Magnesium in PDB 3if1: Crystal Structure of 237MAB in Complex with A Galnac

The structure of Crystal Structure of 237MAB in Complex with A Galnac, PDB code: 3if1 was solved by C.L.Brooks, S.V.Evans, S.N.Borisova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 2.39
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	279.350, 38.420, 95.990, 90.00, 109.11, 90.00
R / Rfree (%)	22.4 / 28.5

The structure of Crystal Structure of 237MAB in Complex with A Galnac also contains other interesting chemical elements:

Zinc

(Zn)

5 atoms

The binding sites of Magnesium atom in the Crystal Structure of 237MAB in Complex with A Galnac (pdb code 3if1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Crystal Structure of 237MAB in Complex with A Galnac, PDB code: 3if1:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Crystal Structure of 237MAB in Complex with A Galnac


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 237MAB in Complex with A Galnac within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1 b:37.5 occ:1.00 NE2 B:HIS164 2.6 36.7 1.0 ND2 A:ASN138 2.7 32.2 1.0 OD2 A:ASP167 2.9 42.0 1.0 CE1 B:HIS164 3.0 37.4 1.0 O A:HOH257 3.2 30.8 1.0 OD1 A:ASP170 3.3 28.8 1.0 CG A:ASN138 3.7 29.7 1.0 CD2 B:HIS164 3.8 35.0 1.0 OD2 A:ASP170 4.0 31.7 1.0 CG A:ASP170 4.0 29.3 1.0 CG A:ASP167 4.0 40.7 1.0 OD1 A:ASN138 4.1 43.0 1.0 OG1 A:THR172 4.2 29.3 1.0 ND1 B:HIS164 4.3 35.0 1.0 CB A:ASP167 4.4 32.9 1.0 CG B:HIS164 4.7 36.1 1.0 CB A:ASN138 4.8 25.7 1.0 OG A:SER174 4.9 31.0 1.0

Magnesium binding site 2 out of 5 in the Crystal Structure of 237MAB in Complex with A Galnac


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 237MAB in Complex with A Galnac within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg214 b:19.4 occ:1.00 OE1 A:GLN3 2.7 52.4 1.0 O A:HOH234 2.8 17.3 1.0 O A:HOH262 3.1 32.3 1.0 CD A:GLN3 3.3 38.8 1.0 ZN A:ZN222 3.3 39.8 1.0 NE2 A:GLN3 3.7 48.0 1.0 CG A:GLN3 4.4 34.9 1.0 O A:HOH243 4.9 25.3 1.0

Magnesium binding site 3 out of 5 in the Crystal Structure of 237MAB in Complex with A Galnac


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 237MAB in Complex with A Galnac within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1 b:36.4 occ:1.00 OD2 C:ASP60 2.4 44.6 1.0 MG C:MG213 3.1 38.2 1.0 CG C:ASP60 3.4 49.7 1.0 OD1 C:ASP60 3.7 49.7 1.0 CB C:ASP60 4.6 38.3 1.0

Magnesium binding site 4 out of 5 in the Crystal Structure of 237MAB in Complex with A Galnac


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 237MAB in Complex with A Galnac within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg213 b:38.2 occ:1.00 OD1 C:ASP60 3.1 49.7 1.0 MG C:MG1 3.1 36.4 1.0 CG C:ASP60 3.6 49.7 1.0 OD2 C:ASP60 3.7 44.6 1.0 CB C:ASP60 4.8 38.3 1.0

Magnesium binding site 5 out of 5 in the Crystal Structure of 237MAB in Complex with A Galnac


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of 237MAB in Complex with A Galnac within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg214 b:34.5 occ:1.00 O C:HOH235 2.6 34.5 1.0 NE2 C:HIS34 2.6 49.5 1.0 CE1 C:HIS34 2.7 48.5 1.0 O C:HOH215 2.8 35.1 1.0 CB D:ARG98 3.8 31.2 1.0 CD2 C:HIS34 3.9 40.4 1.0 ND1 C:HIS34 4.0 43.6 1.0 OG C:SER91 4.2 44.8 1.0 O D:ARG98 4.2 32.9 1.0 N D:ARG98 4.4 34.6 1.0 CG D:ARG98 4.4 38.3 1.0 CD2 C:TYR32 4.5 49.3 1.0 CB C:TYR49 4.5 31.3 1.0 CA D:ARG98 4.6 32.2 1.0 CG C:HIS34 4.6 39.3 1.0 CG1 D:VAL97 4.7 31.6 1.0 C D:ARG98 4.8 33.9 1.0 CD1 C:TYR49 4.8 32.5 1.0

C.L.Brooks, A.Schietinger, S.N.Borisova, P.Kufer, M.Okon, T.Hirama, C.R.Mackenzie, L.X.Wang, H.Schreiber, S.V.Evans. Antibody Recognition of A Unique Tumor-Specific Glycopeptide Antigen. Proc.Natl.Acad.Sci.Usa V. 107 10056 2010.
ISSN: ISSN 0027-8424
PubMed: 20479270
DOI: 10.1073/PNAS.0915176107