Magnesium in PDB 9bfa: Bcat Mutant

All present enzymatic activity of Bcat Mutant:
2.6.1.42;

The structure of Bcat Mutant, PDB code: 9bfa was solved by M.Dong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.45 / 1.79
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	110.284, 115.63, 149.413, 90, 90, 90
R / Rfree (%)	23.2 / 26.8

The binding sites of Magnesium atom in the Bcat Mutant (pdb code 9bfa). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Bcat Mutant, PDB code: 9bfa:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Bcat Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Bcat Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:39.7 occ:1.00 NH1 B:ARG212 2.9 24.1 1.0 OH B:TYR227 2.9 32.4 1.0 O B:CYS221 3.0 26.7 1.0 O B:GLY219 3.1 26.6 1.0 ND2 B:ASN226 3.3 31.7 1.0 CD1 B:LEU286 3.4 31.6 1.0 CZ B:TYR227 3.5 30.8 1.0 CB B:ASN226 3.7 30.2 1.0 CG B:ASN226 3.8 32.4 1.0 CZ B:ARG212 3.9 26.1 1.0 C B:GLY219 3.9 24.5 1.0 CE2 B:TYR227 3.9 26.2 1.0 NH2 B:ARG212 3.9 25.1 1.0 C2' B:LLP222 4.0 29.7 1.0 CA B:GLY219 4.1 24.9 1.0 C B:CYS221 4.1 28.0 1.0 CE1 B:TYR227 4.3 29.6 1.0 CB B:LEU286 4.4 27.4 1.0 CG B:LEU286 4.5 30.4 1.0 O3 B:LLP222 4.5 27.4 1.0 O B:THR218 4.6 24.3 1.0 CA B:LLP222 4.7 27.7 1.0 N B:CYS221 4.7 27.2 1.0 N B:LLP222 4.8 25.9 1.0 OD1 B:ASN226 4.8 41.2 1.0 C2 B:LLP222 4.9 27.9 1.0 N B:ASP220 4.9 25.6 1.0 CD2 B:TYR227 5.0 24.9 1.0

Magnesium binding site 2 out of 3 in the Bcat Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Bcat Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:43.8 occ:1.00 O B:HOH565 2.7 31.4 1.0 O B:HOH595 2.7 26.0 1.0 O B:ALA213 2.9 30.4 1.0 N B:ALA213 3.3 26.9 1.0 N B:ARG212 3.7 29.5 1.0 C B:ALA213 3.8 26.0 1.0 CD1 B:TYR249 3.8 28.7 1.0 CB B:ARG212 3.9 28.3 1.0 CA B:ALA213 3.9 28.1 1.0 OG1 B:THR256 4.0 27.8 1.0 CB B:TYR249 4.0 29.4 1.0 CB B:ALA213 4.1 30.3 1.0 CG1 B:VAL211 4.1 31.6 1.0 CA B:ARG212 4.2 29.0 1.0 C B:ARG212 4.2 24.7 1.0 CD1 B:ILE284 4.2 37.8 1.0 CG B:TYR249 4.2 29.5 1.0 CG2 B:THR256 4.4 29.2 1.0 CB B:ILE284 4.5 31.3 1.0 O B:LEU248 4.5 27.6 1.0 O B:ILE284 4.6 27.0 1.0 CB B:THR256 4.7 27.5 1.0 C B:VAL211 4.7 31.8 1.0 CE1 B:TYR249 4.7 31.5 1.0 CG1 B:ILE284 4.8 35.3 1.0 CA B:TYR249 4.9 29.9 1.0 C B:LEU248 4.9 28.1 1.0 CA B:VAL211 4.9 32.8 1.0 N B:TRP214 5.0 25.2 1.0 CB B:TRP247 5.0 25.6 1.0 NE B:ARG212 5.0 25.9 1.0

Magnesium binding site 3 out of 3 in the Bcat Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Bcat Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:36.3 occ:1.00 O B:HOH580 2.7 26.3 1.0 O B:THR256 2.7 27.8 1.0 N B:LEU263 3.0 25.9 1.0 OD1 B:ASN262 3.2 25.7 1.0 CA B:ASN262 3.3 25.3 1.0 CB B:ASN262 3.4 24.6 1.0 CG2 B:ILE285 3.7 27.9 1.0 C B:ASN262 3.7 27.7 1.0 CG B:ASN262 3.7 24.2 1.0 CG B:GLU257 3.8 33.9 1.0 C B:THR256 3.9 27.3 1.0 CD B:PRO279 3.9 26.3 1.0 CB B:LEU263 4.0 32.2 1.0 CA B:LEU263 4.0 29.3 1.0 O B:LEU263 4.1 26.3 1.0 CG B:PRO279 4.2 29.5 1.0 CD1 B:ILE285 4.2 27.7 1.0 OG1 B:THR278 4.3 26.5 1.0 CA B:GLU257 4.4 29.3 1.0 CD B:GLU257 4.4 39.7 1.0 CB B:PRO279 4.5 27.8 1.0 C B:LEU263 4.6 27.2 1.0 N B:GLU257 4.6 27.2 1.0 CB B:GLU257 4.6 31.2 1.0 N B:ASN262 4.7 23.1 1.0 CG1 B:ILE285 4.7 29.0 1.0 OE1 B:GLU257 4.8 37.7 1.0 CB B:ILE285 4.8 28.4 1.0 N B:PRO279 4.8 27.9 1.0 O B:ASN262 4.9 25.6 1.0 O B:MET261 4.9 26.5 1.0 NE B:ARG291 4.9 24.6 1.0 CA B:THR256 5.0 27.7 1.0 ND2 B:ASN262 5.0 22.6 1.0

E.S.Dare, R.H.Newman, M.E.Conway, M.Dong. Crystal Structures of the Phosphorylation Mimics of Human Cytosolic Branched Chain Aminotransferase. Arch.Biochem.Biophys. V. 770 10479 2025.
ISSN: ESSN 1096-0384
PubMed: 40414328
DOI: 10.1016/J.ABB.2025.110479