Manganese in PDB 1mq9: Crystal Structure of High Affinity Alphal I Domain with Ligand Mimetic Crystal Contact

The structure of Crystal Structure of High Affinity Alphal I Domain with Ligand Mimetic Crystal Contact, PDB code: 1mq9 was solved by M.Shimaoka, T.Xiao, J.-H.Liu, Y.Yang, Y.Dong, C.-D.Jun, A.Mccormack, R.Zhang, A.Joachimiak, J.Takagi, J.-H.Wang, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.88 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	35.546, 35.546, 269.626, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 26.5

The binding sites of Manganese atom in the Crystal Structure of High Affinity Alphal I Domain with Ligand Mimetic Crystal Contact (pdb code 1mq9). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of High Affinity Alphal I Domain with Ligand Mimetic Crystal Contact, PDB code: 1mq9:

Manganese binding site 1 out of 1 in the Crystal Structure of High Affinity Alphal I Domain with Ligand Mimetic Crystal Contact


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 High Affinity Alphal I Domain with Ligand Mimetic Crystal Contact within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn901 b:13.9 occ:1.00 O A:HOH62 2.0 14.0 1.0 O A:HOH26 2.1 16.8 1.0 OG A:SER141 2.2 9.6 1.0 OG A:SER139 2.2 13.7 1.0 OG1 A:THR206 2.3 17.2 1.0 CB A:SER141 3.1 13.8 1.0 CB A:SER139 3.2 11.7 1.0 CB A:THR206 3.5 14.4 1.0 CG2 A:THR206 3.8 8.9 1.0 N A:SER141 4.0 13.5 1.0 CA A:SER141 4.1 13.2 1.0 O A:HOH83 4.3 40.2 1.0 OD2 A:ASP137 4.3 13.2 1.0 OD1 A:ASP137 4.3 14.7 1.0 OD1 A:ASP239 4.4 31.9 1.0 OE2 A:GLU241 4.4 40.3 0.5 OD2 A:ASP239 4.5 32.3 1.0 CA A:SER139 4.5 12.3 1.0 O A:GLU241 4.6 40.0 1.0 CD2 A:LEU142 4.6 20.9 1.0 CG A:GLU241 4.7 39.3 0.5 CA A:THR206 4.7 13.9 1.0 C A:SER139 4.7 11.9 1.0 N A:THR206 4.8 13.2 1.0 CG A:ASP137 4.8 14.6 1.0 CG A:ASP239 4.8 31.9 1.0 N A:MET140 4.9 11.1 1.0 C A:SER141 5.0 16.1 1.0

M.Shimaoka, T.Xiao, J.-H.Liu, Y.Yang, Y.Dong, C.-D.Jun, A.Mccormack, R.Zhang, A.Joachimiak, J.Takagi, J.-H.Wang, T.A.Springer. Structures of the Al I Domain and Its Complex with Icam-1 Reveal A Shape-Shifting Pathway For Integrin Regulation Cell(Cambridge,Mass.) V. 112 99 2003.
ISSN: ISSN 0092-8674
PubMed: 12526797
DOI: 10.1016/S0092-8674(02)01257-6