Magnesium in PDB 4h0i: Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside

The structure of Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside, PDB code: 4h0i was solved by S.Tapryal, V.Gaur, K.J.Kaur, D.M.Salunke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.00 / 2.40
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.270, 80.270, 75.100, 90.00, 90.00, 120.00
R / Rfree (%)	22.9 / 24

The binding sites of Magnesium atom in the Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside (pdb code 4h0i). 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 Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside, PDB code: 4h0i:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside


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 Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:30.5 occ:1.00 N A:ASN172 3.8 34.7 1.0 CA A:ASN172 3.8 34.7 1.0 C A:SER171 3.9 43.8 1.0 CB A:SER171 4.0 68.4 1.0 O A:SER171 4.1 43.8 1.0 CB A:ASN172 4.2 45.1 1.0 CA A:SER171 4.6 43.8 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside


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 Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:30.5 occ:1.00 NZ A:LYS66 3.2 36.5 1.0 O A:HOH2049 3.5 30.5 1.0 N A:TYR61 3.6 26.7 1.0 CE A:LYS66 4.0 36.5 1.0 CA A:SER60 4.0 29.8 1.0 C A:SER60 4.3 29.8 1.0 O A:TYR61 4.4 26.7 1.0 O A:HOH2051 4.4 42.4 1.0 CD1 A:TYR61 4.4 24.1 1.0 CD A:LYS66 4.5 36.5 1.0 CA A:TYR61 4.6 26.7 1.0 CB A:SER60 4.7 34.2 1.0 CB A:TYR61 4.7 24.1 1.0 O A:THR59 4.9 22.5 1.0 C A:TYR61 4.9 26.7 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside


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 Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:31.2 occ:1.00 O A:HOH2051 3.9 42.4 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside


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 Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg305 b:31.2 occ:0.50 O A:HOH2073 3.4 27.5 1.0 OD1 A:ASN174 3.6 47.4 1.0 CG A:ASN174 4.7 47.4 1.0

S.Tapryal, V.Gaur, K.J.Kaur, D.M.Salunke. Structural Evaluation of A Mimicry-Recognizing Paratope: Plasticity in Antigen-Antibody Interactions Manifests in Molecular Mimicry. J.Immunol. V. 191 456 2013.
ISSN: ISSN 0022-1767
PubMed: 23733869
DOI: 10.4049/JIMMUNOL.1203260