Magnesium in PDB 3akm: X-Ray Structure of Ifabp From Human and Rat with Bound Fluorescent Fatty Acid Analogue

The structure of X-Ray Structure of Ifabp From Human and Rat with Bound Fluorescent Fatty Acid Analogue, PDB code: 3akm was solved by J.Wielens, A.J.K.Laguerre, M.W.Parker, M.J.Scanlon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.48 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.020, 79.011, 63.240, 90.00, 94.48, 90.00
R / Rfree (%)	22.6 / 27.9

The binding sites of Magnesium atom in the X-Ray Structure of Ifabp From Human and Rat with Bound Fluorescent Fatty Acid Analogue (pdb code 3akm). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the X-Ray Structure of Ifabp From Human and Rat with Bound Fluorescent Fatty Acid Analogue, PDB code: 3akm:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the X-Ray Structure of Ifabp From Human and Rat with Bound Fluorescent Fatty Acid Analogue


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Structure of Ifabp From Human and Rat with Bound Fluorescent Fatty Acid Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg133 b:26.9 occ:1.00 NE2 A:GLN115 3.3 17.3 1.0 NH2 A:ARG106 3.7 18.0 1.0 OH A:TYR117 3.7 26.1 1.0 C22 A:11D132 3.8 21.4 1.0 O A:HOH159 3.9 17.4 1.0 CD A:GLN115 4.0 16.0 1.0 C20 A:11D132 4.0 21.6 1.0 OE1 A:GLN115 4.0 15.2 1.0 O A:HOH144 4.2 17.9 1.0 CE1 A:TYR117 4.2 28.4 1.0 C26 A:11D132 4.4 20.5 1.0 CZ A:TYR117 4.4 27.7 1.0 C21 A:11D132 4.5 19.9 1.0 OE2 A:GLU51 4.6 27.2 1.0 O29 A:11D132 4.8 31.0 1.0 C24 A:11D132 4.8 22.3 1.0 CZ A:ARG106 4.8 17.6 1.0 OH A:TYR70 4.9 15.1 1.0 C23 A:11D132 4.9 23.0 1.0

Magnesium binding site 2 out of 4 in the X-Ray Structure of Ifabp From Human and Rat with Bound Fluorescent Fatty Acid Analogue


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Structure of Ifabp From Human and Rat with Bound Fluorescent Fatty Acid Analogue within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg133 b:33.3 occ:1.00 NE2 B:GLN115 3.7 13.9 1.0 NH2 B:ARG106 3.8 18.7 1.0 OH B:TYR117 3.8 26.0 1.0 OE1 B:GLN115 3.8 19.8 1.0 C22 B:11D132 3.9 20.9 1.0 O B:HOH152 4.1 23.2 1.0 CD B:GLN115 4.1 14.8 1.0 C20 B:11D132 4.4 21.3 1.0 CE1 B:TYR117 4.4 21.7 1.0 OE2 B:GLU51 4.5 28.6 1.0 CZ B:TYR117 4.6 23.5 1.0 C25 B:11D132 4.6 21.6 1.0 C21 B:11D132 4.6 20.9 1.0 CD2 B:LEU36 4.7 13.4 1.0 CZ B:ARG106 4.9 20.6 1.0 CD B:GLU51 4.9 26.5 1.0 C23 B:11D132 5.0 22.3 1.0

Magnesium binding site 3 out of 4 in the X-Ray Structure of Ifabp From Human and Rat with Bound Fluorescent Fatty Acid Analogue


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of X-Ray Structure of Ifabp From Human and Rat with Bound Fluorescent Fatty Acid Analogue within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg133 b:25.3 occ:1.00 NE2 C:GLN115 3.6 17.6 1.0 NH2 C:ARG106 3.7 12.8 1.0 C20 C:11D132 3.9 41.1 1.0 C23 C:11D132 3.9 37.9 1.0 OH C:TYR117 3.9 22.2 1.0 OE1 C:GLN115 4.0 21.1 1.0 O C:HOH148 4.1 18.1 1.0 CD C:GLN115 4.1 15.0 1.0 C22 C:11D132 4.1 39.2 1.0 CE1 C:TYR117 4.2 26.8 1.0 C25 C:11D132 4.4 34.4 1.0 O C:HOH145 4.4 16.1 1.0 O30 C:11D132 4.4 37.3 1.0 CZ C:TYR117 4.5 26.3 1.0 C21 C:11D132 4.5 39.8 1.0 C24 C:11D132 4.5 34.9 1.0 OE2 C:GLU51 4.7 24.5 1.0 CZ C:ARG106 4.8 13.7 1.0 C19 C:11D132 4.9 41.2 1.0

Magnesium binding site 4 out of 4 in the X-Ray Structure of Ifabp From Human and Rat with Bound Fluorescent Fatty Acid Analogue


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of X-Ray Structure of Ifabp From Human and Rat with Bound Fluorescent Fatty Acid Analogue within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg133 b:26.4 occ:1.00 OH D:TYR117 3.4 28.6 1.0 NE2 D:GLN115 3.5 21.8 1.0 C22 D:11D132 3.9 23.5 1.0 NH2 D:ARG106 3.9 14.4 1.0 CE1 D:TYR117 4.0 25.2 1.0 CD D:GLN115 4.0 23.2 1.0 OE1 D:GLN115 4.0 25.9 1.0 C25 D:11D132 4.1 23.2 1.0 CZ D:TYR117 4.1 27.8 1.0 C21 D:11D132 4.2 24.3 1.0 O D:HOH148 4.3 10.7 1.0 C23 D:11D132 4.4 21.9 1.0 C19 D:11D132 4.4 21.8 1.0 OE2 D:GLU51 4.5 26.5 1.0 O D:HOH144 4.6 14.0 1.0 O30 D:11D132 4.7 23.3 1.0 C24 D:11D132 4.8 20.1 1.0 CZ D:ARG106 4.9 15.3 1.0 C20 D:11D132 5.0 23.4 1.0

A.J.K.Laguerre, J.Wielens, M.W.Parker, C.J.Porter, M.J.Scanlon. Crystal Structures of Human and Rat Intestinal Fatty Acid Binding Proteins in Complex with 11-(Dansylamino)Undecanoic Acid To Be Published.