymethyl)Carbamoyl)-5-Hydroxypyridin-2-Yl)Amino)Phenyl)-N- Oxohydroxylammonium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn302

b:12.6
occ:1.00
 OD1 A:ASP133 2.1 16.5 1.0
O A:UPW301 2.2 14.5 1.0
NE2 A:HIS187 2.2 12.3 1.0
NE2 A:HIS131 2.2 11.9 1.0
N1 A:UPW301 2.2 14.2 1.0
O A:HOH476 2.4 17.2 1.0
H3 A:UPW301 2.9 19.7 1.0
C A:UPW301 3.0 13.0 1.0
C3 A:UPW301 3.1 11.4 1.0
CE1 A:HIS187 3.1 10.4 1.0
CG A:ASP133 3.1 16.9 1.0
CE1 A:HIS131 3.2 12.5 1.0
CD2 A:HIS187 3.2 11.0 1.0
CD2 A:HIS131 3.2 12.7 1.0
HE1 A:HIS187 3.2 12.5 1.0
C4 A:UPW301 3.2 13.8 1.0
N2 A:UPW301 3.3 16.4 1.0
HE1 A:HIS131 3.3 15.0 1.0
HD2 A:HIS131 3.4 15.2 1.0
HD2 A:HIS187 3.4 13.2 1.0
OD2 A:ASP133 3.5 18.3 1.0
HH22 A:ARG210 3.8 15.8 0.8
O A:HOH587 4.1 23.4 1.0
C5 A:UPW301 4.2 17.3 1.0
ND1 A:HIS187 4.2 10.6 1.0
N A:UPW301 4.3 13.9 1.0
ND1 A:HIS131 4.3 14.3 1.0
HD13 A:LEU128 4.3 21.6 1.0
CG A:HIS187 4.3 10.3 1.0
CG A:HIS131 4.4 13.5 1.0
CB A:ASP133 4.4 15.6 1.0
HB2 A:ASP133 4.4 18.7 1.0
C13 A:UPW301 4.4 12.8 1.0
NH2 A:ARG210 4.5 13.2 0.8
C11 A:UPW301 4.5 13.0 1.0
HH22 A:ARG210 4.6 18.4 0.2
HH21 A:ARG210 4.7 15.8 0.8
H1 A:UPW301 4.7 19.9 1.0
H4 A:UPW301 4.8 21.9 1.0
H7 A:UPW301 4.8 20.8 1.0
HG21 A:THR208 4.8 15.1 1.0
C6 A:UPW301 4.8 18.2 1.0
C10 A:UPW301 4.8 17.4 1.0
HH21 A:ARG210 4.9 18.4 0.2
HD11 A:LEU128 4.9 21.6 1.0
H A:ASP133 5.0 15.6 1.0
C1 A:UPW301 5.0 16.6 1.0
CD1 A:LEU128 5.0 18.0 1.0
N A:ASP133 5.0 13.0 1.0

Reference:

S.Shishodia, M.Demetriades, D.Zhang, N.Tan, P.Maheswaran, C.Clunie-O'connor, A.Tumber, I.K.H.Leung, Y.M.Ng, T.M.Leissing, A.H.El-Sagheer, E.Salah, T.Brown, W.S.Aik, M.A.Mcdonough, C.J.Schofield. Structure Based Design of Selective Fat Mass and Obesity Associated Protein (Fto) Inhibitors J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
DOI: 10.1021/ACS.JMEDCHEM.1C01204
Page generated: Sun Oct 6 10:18:00 2024

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