Magnesium in PDB 2xwb: Crystal Structure of Complement C3B in Complex with Factors B and D

All present enzymatic activity of Crystal Structure of Complement C3B in Complex with Factors B and D:
3.4.21.46; 3.4.21.47;

The structure of Crystal Structure of Complement C3B in Complex with Factors B and D, PDB code: 2xwb was solved by F.Forneris, D.Ricklin, J.Wu, A.Tzekou, R.S.Wallace, J.D.Lambris, P.Gros, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.95 / 3.49
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	108.275, 135.775, 149.975, 95.47, 110.69, 113.39
R / Rfree (%)	18.9 / 24.4

The binding sites of Magnesium atom in the Crystal Structure of Complement C3B in Complex with Factors B and D (pdb code 2xwb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Complement C3B in Complex with Factors B and D, PDB code: 2xwb:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Complement C3B in Complex with Factors B and D


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Complement C3B in Complex with Factors B and D within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1645 b:0.8 occ:1.00 OD1 A:ASP535 2.1 0.2 1.0 OD1 A:ASP532 2.1 0.3 1.0 OD2 A:ASP532 2.1 0.5 1.0 O A:VAL533 2.1 0.1 1.0 OD2 A:ASP535 2.1 0.2 1.0 CG A:ASP535 2.2 1.0 1.0 CG A:ASP532 2.3 0.2 1.0 C A:VAL533 3.2 0.8 1.0 N A:VAL533 3.4 0.4 1.0 O A:PRO505 3.5 0.2 1.0 CB A:ASP535 3.5 0.0 1.0 N A:ASP535 3.6 0.6 1.0 CB A:ASP532 3.8 0.7 1.0 CA A:VAL533 3.9 0.6 1.0 CA A:ASP535 4.0 0.2 1.0 C A:ASP532 4.1 0.7 1.0 N A:LYS534 4.3 0.5 1.0 CA A:ASP532 4.3 0.6 1.0 C A:PRO505 4.3 0.2 1.0 C A:LYS534 4.4 1.0 1.0 CA A:LYS534 4.6 0.1 1.0 CB A:PRO505 4.6 0.0 1.0 CA A:PRO505 4.7 0.9 1.0 CB A:VAL533 4.9 0.5 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Complement C3B in Complex with Factors B and D


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Complement C3B in Complex with Factors B and D within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1645 b:0.2 occ:1.00 OD1 C:ASP535 2.1 0.1 1.0 OD1 C:ASP532 2.1 0.8 1.0 OD2 C:ASP532 2.1 0.1 1.0 OD2 C:ASP535 2.1 0.0 1.0 O C:VAL533 2.1 0.6 1.0 CG C:ASP535 2.2 0.6 1.0 CG C:ASP532 2.3 0.9 1.0 C C:VAL533 3.2 0.3 1.0 N C:VAL533 3.5 0.3 1.0 CB C:ASP535 3.5 0.2 1.0 N C:ASP535 3.5 0.6 1.0 O C:PRO505 3.5 0.9 1.0 CB C:ASP532 3.8 0.3 1.0 CA C:VAL533 4.0 0.9 1.0 CA C:ASP535 4.0 0.3 1.0 C C:ASP532 4.2 0.4 1.0 N C:LYS534 4.3 0.9 1.0 CA C:ASP532 4.3 0.4 1.0 C C:PRO505 4.4 0.1 1.0 C C:LYS534 4.4 0.7 1.0 CA C:LYS534 4.5 0.8 1.0 CB C:PRO505 4.7 0.3 1.0 CA C:PRO505 4.8 0.1 1.0 CB C:VAL533 4.9 0.8 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Complement C3B in Complex with Factors B and D


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Complement C3B in Complex with Factors B and D within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg1742 b:67.4 occ:1.00 O F:HOH2002 2.1 48.5 1.0 OG1 F:THR328 2.1 61.7 1.0 O F:HOH2001 2.1 60.2 1.0 OG F:SER253 2.1 83.5 1.0 OG F:SER255 2.1 39.4 1.0 CB F:SER253 2.8 65.6 1.0 CG2 F:THR328 2.8 33.9 1.0 OXT B:ASN1641 2.9 93.8 1.0 CB F:THR328 3.0 69.6 1.0 CB F:SER255 3.2 67.8 1.0 C B:ASN1641 3.6 0.5 1.0 O B:ASN1641 3.7 99.5 1.0 O F:LEU366 3.8 87.3 1.0 CA F:THR328 4.1 58.9 1.0 N F:SER255 4.1 91.2 1.0 CA F:SER253 4.2 77.8 1.0 CA F:SER255 4.2 69.3 1.0 OD2 F:ASP364 4.2 72.1 1.0 O F:GLY327 4.4 83.2 1.0 OD2 F:ASP251 4.5 53.5 1.0 OD1 F:ASP364 4.5 86.4 1.0 C F:SER253 4.6 94.9 1.0 N F:THR328 4.6 52.7 1.0 N F:GLY254 4.7 72.5 1.0 C F:GLY327 4.7 61.7 1.0 CA B:ASN1641 4.8 0.7 1.0 CG F:ASP364 4.8 97.5 1.0 OD1 F:ASP251 4.9 0.3 1.0 C F:SER255 5.0 71.8 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Complement C3B in Complex with Factors B and D


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Complement C3B in Complex with Factors B and D within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg1742 b:0.6 occ:1.00 O H:HOH2001 2.1 40.2 1.0 OG1 H:THR328 2.1 52.7 1.0 O H:HOH2002 2.1 60.7 1.0 OG H:SER253 2.1 82.5 1.0 OG H:SER255 2.1 45.2 1.0 OXT D:ASN1641 2.7 78.0 1.0 CG2 H:THR328 2.7 34.7 1.0 CB H:SER253 2.7 66.1 1.0 CB H:THR328 2.9 66.9 1.0 CB H:SER255 3.3 72.9 1.0 C D:ASN1641 3.3 91.8 1.0 O D:ASN1641 3.5 95.3 1.0 O H:LEU366 3.8 83.9 1.0 CA H:THR328 4.0 55.4 1.0 N H:SER255 4.1 87.9 1.0 CA H:SER253 4.2 70.1 1.0 OD2 H:ASP364 4.3 70.2 1.0 CA H:SER255 4.3 58.4 1.0 OD2 H:ASP251 4.5 52.2 1.0 OD1 H:ASP364 4.5 90.9 1.0 O H:GLY327 4.5 84.9 1.0 CA D:ASN1641 4.5 96.1 1.0 N H:THR328 4.6 42.5 1.0 C H:SER253 4.6 90.0 1.0 C H:GLY327 4.7 57.2 1.0 N H:GLY254 4.8 74.1 1.0 CG H:ASP364 4.8 93.5 1.0 OD1 H:ASP251 4.9 0.1 1.0 C H:LEU366 5.0 63.8 1.0

F.Forneris, D.Ricklin, J.Wu, A.Tzekou, R.S.Wallace, J.D.Lambris, P.Gros. Structures of C3B in Complex with Factors B and D Give Insight Into Complement Convertase Formation. Science V. 330 1816 2010.
ISSN: ISSN 0036-8075
PubMed: 21205667
DOI: 10.1126/SCIENCE.1195821