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Magnesium in PDB 8t7v: Co-Crystal Structure of KRIT1 with A 1-Hydroxy 2-Naphthaldehyde Derivative (6-(Furan-2-Yl)-2-Hydroxy-1-Naphthaldehyde)

Enzymatic activity of Co-Crystal Structure of KRIT1 with A 1-Hydroxy 2-Naphthaldehyde Derivative (6-(Furan-2-Yl)-2-Hydroxy-1-Naphthaldehyde)

All present enzymatic activity of Co-Crystal Structure of KRIT1 with A 1-Hydroxy 2-Naphthaldehyde Derivative (6-(Furan-2-Yl)-2-Hydroxy-1-Naphthaldehyde):
3.6.5.2;

Protein crystallography data

The structure of Co-Crystal Structure of KRIT1 with A 1-Hydroxy 2-Naphthaldehyde Derivative (6-(Furan-2-Yl)-2-Hydroxy-1-Naphthaldehyde), PDB code: 8t7v was solved by J.G.H.Bruystens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.24 / 2.25
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.546, 77.805, 58.827, 90, 92.19, 90
R / Rfree (%) 20.2 / 25

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Co-Crystal Structure of KRIT1 with A 1-Hydroxy 2-Naphthaldehyde Derivative (6-(Furan-2-Yl)-2-Hydroxy-1-Naphthaldehyde) (pdb code 8t7v). 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 Co-Crystal Structure of KRIT1 with A 1-Hydroxy 2-Naphthaldehyde Derivative (6-(Furan-2-Yl)-2-Hydroxy-1-Naphthaldehyde), PDB code: 8t7v:

Magnesium binding site 1 out of 1 in 8t7v

Go back to Magnesium Binding Sites List in 8t7v
Magnesium binding site 1 out of 1 in the Co-Crystal Structure of KRIT1 with A 1-Hydroxy 2-Naphthaldehyde Derivative (6-(Furan-2-Yl)-2-Hydroxy-1-Naphthaldehyde)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Co-Crystal Structure of KRIT1 with A 1-Hydroxy 2-Naphthaldehyde Derivative (6-(Furan-2-Yl)-2-Hydroxy-1-Naphthaldehyde) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg200

b:39.8
occ:1.00
 O1G B:GNP201 2.1 44.1 1.0
O1B B:GNP201 2.1 32.7 1.0
OG B:SER17 2.1 30.5 1.0
O B:HOH302 2.1 34.7 1.0
O B:HOH301 2.2 29.8 1.0
OG1 B:THR35 2.3 39.2 1.0
CB B:THR35 3.1 35.8 1.0
PG B:GNP201 3.3 34.6 1.0
CB B:SER17 3.3 26.8 1.0
PB B:GNP201 3.3 36.0 1.0
N3B B:GNP201 3.5 25.3 1.0
OD2 B:ASP57 3.8 56.1 1.0
N B:THR35 3.8 38.7 1.0
N B:SER17 3.9 29.2 1.0
O2G B:GNP201 4.0 36.1 1.0
O2A B:GNP201 4.0 32.4 1.0
CA B:THR35 4.0 37.8 1.0
CG2 B:THR35 4.2 44.8 1.0
CA B:SER17 4.2 31.6 1.0
OD1 B:ASP57 4.2 52.9 1.0
O2B B:GNP201 4.2 34.8 1.0
O B:ASP33 4.3 53.8 1.0
CG B:ASP57 4.4 43.1 1.0
NH2 A:ARG452 4.4 66.4 1.0
O3A B:GNP201 4.4 40.5 1.0
O3G B:GNP201 4.5 35.2 1.0
O B:THR58 4.5 33.8 1.0
PA B:GNP201 4.6 30.8 1.0
O1A B:GNP201 4.7 31.3 1.0
C B:PRO34 4.8 48.9 1.0
CB B:LYS16 4.9 30.3 1.0
C B:LYS16 5.0 35.1 1.0

Reference:

K.R.Francisco, J.Bruystens, C.Varricchio, S.Mccurdy, J.Wu, M.A.Lopez-Ramirez, M.Ginsberg, C.R.Caffrey, A.Brancale, A.R.Gingras, M.S.Hixon, C.Ballatore. Targeted Reversible Covalent Modification of A Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening For Protein-Protein Interaction Inhibitors. Acs Pharmacol Transl Sci V. 6 1651 2023.
ISSN: ESSN 2575-910
PubMed: 37974623
DOI: 10.1021/ACSPTSCI.3C00156
Page generated: Thu Dec 28 10:25:20 2023

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