Manganese in PDB 1mhp: Crystal Structure of A Chimeric ALPHA1 Integrin I-Domain in Complex with the Fab Fragment of A Humanized Neutralizing Antibody

The structure of Crystal Structure of A Chimeric ALPHA1 Integrin I-Domain in Complex with the Fab Fragment of A Humanized Neutralizing Antibody, PDB code: 1mhp was solved by M.Karpusas, F.Taylor, J.Ferrant, P.Weinreb, E.Garber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 2.80
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	255.090, 255.090, 38.640, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Manganese atom in the Crystal Structure of A Chimeric ALPHA1 Integrin I-Domain in Complex with the Fab Fragment of A Humanized Neutralizing Antibody (pdb code 1mhp). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of A Chimeric ALPHA1 Integrin I-Domain in Complex with the Fab Fragment of A Humanized Neutralizing Antibody, PDB code: 1mhp:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of A Chimeric ALPHA1 Integrin I-Domain in Complex with the Fab Fragment of A Humanized Neutralizing Antibody


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 A Chimeric ALPHA1 Integrin I-Domain in Complex with the Fab Fragment of A Humanized Neutralizing Antibody within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn400 b:34.2 occ:1.00 OG A:SER156 2.3 36.4 1.0 OG A:SER158 2.3 28.9 1.0 OD1 H:ASP101 2.3 13.1 1.0 OG1 A:THR224 2.4 15.0 1.0 CG H:ASP101 3.3 13.1 1.0 CB A:SER156 3.3 33.5 1.0 OD2 H:ASP101 3.5 13.1 1.0 OD1 A:ASP257 3.5 27.7 1.0 CB A:SER158 3.6 26.2 1.0 CB A:THR224 3.6 15.0 1.0 CG2 A:THR224 3.7 11.3 1.0 OD2 A:ASP154 3.7 18.2 1.0 OD1 A:ASP154 4.1 25.4 1.0 CG A:ASP154 4.4 21.9 1.0 N A:SER158 4.4 16.0 1.0 CA A:SER158 4.5 14.2 1.0 CA A:SER156 4.6 24.3 1.0 CA A:GLY258 4.6 44.8 1.0 CG A:ASP257 4.7 27.2 1.0 CA A:THR224 4.7 22.3 1.0 N A:GLY258 4.7 42.4 1.0 CB H:ASP101 4.7 13.1 1.0 C A:SER156 4.8 21.3 1.0 N H:ASP101 4.9 7.9 1.0 N A:ILE159 4.9 8.3 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of A Chimeric ALPHA1 Integrin I-Domain in Complex with the Fab Fragment of A Humanized Neutralizing Antibody


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of A Chimeric ALPHA1 Integrin I-Domain in Complex with the Fab Fragment of A Humanized Neutralizing Antibody within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn400 b:34.2 occ:1.00 OG B:SER158 2.3 17.8 1.0 OG B:SER156 2.3 25.6 1.0 OG1 B:THR224 2.4 7.1 1.0 OD1 X:ASP101 2.6 32.2 1.0 OD2 X:ASP101 3.1 32.2 1.0 CG X:ASP101 3.2 32.2 1.0 CB B:SER156 3.2 22.7 1.0 CB B:SER158 3.5 15.1 1.0 CB B:THR224 3.6 7.1 1.0 OD1 B:ASP257 3.7 35.0 1.0 CG2 B:THR224 3.8 4.7 1.0 OD2 B:ASP154 4.0 29.6 1.0 N B:SER158 4.3 20.0 1.0 OD1 B:ASP154 4.3 36.8 1.0 CA B:SER158 4.5 18.2 1.0 CA B:SER156 4.5 35.0 1.0 CG B:ASP154 4.6 33.2 1.0 CB X:ASP101 4.6 32.2 1.0 CA B:THR224 4.6 54.8 1.0 C B:SER156 4.7 32.0 1.0 CA B:GLY258 4.8 28.8 1.0 CG B:ASP257 4.9 34.6 1.0 O B:GLN223 4.9 33.2 1.0 N B:GLY258 5.0 26.3 1.0 N B:ILE159 5.0 19.6 1.0 O B:SER156 5.0 35.2 1.0

M.Karpusas, J.Ferrant, P.Weinreb, A.Carmillo, F.Taylor, E.Garber. Crystal Structure of the Alpha 1 Beta 1 Integrin I Domain in Complex with An Antibody Fab Fragment J.Mol.Biol. V. 327 1031 2003.
ISSN: ISSN 0022-2836
PubMed: 12662928
DOI: 10.1016/S0022-2836(03)00203-1