Manganese in PDB 3hi6: Crystal Structure of Intermediate Affinity I Domain of Integrin Lfa-1 with the Fab Fragment of Its Antibody Al-57

The structure of Crystal Structure of Intermediate Affinity I Domain of Integrin Lfa-1 with the Fab Fragment of Its Antibody Al-57, PDB code: 3hi6 was solved by H.Zhang, J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.30
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	133.780, 133.780, 161.050, 90.00, 90.00, 120.00
R / Rfree (%)	17 / 22.6

The binding sites of Manganese atom in the Crystal Structure of Intermediate Affinity I Domain of Integrin Lfa-1 with the Fab Fragment of Its Antibody Al-57 (pdb code 3hi6). 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 Intermediate Affinity I Domain of Integrin Lfa-1 with the Fab Fragment of Its Antibody Al-57, PDB code: 3hi6:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Intermediate Affinity I Domain of Integrin Lfa-1 with the Fab Fragment of Its Antibody Al-57


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 Intermediate Affinity I Domain of Integrin Lfa-1 with the Fab Fragment of Its Antibody Al-57 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1 b:29.7 occ:1.00 O A:HOH4 2.0 24.4 1.0 OG A:SER139 2.1 15.1 1.0 OD2 H:ASP101 2.1 14.2 1.0 O H:HOH223 2.1 13.3 1.0 OG A:SER141 2.2 16.3 1.0 OG1 A:THR206 2.2 14.1 1.0 CB A:SER139 3.0 14.6 1.0 CG H:ASP101 3.0 14.3 1.0 CB A:SER141 3.1 16.2 1.0 OD1 H:ASP101 3.3 15.3 1.0 CB A:THR206 3.4 12.5 1.0 CG2 A:THR206 3.6 10.1 1.0 OD1 A:ASP239 3.9 17.4 1.0 O A:HOH95 4.0 28.4 1.0 OD1 A:ASP137 4.0 16.6 1.0 N A:SER141 4.0 14.2 1.0 OD2 A:ASP137 4.1 16.9 1.0 CA A:SER141 4.2 15.8 1.0 O H:ASP101 4.2 13.0 1.0 OD2 A:ASP239 4.2 16.0 1.0 CA A:SER139 4.3 14.6 1.0 CB H:ASP101 4.4 14.8 1.0 CG A:ASP239 4.5 16.1 1.0 CG A:ASP137 4.5 18.5 1.0 CD1 A:LEU142 4.5 19.8 1.0 C A:SER139 4.5 15.4 1.0 CA A:THR206 4.6 11.9 1.0 N A:MET140 4.8 14.2 1.0 N A:THR206 4.8 11.0 1.0 O A:LEU205 4.9 11.7 1.0 C A:LEU205 5.0 10.7 1.0 N A:LEU142 5.0 17.4 1.0 C A:SER141 5.0 16.0 1.0 O A:SER139 5.0 14.9 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Intermediate Affinity I Domain of Integrin Lfa-1 with the Fab Fragment of Its Antibody Al-57


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 Intermediate Affinity I Domain of Integrin Lfa-1 with the Fab Fragment of Its Antibody Al-57 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn2 b:29.3 occ:1.00 OD2 X:ASP101 2.1 17.9 1.0 O B:HOH1 2.1 26.6 1.0 OG1 B:THR206 2.2 15.0 1.0 OG B:SER141 2.2 14.8 1.0 OG B:SER139 2.2 10.1 1.0 O X:HOH222 2.2 23.4 1.0 CG X:ASP101 3.0 18.9 1.0 CB B:SER141 3.1 14.2 1.0 CB B:SER139 3.2 9.8 1.0 OD1 X:ASP101 3.4 18.9 1.0 CB B:THR206 3.4 14.6 1.0 CG2 B:THR206 3.6 13.5 1.0 O B:HOH318 4.0 31.6 1.0 OD1 B:ASP239 4.0 19.3 1.0 N B:SER141 4.0 13.9 1.0 OD1 B:ASP137 4.1 13.7 1.0 CA B:SER141 4.2 14.6 1.0 O X:ASP101 4.2 18.2 1.0 OD2 B:ASP137 4.2 15.5 1.0 OD2 B:ASP239 4.3 20.0 1.0 CB X:ASP101 4.3 19.6 1.0 CA B:SER139 4.5 10.9 1.0 CA B:THR206 4.5 15.3 1.0 CG B:ASP239 4.6 18.7 1.0 C B:SER139 4.6 12.0 1.0 CG B:ASP137 4.6 13.9 1.0 N B:THR206 4.8 14.8 1.0 CD1 B:LEU142 4.8 16.4 1.0 O B:LEU205 4.9 16.1 1.0 C B:LEU205 4.9 13.3 1.0 N B:MET140 4.9 11.9 1.0 O B:SER139 5.0 11.8 1.0

H.Zhang, J.H.Liu, W.Yang, T.Springer, M.Shimaoka, J.H.Wang. Structural Basis of Activation-Dependent Binding of Ligand-Mimetic Antibody Al-57 to Integrin Lfa-1. Proc.Natl.Acad.Sci.Usa V. 106 18345 2009.
ISSN: ISSN 0027-8424
PubMed: 19805116
DOI: 10.1073/PNAS.0909301106