Magnesium in PDB 8ec3: The Crystal Structure of the Complement Inhibitory Domain of Borrelia Hermsii Fbpc.

The structure of The Crystal Structure of the Complement Inhibitory Domain of Borrelia Hermsii Fbpc., PDB code: 8ec3 was solved by C.E.Booth, B.L.Garcia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.28 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.239, 46.557, 45.186, 90, 110.8, 90
R / Rfree (%)	17.7 / 20

The binding sites of Magnesium atom in the The Crystal Structure of the Complement Inhibitory Domain of Borrelia Hermsii Fbpc. (pdb code 8ec3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the The Crystal Structure of the Complement Inhibitory Domain of Borrelia Hermsii Fbpc., PDB code: 8ec3:

Magnesium binding site 1 out of 1 in the The Crystal Structure of the Complement Inhibitory Domain of Borrelia Hermsii Fbpc.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of the Complement Inhibitory Domain of Borrelia Hermsii Fbpc. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:17.5 occ:1.00 O A:HOH508 2.0 35.8 1.0 OD1 A:ASP239 2.4 31.5 1.0 NE2 A:HIS351 2.4 22.0 1.0 O A:HOH565 2.6 30.6 1.0 HE1 A:HIS351 3.0 26.9 1.0 CE1 A:HIS351 3.1 22.3 1.0 CG A:ASP239 3.5 35.9 1.0 HE A:ARG238 3.6 30.1 1.0 HH21 A:ARG238 3.6 30.1 1.0 CD2 A:HIS351 3.6 22.7 1.0 OD2 A:ASP239 3.9 40.0 1.0 HD2 A:HIS351 4.0 27.3 1.0 O A:HOH590 4.0 38.9 1.0 NH2 A:ARG238 4.2 25.0 1.0 NE A:ARG238 4.3 25.0 1.0 ND1 A:HIS351 4.3 20.6 1.0 HA A:ASP239 4.4 31.5 1.0 CG A:HIS351 4.6 19.4 1.0 CZ A:ARG238 4.7 20.5 1.0 HG2 A:ARG238 4.7 31.5 1.0 CB A:ASP239 4.7 26.8 1.0 HH22 A:ARG238 4.8 30.1 1.0 CA A:ASP239 4.9 26.2 1.0 HB3 A:ARG238 4.9 28.8 1.0 OE1 A:GLU242 4.9 39.1 1.0 O A:LYS235 4.9 24.3 1.0 H A:ASP239 5.0 28.5 1.0

S.Roy, C.E.Booth, A.D.Powell-Pierce, A.M.Schulz, J.T.Skare, B.L.Garcia. "Conformational Dynamics of C1R Inhibitor Proteins From Lyme Disease and Relapsing Fever Spirochetes". Biorxiv 2023.
ISSN: ISSN 2692-8205
PubMed: 36909632
DOI: 10.1101/2023.03.01.530473